NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8652 |
1mm3   |
5556 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 48 and name HD1 ))
(( segid " " and resid 48 and name HE1 ))
2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.28424E-01 ppm1 7.287 ppm2 9.820 CV 1
ASSI { 3}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.41595E-02 ppm1 4.582 ppm2 9.839 CV 1
ASSI { 4}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
3.100 1.200 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.27890E-02 ppm1 3.532 ppm2 9.223 CV 1
ASSI { 5}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.600 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.65099E-02 ppm1 3.786 ppm2 9.207 CV 1
ASSI { 6}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HD1%)
5.300 3.500 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.10005E-03 ppm1 3.786 ppm2 0.580 CV 1
ASSI { 7}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG2%)
2.100 0.600 0.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.24553E-01 ppm1 3.786 ppm2 0.788 CV 1
ASSI { 8}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HB2 ))
2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.21784E-01 ppm1 4.270 ppm2 3.744 CV 1
ASSI { 9}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
3.200 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.21781E-02 ppm1 4.422 ppm2 3.742 CV 1
ASSI { 10}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HA ))
6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.270 ppm2 4.424 CV 1
ASSI { 11}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.421 ppm2 9.175 CV 1
ASSI { 12}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.58624E-02 ppm1 4.270 ppm2 9.175 CV 1
ASSI { 13}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.743 ppm2 9.175 CV 1
ASSI { 14}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HN ))
3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.22370E-02 ppm1 4.508 ppm2 9.122 CV 1
ASSI { 15}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HN ))
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.43685E-02 ppm1 3.209 ppm2 9.122 CV 1
ASSI { 16}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HN ))
3.000 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.28376E-02 ppm1 3.032 ppm2 9.122 CV 1
ASSI { 17}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HB2 ))
6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.213 ppm2 3.026 CV 1
ASSI { 18}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.21836E-02 ppm1 4.513 ppm2 3.024 CV 1
ASSI { 19}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB3 ))
6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.513 ppm2 3.205 CV 1
ASSI { 20}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.346 ppm2 9.109 CV 1
ASSI { 21}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.12965E-01 ppm1 1.122 ppm2 9.111 CV 1
ASSI { 22}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.903 ppm2 9.109 CV 1
ASSI { 23}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.12975E-02 ppm1 0.806 ppm2 9.109 CV 1
ASSI { 24}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HN ))
4.500 2.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.27479E-03 ppm1 0.292 ppm2 9.111 CV 1
ASSI { 25}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HN ))
3.400 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 -0.456 ppm2 9.111 CV 1
ASSI { 26}
( segid " " and resid 22 and name HD2%)
( segid " " and resid 22 and name HD1%)
2.000 0.500 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.31868E-01 ppm1 0.291 ppm2 -0.456 CV 1
ASSI { 27}
(( segid " " and resid 22 and name HG ))
( segid " " and resid 22 and name HD1%)
2.100 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.24950E-01 ppm1 0.808 ppm2 -0.459 CV 1
ASSI { 28}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 22 and name HD1%)
2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.10810E-01 ppm1 0.905 ppm2 -0.456 CV 1
ASSI { 29}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 22 and name HD1%)
2.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.72637E-02 ppm1 1.120 ppm2 -0.459 CV 1
ASSI { 30}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 22 and name HD2%)
3.300 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.17083E-02 ppm1 1.124 ppm2 0.284 CV 1
ASSI { 31}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HG ))
6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.120 ppm2 0.809 CV 1
ASSI { 32}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HB2 ))
2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.87747E-02 ppm1 1.120 ppm2 0.886 CV 1
ASSI { 33}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 22 and name HD2%)
2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.13414E-01 ppm1 0.905 ppm2 0.287 CV 1
ASSI { 34}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
6.000 4.500 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 1.115 CV 1
ASSI { 35}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 0.908 CV 1
ASSI { 36}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG ))
6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.350 ppm2 0.809 CV 1
ASSI { 38}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HD1%)
5.100 3.200 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.13054E-03 ppm1 4.345 ppm2 -0.461 CV 1
ASSI { 39}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
3.600 1.700 1.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.96552E-03 ppm1 5.529 ppm2 9.100 CV 1
ASSI { 40}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
4.800 2.800 1.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19256E-03 ppm1 2.970 ppm2 9.100 CV 1
ASSI { 41}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.40875E-02 ppm1 2.412 ppm2 9.097 CV 1
ASSI { 42}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
2.000 0.500 0.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.39231E-01 ppm1 2.968 ppm2 2.416 CV 1
ASSI { 43}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.23182E-02 ppm1 5.524 ppm2 2.967 CV 1
ASSI { 44}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
4.200 2.200 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.40362E-03 ppm1 5.527 ppm2 2.413 CV 1
ASSI { 45}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.48139E-02 ppm1 4.861 ppm2 9.077 CV 1
ASSI { 46}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.80860E-02 ppm1 2.803 ppm2 9.077 CV 1
ASSI { 47}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.715 ppm2 9.077 CV 1
ASSI { 48}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.863 ppm2 2.804 CV 1
ASSI { 49}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.863 ppm2 2.714 CV 1
ASSI { 50}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.40807E-02 ppm1 3.996 ppm2 8.839 CV 1
ASSI { 51}
(( segid " " and resid 14 and name HB ))
(( segid " " and resid 14 and name HN ))
2.300 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14085E-01 ppm1 2.296 ppm2 8.840 CV 1
ASSI { 52}
( segid " " and resid 14 and name HG2%)
(( segid " " and resid 14 and name HN ))
2.300 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17032E-01 ppm1 1.288 ppm2 8.839 CV 1
ASSI { 53}
( segid " " and resid 14 and name HG1%)
(( segid " " and resid 14 and name HN ))
3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.12979E-02 ppm1 1.123 ppm2 8.840 CV 1
ASSI { 54}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB ))
6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.998 ppm2 2.297 CV 1
ASSI { 55}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HG2%)
6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.998 ppm2 1.286 CV 1
ASSI { 56}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HG1%)
6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.998 ppm2 1.123 CV 1
ASSI { 57}
(( segid " " and resid 14 and name HB ))
( segid " " and resid 14 and name HG2%)
2.300 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.16991E-01 ppm1 2.296 ppm2 1.284 CV 1
ASSI { 58}
(( segid " " and resid 14 and name HB ))
( segid " " and resid 14 and name HG1%)
2.300 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.13479E-01 ppm1 2.295 ppm2 1.123 CV 1
ASSI { 60}
( segid " " and resid 14 and name HG2%)
( segid " " and resid 14 and name HG1%)
6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.286 ppm2 1.125 CV 1
ASSI { 63}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
3.900 1.900 1.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.60816E-03 ppm1 4.107 ppm2 8.794 CV 1
ASSI { 64}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
5.100 3.200 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13123E-03 ppm1 1.813 ppm2 8.793 CV 1
ASSI { 65}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
6.000 4.500 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.106 ppm2 1.813 CV 1
ASSI { 66}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.196 ppm2 8.774 CV 1
ASSI { 68}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.193 ppm2 8.774 CV 1
ASSI { 69}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.056 ppm2 8.774 CV 1
ASSI { 70}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.020 ppm2 8.772 CV 1
ASSI { 71}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.198 ppm2 2.247 CV 1
ASSI { 72}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.198 ppm2 2.196 CV 1
ASSI { 73}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.200 ppm2 2.058 CV 1
ASSI { 74}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.200 ppm2 2.023 CV 1
ASSI { 75}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.827 ppm2 8.742 CV 1
ASSI { 76}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.64996E-02 ppm1 3.274 ppm2 8.742 CV 1
ASSI { 77}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
4.000 2.000 2.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.51086E-03 ppm1 2.669 ppm2 8.742 CV 1
ASSI { 79}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.831 ppm2 3.275 CV 1
ASSI { 80}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.831 ppm2 2.669 CV 1
ASSI { 81}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.899 ppm2 8.669 CV 1
ASSI { 82}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.57904E-02 ppm1 1.423 ppm2 8.672 CV 1
OR { 82}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
ASSI { 83}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HD3 ))
6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.910 ppm2 3.262 CV 1
ASSI { 85}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HD2 ))
6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.267 ppm2 3.130 CV 1
ASSI { 87}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HG2 ))
3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15871E-02 ppm1 3.908 ppm2 1.615 CV 1
ASSI { 88}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.900 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.38648E-02 ppm1 3.910 ppm2 1.417 CV 1
OR { 88}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 89}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HG3 ))
6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.275 ppm2 1.706 CV 1
ASSI { 90}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HG3 ))
6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.135 ppm2 1.706 CV 1
ASSI { 91}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HG2 ))
6.000 4.500 0.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.267 ppm2 1.618 CV 1
ASSI { 92}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HB3 ))
6.000 4.500 0.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.271 ppm2 1.420 CV 1
OR { 92}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 93}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HG2 ))
6.000 4.500 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.131 ppm2 1.614 CV 1
ASSI { 94}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HB3 ))
6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.135 ppm2 1.420 CV 1
OR { 94}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 98}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.292 ppm2 8.585 CV 1
ASSI { 99}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
6.000 4.500 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.083 ppm2 8.585 CV 1
ASSI { 101}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
6.000 4.500 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.982 ppm2 8.585 CV 1
ASSI { 102}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.558 ppm2 8.662 CV 1
ASSI { 103}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 4.192 ppm2 8.640 CV 1
ASSI { 104}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.26958E-02 ppm1 2.586 ppm2 8.643 CV 1
ASSI { 105}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.861 ppm2 8.643 CV 1
ASSI { 106}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HB3 ))
2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.58761E-02 ppm1 2.585 ppm2 1.862 CV 1
ASSI { 107}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.192 ppm2 1.860 CV 1
ASSI { 108}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG3 ))
2.900 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 4.194 ppm2 2.584 CV 1
ASSI { 109}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.873 ppm2 8.604 CV 1
ASSI { 110}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.958 ppm2 8.604 CV 1
ASSI { 111}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 43 and name HN ))
2.100 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.26146E-01 ppm1 0.902 ppm2 8.606 CV 1
OR { 111}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HN ))
ASSI { 112}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HG2%)
1.800 0.400 0.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.60302E-01 ppm1 1.948 ppm2 0.901 CV 1
OR { 112}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HG1%)
ASSI { 113}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2%)
2.100 0.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.25724E-01 ppm1 3.869 ppm2 0.900 CV 1
OR { 113}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG1%)
ASSI { 114}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.44507E-02 ppm1 3.867 ppm2 1.947 CV 1
ASSI { 117}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.487 ppm2 8.502 CV 1
ASSI { 118}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.159 ppm2 8.499 CV 1
ASSI { 119}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
3.300 1.400 1.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.16210E-02 ppm1 2.815 ppm2 8.500 CV 1
ASSI { 120}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HB2 ))
6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.157 ppm2 2.809 CV 1
ASSI { 121}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB3 ))
6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.489 ppm2 3.160 CV 1
ASSI { 122}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.900 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.40190E-02 ppm1 4.489 ppm2 2.810 CV 1
ASSI { 123}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.826 ppm2 8.461 CV 1
ASSI { 124}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.900 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.35702E-02 ppm1 2.284 ppm2 8.461 CV 1
ASSI { 125}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12640E-02 ppm1 1.768 ppm2 8.461 CV 1
ASSI { 126}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.500 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.275 ppm2 1.767 CV 1
ASSI { 127}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.828 ppm2 2.274 CV 1
ASSI { 128}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.500 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.826 ppm2 1.767 CV 1
ASSI { 130}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
3.200 1.200 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 4.646 ppm2 8.445 CV 1
ASSI { 131}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
6.000 4.500 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.639 ppm2 8.445 CV 1
ASSI { 132}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.678 ppm2 8.445 CV 1
ASSI { 134}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.648 ppm2 2.679 CV 1
ASSI { 135}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.648 ppm2 2.637 CV 1
ASSI { 136}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 8.371 CV 1
ASSI { 137}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HN ))
3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.19948E-02 ppm1 2.274 ppm2 8.371 CV 1
ASSI { 138}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HN ))
6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.965 ppm2 8.373 CV 1
ASSI { 139}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.276 ppm2 1.967 CV 1
ASSI { 140}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB3 ))
6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 2.272 CV 1
ASSI { 141}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB2 ))
6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 1.966 CV 1
ASSI { 142}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HN ))
2.900 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.35805E-02 ppm1 4.130 ppm2 8.291 CV 1
ASSI { 143}
(( segid " " and resid 52 and name HD3 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.273 ppm2 8.292 CV 1
ASSI { 144}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.177 ppm2 8.291 CV 1
ASSI { 145}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.938 ppm2 8.293 CV 1
ASSI { 146}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.890 ppm2 8.293 CV 1
ASSI { 147}
(( segid " " and resid 52 and name HG3 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.793 ppm2 8.290 CV 1
ASSI { 148}
(( segid " " and resid 52 and name HG2 ))
(( segid " " and resid 52 and name HN ))
4.900 3.100 1.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.15350E-03 ppm1 1.679 ppm2 8.291 CV 1
ASSI { 149}
(( segid " " and resid 52 and name HD3 ))
(( segid " " and resid 52 and name HD2 ))
6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.276 ppm2 3.181 CV 1
ASSI { 150}
(( segid " " and resid 52 and name HD3 ))
(( segid " " and resid 52 and name HB3 ))
6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.272 ppm2 1.936 CV 1
ASSI { 151}
(( segid " " and resid 52 and name HD3 ))
(( segid " " and resid 52 and name HB2 ))
6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.269 ppm2 1.889 CV 1
ASSI { 152}
(( segid " " and resid 52 and name HD3 ))
(( segid " " and resid 52 and name HG3 ))
6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.272 ppm2 1.793 CV 1
ASSI { 153}
(( segid " " and resid 52 and name HD3 ))
(( segid " " and resid 52 and name HG2 ))
6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.272 ppm2 1.681 CV 1
ASSI { 154}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HB3 ))
6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.188 ppm2 1.936 CV 1
ASSI { 156}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HG3 ))
6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.182 ppm2 1.794 CV 1
ASSI { 157}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HG2 ))
6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.183 ppm2 1.682 CV 1
ASSI { 158}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.900 1.100 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.35942E-02 ppm1 4.990 ppm2 8.263 CV 1
ASSI { 159}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.234 ppm2 8.263 CV 1
ASSI { 160}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.711 ppm2 8.264 CV 1
ASSI { 161}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.17837E-01 ppm1 3.235 ppm2 2.711 CV 1
ASSI { 162}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.992 ppm2 2.711 CV 1
ASSI { 163}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.300 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14939E-01 ppm1 4.994 ppm2 3.233 CV 1
ASSI { 164}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.000 0.500 0.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.38511E-01 ppm1 4.167 ppm2 8.161 CV 1
ASSI { 165}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.931 ppm2 8.161 CV 1
OR { 165}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HN ))
ASSI { 166}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
4.200 2.200 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.41013E-03 ppm1 2.203 ppm2 8.158 CV 1
ASSI { 167}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.19581E-02 ppm1 1.820 ppm2 8.160 CV 1
ASSI { 168}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HN ))
4.500 2.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.27033E-03 ppm1 1.613 ppm2 8.161 CV 1
ASSI { 169}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.91002E-03 ppm1 1.481 ppm2 8.163 CV 1
ASSI { 170}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HN ))
4.600 2.600 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.23710E-03 ppm1 1.312 ppm2 8.161 CV 1
ASSI { 171}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HN ))
4.500 2.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.26965E-03 ppm1 1.201 ppm2 8.160 CV 1
ASSI { 172}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.316 ppm2 1.202 CV 1
ASSI { 173}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.481 ppm2 1.203 CV 1
ASSI { 174}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.623 ppm2 1.198 CV 1
ASSI { 175}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.825 ppm2 1.203 CV 1
ASSI { 176}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG2 ))
3.200 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.22514E-02 ppm1 2.202 ppm2 1.202 CV 1
ASSI { 177}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.938 ppm2 1.203 CV 1
OR { 177}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 178}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.478 ppm2 1.311 CV 1
ASSI { 179}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.613 ppm2 1.311 CV 1
ASSI { 180}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HD2 ))
6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.623 ppm2 1.481 CV 1
ASSI { 181}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.825 ppm2 1.313 CV 1
ASSI { 182}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HD2 ))
6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.832 ppm2 1.479 CV 1
ASSI { 183}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG3 ))
2.800 1.000 1.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.44781E-02 ppm1 2.202 ppm2 1.313 CV 1
ASSI { 184}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD2 ))
6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.207 ppm2 1.483 CV 1
ASSI { 185}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD3 ))
6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.207 ppm2 1.617 CV 1
ASSI { 186}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.207 ppm2 1.828 CV 1
ASSI { 189}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.938 ppm2 1.313 CV 1
OR { 189}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 190}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HD2 ))
6.000 4.500 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.926 ppm2 1.483 CV 1
OR { 190}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HD2 ))
ASSI { 191}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HD3 ))
6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.926 ppm2 1.614 CV 1
OR { 191}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HD3 ))
ASSI { 192}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.926 ppm2 1.828 CV 1
OR { 192}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 193}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HB3 ))
6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.926 ppm2 2.201 CV 1
OR { 193}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 194}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.203 CV 1
ASSI { 195}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.311 CV 1
ASSI { 196}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HD2 ))
6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.171 ppm2 1.479 CV 1
ASSI { 197}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HD3 ))
6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.611 CV 1
ASSI { 198}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.823 CV 1
ASSI { 199}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.167 ppm2 2.203 CV 1
ASSI { 200}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HE3 ))
6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 2.937 CV 1
OR { 200}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HE2 ))
ASSI { 201}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.55746E-02 ppm1 4.045 ppm2 8.240 CV 1
ASSI { 202}
( segid " " and resid 39 and name HB% )
(( segid " " and resid 39 and name HN ))
6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.253 ppm2 8.240 CV 1
ASSI { 203}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HB% )
6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.050 ppm2 1.254 CV 1
ASSI { 204}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.52456E-02 ppm1 4.919 ppm2 8.067 CV 1
ASSI { 205}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.400 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.15877E-02 ppm1 3.373 ppm2 8.071 CV 1
ASSI { 206}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.30007E-02 ppm1 2.978 ppm2 8.070 CV 1
ASSI { 207}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
1.900 0.500 0.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.45981E-01 ppm1 3.380 ppm2 2.984 CV 1
ASSI { 208}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.200 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.20510E-01 ppm1 4.923 ppm2 2.976 CV 1
ASSI { 209}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
2.100 0.600 0.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.23110E-01 ppm1 4.923 ppm2 3.387 CV 1
ASSI { 210}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
2.900 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.37244E-02 ppm1 3.980 ppm2 7.935 CV 1
ASSI { 211}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.20020E-01 ppm1 2.753 ppm2 7.936 CV 1
OR { 211}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HN ))
ASSI { 212}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB2 ))
2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.13746E-01 ppm1 3.977 ppm2 2.755 CV 1
OR { 212}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
ASSI { 213}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.64071E-02 ppm1 1.421 ppm2 8.032 CV 1
ASSI { 214}
(( segid " " and resid 21 and name HG ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.216 ppm2 8.032 CV 1
ASSI { 215}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.918 ppm2 8.031 CV 1
ASSI { 216}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 21 and name HN ))
5.000 3.100 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.15178E-03 ppm1 0.400 ppm2 8.032 CV 1
ASSI { 217}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 21 and name HN ))
3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.74556E-03 ppm1 -0.161 ppm2 8.030 CV 1
ASSI { 218}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.379 ppm2 8.034 CV 1
ASSI { 219}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.379 ppm2 1.427 CV 1
ASSI { 220}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG ))
6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.379 ppm2 1.220 CV 1
ASSI { 221}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.379 ppm2 0.920 CV 1
ASSI { 222}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HD2%)
4.300 2.300 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.34537E-03 ppm1 4.379 ppm2 0.400 CV 1
ASSI { 224}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 21 and name HD1%)
2.900 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.39711E-02 ppm1 1.424 ppm2 -0.160 CV 1
ASSI { 225}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 21 and name HD2%)
2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.13273E-01 ppm1 1.426 ppm2 0.399 CV 1
ASSI { 226}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG ))
6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.429 ppm2 1.218 CV 1
ASSI { 227}
(( segid " " and resid 21 and name HG ))
( segid " " and resid 21 and name HD1%)
2.100 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.23275E-01 ppm1 1.216 ppm2 -0.161 CV 1
ASSI { 228}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 21 and name HD1%)
2.600 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.76406E-02 ppm1 0.918 ppm2 -0.161 CV 1
ASSI { 229}
( segid " " and resid 21 and name HD2%)
( segid " " and resid 21 and name HD1%)
2.000 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.40601E-01 ppm1 0.397 ppm2 -0.161 CV 1
ASSI { 230}
(( segid " " and resid 21 and name HG ))
( segid " " and resid 21 and name HD2%)
2.100 0.500 0.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.26454E-01 ppm1 1.216 ppm2 0.399 CV 1
ASSI { 231}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 21 and name HD2%)
2.400 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.10834E-01 ppm1 0.918 ppm2 0.399 CV 1
ASSI { 232}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.321 ppm2 8.044 CV 1
ASSI { 234}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.866 ppm2 8.044 CV 1
ASSI { 235}
( segid " " and resid 58 and name HD2%)
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.932 ppm2 8.044 CV 1
ASSI { 236}
(( segid " " and resid 58 and name HG ))
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.605 ppm2 8.041 CV 1
ASSI { 237}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.694 ppm2 8.041 CV 1
OR { 237}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HN ))
ASSI { 238}
( segid " " and resid 58 and name HD2%)
( segid " " and resid 58 and name HD1%)
6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.926 ppm2 0.861 CV 1
ASSI { 239}
(( segid " " and resid 58 and name HG ))
( segid " " and resid 58 and name HD1%)
6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.604 ppm2 0.861 CV 1
ASSI { 240}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 58 and name HD1%)
6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.701 ppm2 0.861 CV 1
ASSI { 241}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 58 and name HD2%)
6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.701 ppm2 0.920 CV 1
ASSI { 242}
(( segid " " and resid 58 and name HG ))
( segid " " and resid 58 and name HD2%)
6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.604 ppm2 0.922 CV 1
ASSI { 243}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB2 ))
6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 1.695 CV 1
OR { 243}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB3 ))
ASSI { 244}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HG ))
6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 1.603 CV 1
ASSI { 245}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 58 and name HD2%)
6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 0.922 CV 1
ASSI { 246}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 58 and name HD1%)
6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 0.861 CV 1
ASSI { 247}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
3.300 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.18238E-02 ppm1 4.512 ppm2 7.951 CV 1
ASSI { 248}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.268 ppm2 7.949 CV 1
ASSI { 249}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.195 ppm2 7.951 CV 1
ASSI { 250}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.754 ppm2 7.951 CV 1
ASSI { 251}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.665 ppm2 7.949 CV 1
ASSI { 252}
(( segid " " and resid 37 and name HG3 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.504 ppm2 7.951 CV 1
OR { 252}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HN ))
ASSI { 254}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HB3 ))
6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.271 ppm2 1.753 CV 1
ASSI { 261}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG3 ))
6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.513 ppm2 1.500 CV 1
OR { 261}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG2 ))
ASSI { 268}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HD2 ))
6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.514 ppm2 3.195 CV 1
ASSI { 269}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HD3 ))
6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.511 ppm2 3.269 CV 1
ASSI { 270}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HD2 ))
6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.274 ppm2 3.196 CV 1
ASSI { 290}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.19472E-02 ppm1 5.707 ppm2 7.695 CV 1
ASSI { 291}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 3.507 ppm2 7.699 CV 1
ASSI { 292}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
4.700 2.700 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.22031E-03 ppm1 3.311 ppm2 7.697 CV 1
ASSI { 293}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.509 ppm2 3.311 CV 1
ASSI { 294}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.900 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.41835E-02 ppm1 5.707 ppm2 3.507 CV 1
ASSI { 295}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
3.100 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.23268E-02 ppm1 5.707 ppm2 3.311 CV 1
ASSI { 296}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 55 and name HN ))
6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.077 ppm2 7.639 CV 1
ASSI { 297}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 54 and name HN ))
6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.936 ppm2 7.650 CV 1
ASSI { 298}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 54 and name HG2%)
6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.073 ppm2 0.933 CV 1
ASSI { 299}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.25700E-02 ppm1 4.413 ppm2 7.464 CV 1
ASSI { 300}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 40 and name HN ))
3.100 1.200 1.200 peak 300 spectrum 1 weight 0.10000E+01 volume 0.24395E-02 ppm1 1.630 ppm2 7.465 CV 1
ASSI { 301}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HN ))
3.400 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 1.524 ppm2 7.466 CV 1
ASSI { 302}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.46358E-02 ppm1 1.394 ppm2 7.465 CV 1
ASSI { 303}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.798 ppm2 7.465 CV 1
ASSI { 304}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.733 ppm2 7.465 CV 1
ASSI { 305}
( segid " " and resid 40 and name HD2%)
( segid " " and resid 40 and name HD1%)
6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.798 ppm2 0.735 CV 1
ASSI { 306}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 40 and name HD1%)
2.700 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.59000E-02 ppm1 1.391 ppm2 0.735 CV 1
ASSI { 307}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 40 and name HD1%)
2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.55951E-02 ppm1 1.523 ppm2 0.735 CV 1
ASSI { 308}
(( segid " " and resid 40 and name HG ))
( segid " " and resid 40 and name HD1%)
2.600 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.71541E-02 ppm1 1.628 ppm2 0.735 CV 1
ASSI { 309}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 40 and name HD2%)
6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.391 ppm2 0.797 CV 1
ASSI { 310}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 40 and name HD2%)
3.000 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 1.523 ppm2 0.797 CV 1
ASSI { 311}
(( segid " " and resid 40 and name HG ))
( segid " " and resid 40 and name HD2%)
2.500 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.84595E-02 ppm1 1.628 ppm2 0.797 CV 1
ASSI { 312}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 40 and name HD1%)
3.600 1.600 1.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 4.416 ppm2 0.735 CV 1
ASSI { 313}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 40 and name HD2%)
6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.416 ppm2 0.797 CV 1
ASSI { 314}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 1.390 CV 1
ASSI { 315}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.413 ppm2 1.522 CV 1
ASSI { 316}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG ))
6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 1.628 CV 1
ASSI { 317}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.460 ppm2 7.418 CV 1
ASSI { 318}
(( segid " " and resid 42 and name HG3 ))
(( segid " " and resid 42 and name HN ))
3.900 1.900 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.60200E-03 ppm1 2.083 ppm2 7.416 CV 1
OR { 318}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HN ))
ASSI { 319}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HN ))
3.600 1.700 1.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.96552E-03 ppm1 1.956 ppm2 7.417 CV 1
ASSI { 320}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
3.600 1.600 1.600 peak 320 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 1.822 ppm2 7.417 CV 1
ASSI { 321}
(( segid " " and resid 42 and name HG3 ))
(( segid " " and resid 42 and name HB2 ))
6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.083 ppm2 1.824 CV 1
OR { 321}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HB2 ))
ASSI { 322}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HB2 ))
6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.954 ppm2 1.824 CV 1
ASSI { 323}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HB3 ))
6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.086 ppm2 1.952 CV 1
OR { 323}
(( segid " " and resid 42 and name HG3 ))
(( segid " " and resid 42 and name HB3 ))
ASSI { 324}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG3 ))
6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.460 ppm2 2.081 CV 1
OR { 324}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG2 ))
ASSI { 325}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB3 ))
6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 1.963 CV 1
ASSI { 326}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 1.824 CV 1
ASSI { 327}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32577E-02 ppm1 4.405 ppm2 7.352 CV 1
ASSI { 328}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.217 ppm2 7.353 CV 1
ASSI { 329}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.880 ppm2 7.352 CV 1
ASSI { 331}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB3 ))
2.600 0.800 0.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.74042E-02 ppm1 4.403 ppm2 3.215 CV 1
ASSI { 332}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
4.200 2.200 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.41458E-03 ppm1 4.401 ppm2 2.877 CV 1
ASSI { 333}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.690 ppm2 7.115 CV 1
ASSI { 334}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.380 ppm2 7.115 CV 1
ASSI { 335}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.082 ppm2 7.115 CV 1
ASSI { 336}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HB2 ))
6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.376 ppm2 3.083 CV 1
ASSI { 337}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
6.000 4.500 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.686 ppm2 3.088 CV 1
ASSI { 338}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
6.000 4.500 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.686 ppm2 3.376 CV 1
ASSI { 339}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HN ))
4.300 2.300 1.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.37997E-03 ppm1 5.002 ppm2 6.963 CV 1
ASSI { 340}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HN ))
4.000 2.000 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.57767E-03 ppm1 2.297 ppm2 6.963 CV 1
ASSI { 341}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HN ))
4.000 2.000 2.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.58555E-03 ppm1 2.094 ppm2 6.963 CV 1
ASSI { 342}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HN ))
2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.94771E-02 ppm1 1.450 ppm2 6.963 CV 1
OR { 342}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HN ))
ASSI { 343}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HB3 ))
2.600 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.74179E-02 ppm1 2.296 ppm2 1.450 CV 1
OR { 343}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HB2 ))
ASSI { 344}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HB2 ))
2.700 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.54786E-02 ppm1 2.094 ppm2 1.450 CV 1
OR { 344}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HB3 ))
ASSI { 345}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HG3 ))
3.300 1.400 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 5.003 ppm2 2.295 CV 1
ASSI { 346}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HG2 ))
3.200 1.200 1.200 peak 346 spectrum 1 weight 0.10000E+01 volume 0.22682E-02 ppm1 5.003 ppm2 2.090 CV 1
ASSI { 347}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB3 ))
6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.000 ppm2 1.448 CV 1
OR { 347}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB2 ))
ASSI { 348}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
3.900 1.900 1.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.63043E-03 ppm1 2.448 ppm2 6.790 CV 1
ASSI { 349}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
4.800 2.800 1.200 peak 349 spectrum 1 weight 0.10000E+01 volume 0.19393E-03 ppm1 2.690 ppm2 6.788 CV 1
ASSI { 350}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.452 ppm2 6.790 CV 1
ASSI { 351}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
2.400 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.10502E-01 ppm1 4.454 ppm2 2.695 CV 1
ASSI { 352}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.38203E-02 ppm1 4.452 ppm2 2.442 CV 1
ASSI { 353}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
1.900 0.500 0.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.41389E-01 ppm1 2.692 ppm2 2.444 CV 1
ASSI { 354}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.900 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.39848E-02 ppm1 4.141 ppm2 6.661 CV 1
ASSI { 355}
(( segid " " and resid 36 and name HG ))
(( segid " " and resid 36 and name HN ))
2.000 0.500 0.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.32844E-01 ppm1 1.736 ppm2 6.661 CV 1
ASSI { 356}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
6.000 4.500 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 6.661 CV 1
OR { 356}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
ASSI { 357}
(( segid " " and resid 36 and name HG ))
( segid " " and resid 36 and name HD1%)
2.300 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13472E-01 ppm1 1.727 ppm2 0.527 CV 1
ASSI { 358}
(( segid " " and resid 36 and name HB3 ))
( segid " " and resid 36 and name HD1%)
2.500 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.86719E-02 ppm1 1.445 ppm2 0.528 CV 1
ASSI { 359}
( segid " " and resid 36 and name HD2%)
( segid " " and resid 36 and name HD1%)
6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.794 ppm2 0.529 CV 1
ASSI { 360}
(( segid " " and resid 36 and name HG ))
( segid " " and resid 36 and name HD2%)
2.300 0.700 0.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.14192E-01 ppm1 1.722 ppm2 0.795 CV 1
ASSI { 361}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 36 and name HD2%)
6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 0.793 CV 1
ASSI { 363}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HD2%)
4.000 2.000 2.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.53142E-03 ppm1 4.137 ppm2 0.793 CV 1
ASSI { 364}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 1.440 CV 1
OR { 364}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
ASSI { 365}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG ))
6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 1.731 CV 1
ASSI { 366}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 33 and name HD1%)
6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.786 ppm2 0.582 CV 1
ASSI { 367}
(( segid " " and resid 33 and name HG12))
( segid " " and resid 33 and name HD1%)
2.400 0.700 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.12060E-01 ppm1 1.176 ppm2 0.580 CV 1
ASSI { 368}
(( segid " " and resid 33 and name HG13))
( segid " " and resid 33 and name HD1%)
2.200 0.600 0.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.19119E-01 ppm1 1.392 ppm2 0.582 CV 1
ASSI { 369}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HD1%)
2.400 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.11146E-01 ppm1 1.852 ppm2 0.580 CV 1
ASSI { 370}
(( segid " " and resid 33 and name HG12))
( segid " " and resid 33 and name HG2%)
3.100 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.27523E-02 ppm1 1.177 ppm2 0.789 CV 1
ASSI { 371}
(( segid " " and resid 33 and name HG13))
( segid " " and resid 33 and name HG2%)
6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.392 ppm2 0.788 CV 1
ASSI { 372}
(( segid " " and resid 33 and name HG13))
(( segid " " and resid 33 and name HG12))
6.000 4.500 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.392 ppm2 1.175 CV 1
ASSI { 373}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG2%)
2.400 0.700 0.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.12790E-01 ppm1 1.854 ppm2 0.786 CV 1
ASSI { 374}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HG12))
6.000 4.500 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.854 ppm2 1.177 CV 1
ASSI { 375}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HG13))
6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.854 ppm2 1.395 CV 1
ASSI { 376}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB ))
2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.87370E-02 ppm1 3.788 ppm2 1.852 CV 1
ASSI { 377}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HB3 ))
4.100 2.100 1.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.45364E-03 ppm1 3.362 ppm2 2.317 CV 1
ASSI { 378}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HB2 ))
6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.362 ppm2 1.921 CV 1
ASSI { 380}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HG3 ))
6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.362 ppm2 1.747 CV 1
OR { 380}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HG2 ))
ASSI { 381}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HB3 ))
6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.637 ppm2 2.317 CV 1
ASSI { 382}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB3 ))
6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.409 ppm2 2.317 CV 1
ASSI { 387}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HB2 ))
6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.640 ppm2 1.921 CV 1
ASSI { 388}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB2 ))
6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.412 ppm2 1.921 CV 1
ASSI { 389}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HG2 ))
6.000 4.500 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.637 ppm2 1.747 CV 1
OR { 389}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HG3 ))
ASSI { 390}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HG3 ))
6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.409 ppm2 1.747 CV 1
OR { 390}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HG2 ))
ASSI { 391}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HD2 ))
2.100 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.26286E-01 ppm1 3.636 ppm2 3.354 CV 1
ASSI { 392}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
2.800 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.51977E-02 ppm1 5.288 ppm2 3.077 CV 1
ASSI { 393}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.35942E-02 ppm1 5.288 ppm2 2.978 CV 1
ASSI { 394}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HB3 ))
6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.511 ppm2 2.409 CV 1
ASSI { 395}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.509 ppm2 2.083 CV 1
ASSI { 396}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HG2 ))
6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.506 ppm2 1.897 CV 1
ASSI { 397}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HB3 ))
6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.593 ppm2 2.409 CV 1
ASSI { 398}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.900 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.41698E-02 ppm1 4.628 ppm2 2.409 CV 1
ASSI { 399}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.596 ppm2 2.084 CV 1
ASSI { 400}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.49578E-02 ppm1 4.625 ppm2 2.085 CV 1
ASSI { 401}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HG3 ))
6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.597 ppm2 1.896 CV 1
OR { 401}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 402}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG3 ))
6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.623 ppm2 1.897 CV 1
OR { 402}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 403}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD3 ))
6.000 4.500 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.632 ppm2 3.600 CV 1
ASSI { 404}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD2 ))
6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.633 ppm2 3.507 CV 1
ASSI { 405}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HD2 ))
6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 3.361 CV 1
ASSI { 406}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HD3 ))
6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 3.638 CV 1
ASSI { 407}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HG2 ))
6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.318 ppm2 1.746 CV 1
OR { 407}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HG3 ))
ASSI { 408}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HB2 ))
6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.321 ppm2 1.920 CV 1
ASSI { 409}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.410 ppm2 2.082 CV 1
ASSI { 410}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HG3 ))
6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.410 ppm2 1.896 CV 1
OR { 410}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 411}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG2 ))
6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.094 ppm2 1.897 CV 1
OR { 411}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG3 ))
ASSI { 419}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HD3 ))
4.400 2.500 1.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.29158E-03 ppm1 4.130 ppm2 3.273 CV 1
ASSI { 420}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HD2 ))
6.000 4.500 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.130 ppm2 3.177 CV 1
ASSI { 421}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB3 ))
6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.130 ppm2 1.938 CV 1
ASSI { 422}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB2 ))
6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.130 ppm2 1.891 CV 1
ASSI { 423}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HG3 ))
6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.133 ppm2 1.792 CV 1
ASSI { 424}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HG2 ))
6.000 4.500 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.131 ppm2 1.679 CV 1
ASSI { 443}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HD3 ))
6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.462 ppm2 3.603 CV 1
ASSI { 444}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HD2 ))
6.000 4.500 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.464 ppm2 3.554 CV 1
ASSI { 445}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB3 ))
6.000 4.500 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.462 ppm2 2.293 CV 1
ASSI { 446}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
6.000 4.500 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.462 ppm2 1.989 CV 1
ASSI { 447}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HG3 ))
6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 1.952 CV 1
ASSI { 448}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HG2 ))
6.000 4.500 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.462 ppm2 1.925 CV 1
ASSI { 449}
(( segid " " and resid 56 and name HD3 ))
(( segid " " and resid 56 and name HB3 ))
6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.604 ppm2 2.293 CV 1
ASSI { 450}
(( segid " " and resid 56 and name HD2 ))
(( segid " " and resid 56 and name HB3 ))
6.000 4.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.552 ppm2 2.293 CV 1
ASSI { 451}
(( segid " " and resid 56 and name HD3 ))
(( segid " " and resid 56 and name HB2 ))
6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.604 ppm2 1.987 CV 1
ASSI { 452}
(( segid " " and resid 56 and name HD2 ))
(( segid " " and resid 56 and name HB2 ))
6.000 4.500 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.552 ppm2 1.986 CV 1
ASSI { 453}
(( segid " " and resid 56 and name HD3 ))
(( segid " " and resid 56 and name HG3 ))
6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.604 ppm2 1.953 CV 1
ASSI { 454}
(( segid " " and resid 56 and name HD2 ))
(( segid " " and resid 56 and name HG3 ))
6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.556 ppm2 1.952 CV 1
ASSI { 455}
(( segid " " and resid 56 and name HD3 ))
(( segid " " and resid 56 and name HG2 ))
6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.601 ppm2 1.924 CV 1
ASSI { 456}
(( segid " " and resid 56 and name HD2 ))
(( segid " " and resid 56 and name HG2 ))
6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.554 ppm2 1.925 CV 1
ASSI { 457}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HG2 ))
6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.296 ppm2 1.924 CV 1
ASSI { 458}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HG3 ))
6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.296 ppm2 1.952 CV 1
ASSI { 459}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HB2 ))
6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.294 ppm2 1.989 CV 1
ASSI { 460}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HD3 ))
6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.227 ppm2 3.371 CV 1
ASSI { 461}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HD2 ))
6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.227 ppm2 3.119 CV 1
ASSI { 462}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 51 and name HD2 ))
6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.367 ppm2 3.119 CV 1
ASSI { 463}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB3 ))
2.300 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.13935E-01 ppm1 4.227 ppm2 2.385 CV 1
OR { 463}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 464}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HG3 ))
6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.226 ppm2 1.920 CV 1
OR { 464}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HG2 ))
ASSI { 465}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 51 and name HB3 ))
3.600 1.700 1.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.96278E-03 ppm1 3.371 ppm2 2.385 CV 1
OR { 465}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 466}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 51 and name HB2 ))
3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.26005E-02 ppm1 3.123 ppm2 2.385 CV 1
OR { 466}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 467}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 51 and name HG3 ))
6.000 4.500 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.371 ppm2 1.923 CV 1
OR { 467}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 51 and name HG2 ))
ASSI { 468}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 51 and name HG2 ))
6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.123 ppm2 1.923 CV 1
ASSI { 469}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HG3 ))
6.000 4.500 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.395 ppm2 1.923 CV 1
OR { 469}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HG2 ))
OR { 469}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HG2 ))
ASSI { 470}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD3 ))
6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 3.689 CV 1
ASSI { 471}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD2 ))
6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 3.499 CV 1
ASSI { 472}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HD2 ))
2.100 0.600 0.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.25169E-01 ppm1 3.693 ppm2 3.501 CV 1
ASSI { 473}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
6.000 4.500 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.383 ppm2 2.117 CV 1
OR { 473}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
ASSI { 475}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG2 ))
6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.383 ppm2 1.797 CV 1
ASSI { 476}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG3 ))
6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.384 ppm2 1.928 CV 1
ASSI { 477}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HB2 ))
6.000 4.500 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.695 ppm2 2.113 CV 1
OR { 477}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HB3 ))
ASSI { 478}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HB3 ))
6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.506 ppm2 2.113 CV 1
OR { 478}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 479}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HG3 ))
6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.689 ppm2 1.929 CV 1
ASSI { 480}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HG3 ))
6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.502 ppm2 1.930 CV 1
ASSI { 481}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HG2 ))
6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.693 ppm2 1.796 CV 1
ASSI { 482}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HG2 ))
6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.506 ppm2 1.796 CV 1
ASSI { 483}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG2 ))
6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.113 ppm2 1.795 CV 1
OR { 483}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HG2 ))
ASSI { 490}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 26 and name HG2%)
6.000 4.500 0.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.691 ppm2 1.095 CV 1
ASSI { 496}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.400 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12718E-01 ppm1 4.596 ppm2 3.026 CV 1
OR { 496}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
ASSI { 498}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HB% )
6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.271 ppm2 1.384 CV 1
ASSI { 499}
(( segid " " and resid 46 and name HA2 ))
(( segid " " and resid 46 and name HN ))
2.600 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.71164E-02 ppm1 3.994 ppm2 8.038 CV 1
OR { 499}
(( segid " " and resid 46 and name HA1 ))
(( segid " " and resid 46 and name HN ))
ASSI { 502}
(( segid " " and resid 22 and name HG ))
( segid " " and resid 22 and name HD2%)
6.000 4.500 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.808 ppm2 0.287 CV 1
ASSI { 503}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HB2 ))
2.800 1.000 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.50880E-02 ppm1 2.585 ppm2 1.710 CV 1
ASSI { 504}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.192 ppm2 1.714 CV 1
ASSI { 509}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.064 ppm2 8.794 CV 1
ASSI { 510}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.108 ppm2 8.794 CV 1
ASSI { 511}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.220 ppm2 8.794 CV 1
ASSI { 512}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG3 ))
6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.106 ppm2 2.216 CV 1
ASSI { 513}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG2 ))
6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.107 ppm2 2.110 CV 1
ASSI { 514}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.105 ppm2 2.061 CV 1
ASSI { 516}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.54683E-02 ppm1 3.880 ppm2 8.278 CV 1
ASSI { 517}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.335 ppm2 8.281 CV 1
ASSI { 518}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
6.000 4.500 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.877 ppm2 3.333 CV 1
ASSI { 519}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 19 and name HA1 ))
2.100 0.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.23401E-01 ppm1 4.555 ppm2 3.665 CV 1
ASSI { 521}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.888 ppm2 8.572 CV 1
ASSI { 522}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 18 and name HA1 ))
2.600 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.77914E-02 ppm1 4.474 ppm2 3.891 CV 1
ASSI { 524}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HB2 ))
2.100 0.500 0.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.27352E-01 ppm1 3.869 ppm2 2.697 CV 1
ASSI { 525}
( segid " " and resid 3 and name HD2%)
( segid " " and resid 3 and name HD1%)
6.000 4.500 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.152 ppm2 -0.002 CV 1
ASSI { 526}
(( segid " " and resid 3 and name HB2 ))
( segid " " and resid 3 and name HD1%)
6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.743 ppm2 -0.001 CV 1
ASSI { 527}
(( segid " " and resid 3 and name HB3 ))
( segid " " and resid 3 and name HD1%)
6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.006 ppm2 -0.002 CV 1
ASSI { 528}
(( segid " " and resid 3 and name HG ))
( segid " " and resid 3 and name HD1%)
6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.117 ppm2 -0.004 CV 1
ASSI { 529}
(( segid " " and resid 3 and name HG ))
( segid " " and resid 3 and name HD2%)
6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.109 ppm2 0.147 CV 1
ASSI { 530}
(( segid " " and resid 3 and name HB3 ))
( segid " " and resid 3 and name HD2%)
6.000 4.500 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.010 ppm2 0.147 CV 1
ASSI { 531}
(( segid " " and resid 3 and name HB2 ))
( segid " " and resid 3 and name HD2%)
6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.747 ppm2 0.147 CV 1
ASSI { 535}
(( segid " " and resid 48 and name HH2 ))
(( segid " " and resid 48 and name HE3 ))
4.600 2.700 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.22476E-03 ppm1 6.517 ppm2 7.318 CV 1
ASSI { 536}
(( segid " " and resid 48 and name HZ3 ))
(( segid " " and resid 48 and name HE3 ))
2.500 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.92852E-02 ppm1 6.642 ppm2 7.318 CV 1
ASSI { 537}
(( segid " " and resid 48 and name HH2 ))
(( segid " " and resid 48 and name HZ2 ))
2.100 0.500 0.500 peak 537 spectrum 1 weight 0.10000E+01 volume 0.29024E-01 ppm1 6.517 ppm2 7.087 CV 1
ASSI { 538}
(( segid " " and resid 48 and name HH2 ))
(( segid " " and resid 48 and name HZ3 ))
2.200 0.600 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.17782E-01 ppm1 6.517 ppm2 6.637 CV 1
ASSI { 540}
(( segid " " and resid 48 and name HZ2 ))
(( segid " " and resid 48 and name HE1 ))
2.500 0.800 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.95011E-02 ppm1 7.088 ppm2 9.820 CV 1
ASSI { 541}
(( segid " " and resid 48 and name HH2 ))
(( segid " " and resid 48 and name HE1 ))
6.000 4.500 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.516 ppm2 9.817 CV 1
ASSI { 543}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HG2%)
6.000 4.500 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.584 ppm2 1.095 CV 1
ASSI { 544}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HN ))
6.000 6.000 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.71952E-05 ppm1 4.690 ppm2 9.839 CV 1
ASSI { 545}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.41938E-02 ppm1 1.095 ppm2 9.840 CV 1
ASSI { 546}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.690 ppm2 8.263 CV 1
ASSI { 547}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.584 ppm2 8.263 CV 1
ASSI { 548}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.095 ppm2 8.263 CV 1
ASSI { 549}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HD3 ))
2.200 0.600 0.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17933E-01 ppm1 4.992 ppm2 3.692 CV 1
ASSI { 550}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HD2 ))
2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.61673E-02 ppm1 4.990 ppm2 3.505 CV 1
ASSI { 551}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 27 and name HB3 ))
2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.45432E-02 ppm1 3.695 ppm2 3.233 CV 1
ASSI { 552}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HB3 ))
6.000 4.500 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.503 ppm2 3.233 CV 1
ASSI { 553}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HB2 ))
3.000 1.200 1.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.28123E-02 ppm1 3.503 ppm2 2.713 CV 1
ASSI { 554}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.695 ppm2 2.711 CV 1
ASSI { 555}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 9.176 CV 1
ASSI { 556}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.690 ppm2 9.176 CV 1
ASSI { 557}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.70684E-03 ppm1 3.500 ppm2 9.176 CV 1
ASSI { 558}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.115 ppm2 9.176 CV 1
OR { 558}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 559}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 29 and name HN ))
3.700 1.800 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.81340E-03 ppm1 1.930 ppm2 9.176 CV 1
ASSI { 560}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.100 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.26242E-01 ppm1 4.422 ppm2 7.699 CV 1
ASSI { 561}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
4.200 2.200 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.39402E-03 ppm1 4.273 ppm2 7.699 CV 1
ASSI { 562}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 562 spectrum 1 weight 0.10000E+01 volume 0.19917E-02 ppm1 3.746 ppm2 7.699 CV 1
ASSI { 563}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.84732E-03 ppm1 3.315 ppm2 9.099 CV 1
ASSI { 564}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 564 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 3.506 ppm2 9.098 CV 1
ASSI { 565}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.200 0.600 0.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.20561E-01 ppm1 5.712 ppm2 9.098 CV 1
ASSI { 566}
( segid " " and resid 31 and name HE% )
( segid " " and resid 31 and name HD% )
2.000 0.500 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.33937E-01 ppm1 6.877 ppm2 7.085 CV 1
ASSI { 567}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HD% )
3.000 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.30720E-02 ppm1 5.531 ppm2 7.086 CV 1
ASSI { 568}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HE% )
3.900 1.900 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.59412E-03 ppm1 5.529 ppm2 6.869 CV 1
ASSI { 569}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HE% )
4.900 3.000 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.16892E-03 ppm1 2.970 ppm2 6.866 CV 1
ASSI { 570}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HD% )
2.200 0.600 0.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17957E-01 ppm1 2.967 ppm2 7.087 CV 1
ASSI { 571}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 31 and name HE% )
6.000 4.500 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.414 ppm2 6.867 CV 1
ASSI { 572}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 31 and name HD% )
2.400 0.700 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.11197E-01 ppm1 2.416 ppm2 7.086 CV 1
ASSI { 573}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.695 ppm2 9.100 CV 1
ASSI { 574}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.692 ppm2 9.173 CV 1
ASSI { 575}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.21366E-01 ppm1 8.264 ppm2 9.837 CV 1
ASSI { 576}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.300 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17001E-02 ppm1 2.970 ppm2 8.743 CV 1
ASSI { 577}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.94497E-03 ppm1 2.418 ppm2 8.743 CV 1
ASSI { 578}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.200 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.21181E-01 ppm1 5.525 ppm2 8.742 CV 1
ASSI { 579}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
3.500 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.11807E-02 ppm1 9.097 ppm2 8.744 CV 1
ASSI { 580}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HB2 ))
6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.276 ppm2 2.669 CV 1
ASSI { 581}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 32 and name HD2 ))
6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.378 ppm2 7.459 CV 1
ASSI { 582}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HD2 ))
6.000 4.500 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.830 ppm2 7.458 CV 1
ASSI { 583}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HE1 ))
6.000 4.500 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.830 ppm2 7.383 CV 1
ASSI { 584}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HD2 ))
3.200 1.300 1.300 peak 584 spectrum 1 weight 0.10000E+01 volume 0.22487E-02 ppm1 2.667 ppm2 7.458 CV 1
ASSI { 585}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HE1 ))
3.300 1.400 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16360E-02 ppm1 2.667 ppm2 7.383 CV 1
ASSI { 586}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HE1 ))
6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.275 ppm2 7.383 CV 1
ASSI { 587}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HD2 ))
5.800 4.200 0.200 peak 587 spectrum 1 weight 0.10000E+01 volume 0.58247E-04 ppm1 3.278 ppm2 7.458 CV 1
ASSI { 588}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.457 ppm2 8.744 CV 1
ASSI { 589}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.383 ppm2 8.744 CV 1
ASSI { 590}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.668 ppm2 9.207 CV 1
ASSI { 591}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.277 ppm2 9.207 CV 1
ASSI { 592}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.828 ppm2 9.207 CV 1
ASSI { 595}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.745 ppm2 9.206 CV 1
ASSI { 596}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG13))
3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 3.791 ppm2 1.396 CV 1
ASSI { 597}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG12))
4.700 2.700 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.21311E-03 ppm1 3.791 ppm2 1.178 CV 1
ASSI { 598}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 33 and name HN ))
5.500 3.700 0.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.83601E-04 ppm1 0.582 ppm2 9.208 CV 1
ASSI { 599}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
2.300 0.600 0.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17299E-01 ppm1 0.789 ppm2 9.208 CV 1
ASSI { 600}
(( segid " " and resid 33 and name HG12))
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.12328E-01 ppm1 1.179 ppm2 9.208 CV 1
ASSI { 601}
(( segid " " and resid 33 and name HG13))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 601 spectrum 1 weight 0.10000E+01 volume 0.33019E-02 ppm1 1.395 ppm2 9.206 CV 1
ASSI { 602}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
2.900 1.100 1.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 1.851 ppm2 9.208 CV 1
ASSI { 603}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.790 ppm2 7.114 CV 1
ASSI { 604}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.584 ppm2 7.114 CV 1
ASSI { 605}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.787 ppm2 7.114 CV 1
ASSI { 606}
(( segid " " and resid 33 and name HG12))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.175 ppm2 7.114 CV 1
ASSI { 607}
(( segid " " and resid 33 and name HG13))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.393 ppm2 7.114 CV 1
ASSI { 608}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 34 and name HN ))
4.500 2.500 1.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.28952E-03 ppm1 1.853 ppm2 7.113 CV 1
ASSI { 609}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
4.600 2.600 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.24464E-03 ppm1 7.108 ppm2 9.209 CV 1
ASSI { 610}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.085 ppm2 7.352 CV 1
ASSI { 611}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.381 ppm2 7.352 CV 1
ASSI { 612}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
4.300 2.300 1.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.36935E-03 ppm1 4.690 ppm2 7.353 CV 1
ASSI { 613}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
3.400 1.400 1.400 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15377E-02 ppm1 7.114 ppm2 7.353 CV 1
ASSI { 614}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HB2 ))
6.000 4.500 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.220 ppm2 2.881 CV 1
ASSI { 615}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
6.000 4.500 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.213 ppm2 6.661 CV 1
ASSI { 616}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
4.700 2.800 1.300 peak 616 spectrum 1 weight 0.10000E+01 volume 0.20935E-03 ppm1 2.873 ppm2 6.660 CV 1
ASSI { 617}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
4.900 3.000 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.15966E-03 ppm1 4.399 ppm2 6.660 CV 1
ASSI { 618}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.10334E-01 ppm1 6.661 ppm2 7.352 CV 1
ASSI { 619}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HN ))
5.500 3.800 0.500 peak 619 spectrum 1 weight 0.10000E+01 volume 0.81545E-04 ppm1 0.527 ppm2 6.662 CV 1
ASSI { 620}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 36 and name HN ))
3.200 1.300 1.300 peak 620 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 0.795 ppm2 6.662 CV 1
ASSI { 621}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.200 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.18666E-01 ppm1 4.139 ppm2 7.951 CV 1
ASSI { 622}
(( segid " " and resid 36 and name HG ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.728 ppm2 7.951 CV 1
ASSI { 623}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
2.900 1.000 1.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.39882E-02 ppm1 1.441 ppm2 7.951 CV 1
OR { 623}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
ASSI { 624}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 37 and name HN ))
3.900 1.900 1.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.66024E-03 ppm1 0.798 ppm2 7.951 CV 1
ASSI { 625}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 37 and name HN ))
4.300 2.300 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.37792E-03 ppm1 0.532 ppm2 7.951 CV 1
ASSI { 626}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB3 ))
6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.515 ppm2 1.755 CV 1
ASSI { 628}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB2 ))
6.000 4.500 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.515 ppm2 1.667 CV 1
ASSI { 629}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HB3 ))
6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.196 ppm2 1.757 CV 1
ASSI { 630}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HB2 ))
6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.271 ppm2 1.669 CV 1
ASSI { 631}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HG3 ))
6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.271 ppm2 1.504 CV 1
OR { 631}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HG2 ))
ASSI { 632}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HB2 ))
6.000 4.500 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.196 ppm2 1.669 CV 1
ASSI { 633}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HG2 ))
6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.196 ppm2 1.504 CV 1
OR { 633}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HG3 ))
ASSI { 634}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HG2 ))
6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.758 ppm2 1.502 CV 1
OR { 634}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HG3 ))
ASSI { 635}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
3.700 1.700 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.88227E-03 ppm1 6.663 ppm2 7.951 CV 1
ASSI { 636}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HB2 ))
6.000 4.500 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.188 ppm2 1.891 CV 1
ASSI { 637}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HD2 ))
6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.601 ppm2 3.505 CV 1
ASSI { 638}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HD3 ))
6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.516 ppm2 3.602 CV 1
ASSI { 639}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HD2 ))
6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.516 ppm2 3.505 CV 1
ASSI { 640}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.300 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.16151E-01 ppm1 4.622 ppm2 8.241 CV 1
ASSI { 641}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 39 and name HN ))
6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.595 ppm2 8.241 CV 1
ASSI { 642}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 2.410 ppm2 8.242 CV 1
ASSI { 643}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.400 1.500 1.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14127E-02 ppm1 2.085 ppm2 8.241 CV 1
ASSI { 644}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 39 and name HN ))
6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.896 ppm2 8.244 CV 1
OR { 644}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 645}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.000 0.500 0.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.40327E-01 ppm1 4.049 ppm2 7.465 CV 1
ASSI { 646}
( segid " " and resid 39 and name HB% )
(( segid " " and resid 40 and name HN ))
2.300 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.13719E-01 ppm1 1.252 ppm2 7.465 CV 1
ASSI { 647}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
3.900 1.900 1.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.62016E-03 ppm1 7.466 ppm2 8.239 CV 1
ASSI { 648}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.58898E-02 ppm1 4.414 ppm2 8.500 CV 1
ASSI { 649}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.463 ppm2 8.501 CV 1
ASSI { 650}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.632 ppm2 8.501 CV 1
ASSI { 651}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
3.900 1.900 1.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.62358E-03 ppm1 1.532 ppm2 8.501 CV 1
ASSI { 652}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
3.500 1.600 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 1.400 ppm2 8.501 CV 1
ASSI { 653}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.797 ppm2 8.501 CV 1
ASSI { 654}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.740 ppm2 8.501 CV 1
ASSI { 655}
( segid " " and resid 41 and name HE% )
( segid " " and resid 41 and name HD% )
2.000 0.500 0.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.37586E-01 ppm1 6.795 ppm2 7.107 CV 1
ASSI { 656}
(( segid " " and resid 41 and name HB3 ))
( segid " " and resid 41 and name HD% )
6.000 4.500 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.157 ppm2 7.106 CV 1
ASSI { 657}
(( segid " " and resid 41 and name HB2 ))
( segid " " and resid 41 and name HD% )
2.700 0.900 0.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.61947E-02 ppm1 2.813 ppm2 7.105 CV 1
ASSI { 658}
(( segid " " and resid 41 and name HB2 ))
( segid " " and resid 41 and name HE% )
6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.812 ppm2 6.792 CV 1
ASSI { 659}
(( segid " " and resid 41 and name HB3 ))
( segid " " and resid 41 and name HE% )
6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.155 ppm2 6.793 CV 1
ASSI { 660}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 41 and name HD% )
2.900 1.000 1.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.41869E-02 ppm1 4.492 ppm2 7.107 CV 1
ASSI { 661}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 41 and name HE% )
6.000 4.500 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.490 ppm2 6.794 CV 1
ASSI { 662}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
3.400 1.500 1.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14339E-02 ppm1 7.416 ppm2 8.503 CV 1
ASSI { 663}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
6.000 4.500 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.490 ppm2 7.418 CV 1
ASSI { 664}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 42 and name HN ))
3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.61707E-03 ppm1 3.161 ppm2 7.418 CV 1
ASSI { 665}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 42 and name HN ))
6.000 4.700 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.41458E-04 ppm1 2.810 ppm2 7.418 CV 1
ASSI { 666}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 8.601 CV 1
ASSI { 667}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.415 ppm2 8.604 CV 1
ASSI { 668}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 43 and name HN ))
3.600 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.96827E-03 ppm1 2.083 ppm2 8.606 CV 1
OR { 668}
(( segid " " and resid 42 and name HG3 ))
(( segid " " and resid 43 and name HN ))
ASSI { 669}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.954 ppm2 8.604 CV 1
ASSI { 670}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.822 ppm2 8.604 CV 1
ASSI { 671}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HD2 ))
2.500 0.800 0.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.81957E-02 ppm1 3.868 ppm2 3.355 CV 1
ASSI { 672}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HD3 ))
2.300 0.600 0.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.16748E-01 ppm1 3.872 ppm2 3.626 CV 1
ASSI { 673}
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 43 and name HG2%)
2.300 0.600 0.600 peak 673 spectrum 1 weight 0.10000E+01 volume 0.16549E-01 ppm1 3.352 ppm2 0.898 CV 1
OR { 673}
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 43 and name HG1%)
ASSI { 674}
(( segid " " and resid 44 and name HD3 ))
( segid " " and resid 43 and name HG2%)
2.600 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.71404E-02 ppm1 3.630 ppm2 0.900 CV 1
OR { 674}
(( segid " " and resid 44 and name HD3 ))
( segid " " and resid 43 and name HG1%)
ASSI { 675}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
2.700 0.900 0.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.55266E-02 ppm1 4.416 ppm2 8.445 CV 1
ASSI { 676}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 45 and name HN ))
4.500 2.600 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.26280E-03 ppm1 1.922 ppm2 8.447 CV 1
ASSI { 677}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 45 and name HN ))
6.000 4.500 0.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.318 ppm2 8.445 CV 1
ASSI { 678}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.800 1.000 1.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.44405E-02 ppm1 4.647 ppm2 8.038 CV 1
ASSI { 679}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 46 and name HN ))
6.000 4.500 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.637 ppm2 8.038 CV 1
ASSI { 680}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 46 and name HN ))
6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.679 ppm2 8.038 CV 1
ASSI { 681}
(( segid " " and resid 46 and name HA1 ))
(( segid " " and resid 47 and name HN ))
2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.20996E-01 ppm1 3.993 ppm2 8.373 CV 1
OR { 681}
(( segid " " and resid 46 and name HA2 ))
(( segid " " and resid 47 and name HN ))
ASSI { 682}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.038 ppm2 8.376 CV 1
ASSI { 683}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 9.111 CV 1
ASSI { 686}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 48 and name HN ))
4.200 2.200 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.40499E-03 ppm1 2.276 ppm2 9.122 CV 1
ASSI { 687}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HE1 ))
6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.028 ppm2 9.820 CV 1
ASSI { 691}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HE3 ))
6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.511 ppm2 7.318 CV 1
ASSI { 692}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HE3 ))
6.000 4.500 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.213 ppm2 7.318 CV 1
ASSI { 693}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HE3 ))
6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.033 ppm2 7.318 CV 1
ASSI { 694}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
3.900 1.900 1.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.67875E-03 ppm1 6.966 ppm2 9.120 CV 1
ASSI { 695}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
2.000 0.500 0.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.34160E-01 ppm1 4.504 ppm2 6.963 CV 1
ASSI { 696}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 49 and name HN ))
3.600 1.700 1.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.97512E-03 ppm1 3.211 ppm2 6.962 CV 1
ASSI { 697}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 49 and name HN ))
6.000 6.000 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17131E-05 ppm1 3.033 ppm2 6.962 CV 1
ASSI { 698}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HG2 ))
6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.296 ppm2 2.092 CV 1
ASSI { 699}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
2.000 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.30871E-01 ppm1 5.006 ppm2 9.224 CV 1
ASSI { 700}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 50 and name HN ))
3.700 1.700 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.89152E-03 ppm1 2.094 ppm2 9.226 CV 1
ASSI { 701}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 50 and name HN ))
6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.296 ppm2 9.226 CV 1
ASSI { 702}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 50 and name HN ))
3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 1.453 ppm2 9.226 CV 1
OR { 702}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 50 and name HN ))
ASSI { 703}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 50 and name HN ))
3.600 1.600 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 6.971 ppm2 9.224 CV 1
ASSI { 705}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HN ))
2.500 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.94017E-02 ppm1 2.384 ppm2 9.223 CV 1
OR { 705}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HN ))
ASSI { 707}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB3 ))
6.000 4.500 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.535 ppm2 2.386 CV 1
OR { 707}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
ASSI { 709}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HD2 ))
2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.52936E-02 ppm1 3.532 ppm2 3.121 CV 1
ASSI { 710}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HD3 ))
6.000 4.500 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.534 ppm2 3.357 CV 1
ASSI { 711}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
6.000 6.000 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.17817E-04 ppm1 4.226 ppm2 8.290 CV 1
ASSI { 712}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.372 ppm2 8.290 CV 1
ASSI { 713}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 52 and name HN ))
6.000 6.000 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.54820E-05 ppm1 3.119 ppm2 8.290 CV 1
ASSI { 714}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.386 ppm2 8.293 CV 1
OR { 714}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 52 and name HN ))
ASSI { 715}
(( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 52 and name HN ))
6.000 4.500 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.920 ppm2 8.291 CV 1
OR { 715}
(( segid " " and resid 51 and name HG3 ))
(( segid " " and resid 52 and name HN ))
ASSI { 716}
(( segid " " and resid 49 and name HE22))
(( segid " " and resid 49 and name HE21))
1.700 0.400 0.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.87541E-01 ppm1 6.683 ppm2 7.737 CV 1
ASSI { 717}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HE21))
6.000 4.500 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.010 ppm2 7.738 CV 1
ASSI { 718}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HE21))
3.200 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.22600E-02 ppm1 2.302 ppm2 7.738 CV 1
ASSI { 719}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HE21))
3.400 1.400 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.15723E-02 ppm1 2.094 ppm2 7.737 CV 1
ASSI { 720}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HE21))
5.800 4.300 0.200 peak 720 spectrum 1 weight 0.10000E+01 volume 0.56876E-04 ppm1 1.453 ppm2 7.737 CV 1
OR { 720}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HE21))
ASSI { 721}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HE22))
6.000 4.500 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.456 ppm2 6.682 CV 1
OR { 721}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HE22))
ASSI { 722}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HE22))
4.000 2.000 2.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.53518E-03 ppm1 2.097 ppm2 6.681 CV 1
ASSI { 723}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HE22))
3.900 1.900 1.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.68251E-03 ppm1 2.297 ppm2 6.680 CV 1
ASSI { 724}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HE22))
6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.994 ppm2 6.679 CV 1
ASSI { 725}
( segid " " and resid 14 and name HG1%)
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.56534E-02 ppm1 1.123 ppm2 8.068 CV 1
ASSI { 726}
( segid " " and resid 14 and name HG2%)
(( segid " " and resid 15 and name HN ))
3.200 1.200 1.200 peak 726 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 1.289 ppm2 8.068 CV 1
ASSI { 727}
(( segid " " and resid 14 and name HB ))
(( segid " " and resid 15 and name HN ))
2.200 0.600 0.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.18814E-01 ppm1 2.295 ppm2 8.070 CV 1
ASSI { 728}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
4.000 2.000 2.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.58658E-03 ppm1 3.996 ppm2 8.070 CV 1
ASSI { 729}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11475E-01 ppm1 8.068 ppm2 8.840 CV 1
ASSI { 730}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
2.300 0.700 0.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.14551E-01 ppm1 7.938 ppm2 8.291 CV 1
ASSI { 731}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
6.000 4.500 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.131 ppm2 7.935 CV 1
ASSI { 733}
(( segid " " and resid 52 and name HG2 ))
(( segid " " and resid 53 and name HN ))
6.000 4.500 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.678 ppm2 7.936 CV 1
ASSI { 734}
(( segid " " and resid 52 and name HG3 ))
(( segid " " and resid 53 and name HN ))
6.000 4.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.790 ppm2 7.936 CV 1
ASSI { 735}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 53 and name HN ))
6.000 4.500 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.893 ppm2 7.936 CV 1
ASSI { 736}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 53 and name HN ))
6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.939 ppm2 7.937 CV 1
ASSI { 737}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
4.800 2.900 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.18982E-03 ppm1 3.984 ppm2 7.650 CV 1
ASSI { 738}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 54 and name HN ))
3.100 1.200 1.200 peak 738 spectrum 1 weight 0.10000E+01 volume 0.25368E-02 ppm1 2.753 ppm2 7.650 CV 1
OR { 738}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 54 and name HN ))
ASSI { 740}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HG2%)
6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.085 ppm2 0.933 CV 1
ASSI { 741}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HN ))
6.000 4.500 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.084 ppm2 7.649 CV 1
ASSI { 742}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HN ))
2.600 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.79078E-02 ppm1 7.653 ppm2 7.935 CV 1
ASSI { 743}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.981 ppm2 8.161 CV 1
ASSI { 744}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.367 ppm2 8.161 CV 1
ASSI { 745}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
5.200 3.400 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10998E-03 ppm1 4.916 ppm2 8.161 CV 1
ASSI { 746}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.45912E-02 ppm1 8.069 ppm2 8.161 CV 1
ASSI { 747}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
6.000 4.500 0.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.823 ppm2 8.585 CV 1
ASSI { 748}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.800 1.800 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.76132E-03 ppm1 2.207 ppm2 8.585 CV 1
ASSI { 749}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 749 spectrum 1 weight 0.10000E+01 volume 0.21640E-02 ppm1 4.164 ppm2 8.585 CV 1
ASSI { 750}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
2.600 0.900 0.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.66949E-02 ppm1 8.163 ppm2 8.585 CV 1
ASSI { 751}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.984 ppm2 8.571 CV 1
ASSI { 752}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.082 ppm2 8.572 CV 1
ASSI { 753}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.290 ppm2 8.571 CV 1
ASSI { 754}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.465 ppm2 8.573 CV 1
ASSI { 757}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 12 and name HN ))
4.900 3.000 1.100 peak 757 spectrum 1 weight 0.10000E+01 volume 0.16994E-03 ppm1 8.584 ppm2 8.281 CV 1
ASSI { 762}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.800 1.800 1.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.71575E-03 ppm1 3.899 ppm2 8.840 CV 1
ASSI { 763}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.400 1.500 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.13554E-02 ppm1 1.420 ppm2 8.840 CV 1
OR { 763}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
ASSI { 764}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.615 ppm2 8.842 CV 1
ASSI { 765}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.706 ppm2 8.842 CV 1
ASSI { 766}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HB2 ))
6.000 4.500 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.708 ppm2 1.423 CV 1
OR { 766}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 767}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.708 ppm2 8.671 CV 1
ASSI { 768}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.616 ppm2 8.671 CV 1
ASSI { 769}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 8.671 ppm2 8.839 CV 1
ASSI { 770}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HB2 ))
6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.806 ppm2 2.716 CV 1
ASSI { 771}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
3.600 1.600 1.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 4.863 ppm2 9.839 CV 1
ASSI { 772}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.801 ppm2 9.839 CV 1
ASSI { 773}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.713 ppm2 9.840 CV 1
ASSI { 774}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.48893E-02 ppm1 9.075 ppm2 9.839 CV 1
ASSI { 775}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.88466E-03 ppm1 8.463 ppm2 9.106 CV 1
ASSI { 776}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.300 0.600 0.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.17275E-01 ppm1 4.342 ppm2 8.462 CV 1
ASSI { 777}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.456 ppm2 8.462 CV 1
ASSI { 779}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 8.462 CV 1
ASSI { 780}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
5.200 3.400 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.11067E-03 ppm1 0.901 ppm2 8.462 CV 1
ASSI { 781}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.300 1.400 1.400 peak 781 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 1.121 ppm2 8.462 CV 1
ASSI { 782}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.028 ppm2 9.109 CV 1
ASSI { 783}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HB2 ))
6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.426 ppm2 0.920 CV 1
ASSI { 784}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
3.400 1.500 1.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.13520E-02 ppm1 1.419 ppm2 9.111 CV 1
ASSI { 785}
(( segid " " and resid 21 and name HG ))
(( segid " " and resid 22 and name HN ))
5.100 3.200 0.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.13397E-03 ppm1 1.216 ppm2 9.111 CV 1
ASSI { 786}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 22 and name HN ))
3.700 1.700 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.90454E-03 ppm1 0.395 ppm2 9.109 CV 1
ASSI { 787}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.38751E-02 ppm1 -0.163 ppm2 9.111 CV 1
ASSI { 788}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.916 ppm2 9.109 CV 1
ASSI { 789}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.250 ppm2 8.774 CV 1
ASSI { 790}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.400 0.700 0.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11622E-01 ppm1 4.199 ppm2 8.034 CV 1
ASSI { 791}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.248 ppm2 8.036 CV 1
ASSI { 792}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.196 ppm2 8.036 CV 1
ASSI { 793}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.062 ppm2 8.034 CV 1
ASSI { 794}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.020 ppm2 8.034 CV 1
ASSI { 795}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HB2 ))
6.000 4.500 0.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.227 ppm2 1.813 CV 1
ASSI { 796}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HB3 ))
6.000 4.500 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.227 ppm2 2.059 CV 1
ASSI { 797}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HG2 ))
6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.227 ppm2 2.110 CV 1
ASSI { 798}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.600 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.67737E-02 ppm1 4.109 ppm2 6.790 CV 1
ASSI { 799}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.222 ppm2 6.791 CV 1
ASSI { 800}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.813 ppm2 6.790 CV 1
ASSI { 801}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.060 ppm2 6.790 CV 1
ASSI { 802}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.110 ppm2 6.788 CV 1
ASSI { 803}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
3.800 1.800 1.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.77811E-03 ppm1 6.792 ppm2 8.798 CV 1
ASSI { 804}
( segid " " and resid 11 and name HD% )
( segid " " and resid 11 and name HE% )
1.900 0.400 0.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.52593E-01 ppm1 6.919 ppm2 7.275 CV 1
ASSI { 805}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HE% )
6.000 4.500 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 7.277 CV 1
ASSI { 806}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HD% )
3.300 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 4.453 ppm2 6.915 CV 1
ASSI { 807}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HD% )
2.300 0.700 0.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.13828E-01 ppm1 2.446 ppm2 6.917 CV 1
ASSI { 808}
(( segid " " and resid 11 and name HB3 ))
( segid " " and resid 11 and name HD% )
2.300 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.14010E-01 ppm1 2.697 ppm2 6.917 CV 1
ASSI { 809}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HE% )
4.200 2.200 1.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.39162E-03 ppm1 2.449 ppm2 7.277 CV 1
ASSI { 810}
(( segid " " and resid 11 and name HB3 ))
( segid " " and resid 11 and name HE% )
3.900 1.900 1.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.60440E-03 ppm1 2.697 ppm2 7.277 CV 1
ASSI { 811}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HE% )
4.900 3.000 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.16138E-03 ppm1 6.787 ppm2 7.275 CV 1
ASSI { 812}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.875 ppm2 8.671 CV 1
ASSI { 813}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.54135E-03 ppm1 3.330 ppm2 8.669 CV 1
ASSI { 814}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.453 ppm2 8.280 CV 1
ASSI { 815}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.38443E-02 ppm1 2.444 ppm2 8.280 CV 1
ASSI { 816}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.697 ppm2 8.280 CV 1
ASSI { 817}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.715 ppm2 8.794 CV 1
ASSI { 818}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.861 ppm2 8.794 CV 1
ASSI { 819}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.587 ppm2 8.796 CV 1
ASSI { 820}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.33862E-02 ppm1 4.196 ppm2 8.794 CV 1
ASSI { 821}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.715 ppm2 8.643 CV 1
ASSI { 822}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
3.100 1.200 1.200 peak 822 spectrum 1 weight 0.10000E+01 volume 0.23957E-02 ppm1 4.594 ppm2 3.164 CV 1
ASSI { 823}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
3.800 1.800 1.800 peak 823 spectrum 1 weight 0.10000E+01 volume 0.71541E-03 ppm1 4.594 ppm2 2.836 CV 1
ASSI { 824}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HB2 ))
6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.163 ppm2 2.833 CV 1
ASSI { 825}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.597 ppm2 8.641 CV 1
ASSI { 826}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.160 ppm2 8.641 CV 1
ASSI { 827}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.839 ppm2 8.641 CV 1
ASSI { 829}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
3.400 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.14431E-02 ppm1 4.560 ppm2 2.697 CV 1
ASSI { 830}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB3 ))
3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.86239E-03 ppm1 4.560 ppm2 3.869 CV 1
ASSI { 831}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.83019E-02 ppm1 2.696 ppm2 8.662 CV 1
ASSI { 832}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.871 ppm2 8.662 CV 1
ASSI { 833}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
2.200 0.600 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.17916E-01 ppm1 4.560 ppm2 9.079 CV 1
ASSI { 834}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.871 ppm2 9.079 CV 1
ASSI { 835}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.699 ppm2 9.079 CV 1
ASSI { 836}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.664 ppm2 9.079 CV 1
ASSI { 837}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.830 ppm2 8.662 CV 1
ASSI { 838}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.700 1.700 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.88261E-03 ppm1 2.282 ppm2 8.662 CV 1
ASSI { 839}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.770 ppm2 8.662 CV 1
ASSI { 840}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
3.500 1.500 1.500 peak 840 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 8.463 ppm2 8.662 CV 1
ASSI { 841}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.557 ppm2 8.623 CV 1
ASSI { 842}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 19 and name HN ))
4.100 2.100 1.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.47557E-03 ppm1 3.663 ppm2 8.624 CV 1
ASSI { 843}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 20 and name HN ))
3.800 1.800 1.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.78359E-03 ppm1 4.557 ppm2 8.774 CV 1
ASSI { 844}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.59446E-03 ppm1 3.663 ppm2 8.774 CV 1
ASSI { 845}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.889 ppm2 8.623 CV 1
ASSI { 846}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.468 ppm2 8.623 CV 1
ASSI { 847}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HD2 ))
6.000 4.500 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.082 ppm2 7.067 CV 1
ASSI { 848}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HD2 ))
6.000 4.500 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.380 ppm2 7.067 CV 1
ASSI { 849}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HD2 ))
6.000 4.500 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.690 ppm2 7.067 CV 1
ASSI { 850}
(( segid " " and resid 7 and name HE1 ))
(( segid " " and resid 7 and name HD2 ))
6.000 4.500 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.807 ppm2 7.285 CV 1
ASSI { 851}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD2 ))
4.100 2.100 1.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.45535E-03 ppm1 4.594 ppm2 7.279 CV 1
ASSI { 852}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HE1 ))
4.000 2.000 2.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.53484E-03 ppm1 4.600 ppm2 6.805 CV 1
ASSI { 854}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HD2 ))
6.000 4.500 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.023 ppm2 7.279 CV 1
OR { 854}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HD2 ))
ASSI { 855}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.386 ppm2 9.122 CV 1
ASSI { 856}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.271 ppm2 8.352 CV 1
ASSI { 857}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.386 ppm2 8.352 CV 1
ASSI { 858}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.462 ppm2 8.353 CV 1
ASSI { 859}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.294 ppm2 8.353 CV 1
ASSI { 860}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.987 ppm2 8.353 CV 1
ASSI { 861}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.950 ppm2 8.352 CV 1
ASSI { 862}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 57 and name HN ))
6.000 4.500 0.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.926 ppm2 8.353 CV 1
ASSI { 863}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HN ))
6.000 4.500 0.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.242 ppm2 7.640 CV 1
ASSI { 864}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HN ))
3.800 1.800 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.75926E-03 ppm1 2.928 ppm2 7.639 CV 1
OR { 864}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HN ))
ASSI { 867}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.277 ppm2 8.044 CV 1
ASSI { 868}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 58 and name HN ))
6.000 4.500 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.385 ppm2 8.042 CV 1
ASSI { 869}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.39608E-02 ppm1 7.088 ppm2 9.099 CV 1
ASSI { 870}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 25 and name HN ))
3.800 1.800 1.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.76646E-03 ppm1 7.318 ppm2 9.081 CV 1
ASSI { 872}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 25 and name HN ))
4.100 2.100 1.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.50024E-03 ppm1 5.001 ppm2 9.077 CV 1
ASSI { 873}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.500 1.600 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.11314E-02 ppm1 3.864 ppm2 9.841 CV 1
ASSI { 874}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.78633E-03 ppm1 3.866 ppm2 9.174 CV 1
ASSI { 876}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 48 and name HN ))
3.700 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.94257E-03 ppm1 2.798 ppm2 9.123 CV 1
ASSI { 879}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 48 and name HE1 ))
3.300 1.400 1.400 peak 879 spectrum 1 weight 0.10000E+01 volume 0.16422E-02 ppm1 1.759 ppm2 9.820 CV 1
OR { 879}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 48 and name HE1 ))
ASSI { 880}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 48 and name HE1 ))
2.900 1.100 1.100 peak 880 spectrum 1 weight 0.10000E+01 volume 0.35530E-02 ppm1 0.797 ppm2 9.820 CV 1
ASSI { 881}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 48 and name HE1 ))
3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.33266E-02 ppm1 0.737 ppm2 9.820 CV 1
ASSI { 882}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 48 and name HE1 ))
3.700 1.700 1.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.93640E-03 ppm1 0.527 ppm2 9.822 CV 1
ASSI { 883}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 48 and name HE1 ))
3.600 1.600 1.600 peak 883 spectrum 1 weight 0.10000E+01 volume 0.98094E-03 ppm1 -0.456 ppm2 9.818 CV 1
ASSI { 884}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 32 and name HN ))
3.600 1.600 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.98163E-03 ppm1 -0.159 ppm2 8.744 CV 1
ASSI { 885}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 13 and name HN ))
3.800 1.800 1.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.75755E-03 ppm1 -0.159 ppm2 8.669 CV 1
ASSI { 886}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.31744E-02 ppm1 -0.157 ppm2 8.280 CV 1
ASSI { 887}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 12 and name HN ))
5.400 3.700 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.88055E-04 ppm1 0.408 ppm2 8.279 CV 1
ASSI { 888}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 43 and name HN ))
3.700 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.85657E-03 ppm1 0.584 ppm2 8.607 CV 1
ASSI { 889}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 2.393 ppm2 8.665 CV 1
OR { 889}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 890}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 32 and name HN ))
4.800 2.800 1.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.19530E-03 ppm1 1.837 ppm2 8.742 CV 1
ASSI { 891}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 891 spectrum 1 weight 0.10000E+01 volume 0.24546E-02 ppm1 2.884 ppm2 8.743 CV 1
ASSI { 894}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.600 1.600 1.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 3.334 ppm2 8.160 CV 1
ASSI { 895}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.400 2.400 1.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.31796E-03 ppm1 3.222 ppm2 8.071 CV 1
ASSI { 898}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 13 and name HN ))
3.300 1.400 1.400 peak 898 spectrum 1 weight 0.10000E+01 volume 0.17210E-02 ppm1 5.527 ppm2 8.671 CV 1
ASSI { 899}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 13 and name HN ))
4.400 2.400 1.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.32241E-03 ppm1 5.712 ppm2 8.665 CV 1
ASSI { 900}
(( segid " " and resid 48 and name HZ3 ))
(( segid " " and resid 24 and name HN ))
4.300 2.300 1.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.38203E-03 ppm1 6.639 ppm2 8.664 CV 1
ASSI { 901}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 13 and name HN ))
5.100 3.300 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.12574E-03 ppm1 6.877 ppm2 8.668 CV 1
ASSI { 903}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.78359E-03 ppm1 7.093 ppm2 8.742 CV 1
ASSI { 904}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 14 and name HN ))
3.800 1.800 1.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.75584E-03 ppm1 7.093 ppm2 8.839 CV 1
ASSI { 905}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 13 and name HN ))
3.600 1.600 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.99807E-03 ppm1 7.088 ppm2 8.667 CV 1
ASSI { 906}
( segid " " and resid 41 and name HD% )
(( segid " " and resid 41 and name HN ))
3.500 1.500 1.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.13328E-02 ppm1 7.097 ppm2 8.497 CV 1
ASSI { 907}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 12 and name HN ))
5.800 4.200 0.200 peak 907 spectrum 1 weight 0.10000E+01 volume 0.57904E-04 ppm1 6.912 ppm2 8.279 CV 1
ASSI { 908}
(( segid " " and resid 12 and name HG ))
(( segid " " and resid 12 and name HN ))
3.500 1.600 1.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 7.382 ppm2 8.281 CV 1
ASSI { 909}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 16 and name HN ))
3.300 1.400 1.400 peak 909 spectrum 1 weight 0.10000E+01 volume 0.16710E-02 ppm1 6.915 ppm2 8.159 CV 1
ASSI { 910}
(( segid " " and resid 12 and name HG ))
(( segid " " and resid 17 and name HN ))
3.000 1.200 1.200 peak 910 spectrum 1 weight 0.10000E+01 volume 0.28633E-02 ppm1 7.382 ppm2 8.583 CV 1
ASSI { 911}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 17 and name HN ))
5.700 4.000 0.300 peak 911 spectrum 1 weight 0.10000E+01 volume 0.68183E-04 ppm1 8.281 ppm2 8.586 CV 1
ASSI { 912}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HN ))
6.000 6.000 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.18502E-04 ppm1 8.168 ppm2 8.841 CV 1
ASSI { 913}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 12 and name HG ))
3.800 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.78907E-03 ppm1 5.286 ppm2 7.381 CV 1
ASSI { 915}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 48 and name HE3 ))
2.600 0.900 0.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.68834E-02 ppm1 4.554 ppm2 7.316 CV 1
ASSI { 917}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 11 and name HE% )
3.600 1.600 1.600 peak 917 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 4.170 ppm2 7.277 CV 1
ASSI { 918}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 11 and name HE% )
3.300 1.400 1.400 peak 918 spectrum 1 weight 0.10000E+01 volume 0.17272E-02 ppm1 3.901 ppm2 7.272 CV 1
ASSI { 919}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 35 and name HN ))
3.600 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 3.790 ppm2 7.353 CV 1
ASSI { 920}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 40 and name HN ))
3.300 1.400 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 3.793 ppm2 7.467 CV 1
ASSI { 921}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HN ))
4.100 2.100 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.49167E-03 ppm1 4.168 ppm2 8.071 CV 1
ASSI { 922}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HN ))
4.300 2.300 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.37209E-03 ppm1 4.223 ppm2 7.650 CV 1
ASSI { 923}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 49 and name HE21))
4.300 2.300 1.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.34091E-03 ppm1 2.757 ppm2 7.737 CV 1
OR { 923}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 49 and name HE21))
ASSI { 924}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 30 and name HN ))
4.500 2.500 1.500 peak 924 spectrum 1 weight 0.10000E+01 volume 0.27616E-03 ppm1 2.588 ppm2 7.694 CV 1
ASSI { 925}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 35 and name HN ))
4.300 2.300 1.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.36353E-03 ppm1 2.664 ppm2 7.352 CV 1
ASSI { 926}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 7 and name HD2 ))
4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.35051E-03 ppm1 2.843 ppm2 7.279 CV 1
ASSI { 927}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 30 and name HN ))
4.100 2.100 1.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.50229E-03 ppm1 1.708 ppm2 7.696 CV 1
ASSI { 928}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 49 and name HE21))
2.700 0.900 0.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.53964E-02 ppm1 1.092 ppm2 7.734 CV 1
ASSI { 929}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 15 and name HN ))
4.500 2.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.27753E-03 ppm1 1.840 ppm2 8.070 CV 1
ASSI { 930}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 42 and name HN ))
3.200 1.300 1.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.22387E-02 ppm1 1.525 ppm2 7.419 CV 1
ASSI { 931}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 42 and name HN ))
4.400 2.400 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.32241E-03 ppm1 1.629 ppm2 7.421 CV 1
ASSI { 932}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 42 and name HN ))
6.000 4.800 0.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.38717E-04 ppm1 1.393 ppm2 7.418 CV 1
ASSI { 933}
(( segid " " and resid 36 and name HG ))
(( segid " " and resid 35 and name HN ))
4.100 2.100 1.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.45227E-03 ppm1 1.724 ppm2 7.350 CV 1
ASSI { 934}
(( segid " " and resid 36 and name HG ))
(( segid " " and resid 40 and name HN ))
6.000 5.900 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.21243E-04 ppm1 1.740 ppm2 7.466 CV 1
ASSI { 935}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 40 and name HN ))
4.100 2.100 1.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.44610E-03 ppm1 1.858 ppm2 7.464 CV 1
ASSI { 937}
(( segid " " and resid 9 and name HG2 ))
( segid " " and resid 11 and name HE% )
3.100 1.200 1.200 peak 937 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 2.001 ppm2 7.275 CV 1
ASSI { 938}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 48 and name HD1 ))
3.000 1.100 1.100 peak 938 spectrum 1 weight 0.10000E+01 volume 0.33574E-02 ppm1 1.756 ppm2 7.283 CV 1
OR { 938}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 48 and name HD1 ))
ASSI { 939}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 11 and name HE% )
3.900 1.900 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.62016E-03 ppm1 1.623 ppm2 7.273 CV 1
ASSI { 940}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 11 and name HE% )
3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.71164E-03 ppm1 1.483 ppm2 7.274 CV 1
ASSI { 943}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 48 and name HE3 ))
3.500 1.600 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 0.811 ppm2 7.316 CV 1
ASSI { 944}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 48 and name HE3 ))
4.800 2.900 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.17885E-03 ppm1 0.288 ppm2 7.316 CV 1
ASSI { 947}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 42 and name HN ))
4.800 2.800 1.200 peak 947 spectrum 1 weight 0.10000E+01 volume 0.19427E-03 ppm1 0.580 ppm2 7.418 CV 1
ASSI { 948}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 42 and name HN ))
3.900 1.900 1.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.64654E-03 ppm1 0.790 ppm2 7.419 CV 1
ASSI { 949}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 48 and name HE3 ))
5.300 3.500 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.10484E-03 ppm1 -0.454 ppm2 7.317 CV 1
ASSI { 950}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 48 and name HD1 ))
4.300 2.400 1.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.33509E-03 ppm1 -0.454 ppm2 7.284 CV 1
ASSI { 951}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 48 and name HZ2 ))
5.200 3.400 0.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.11581E-03 ppm1 -0.458 ppm2 7.088 CV 1
ASSI { 952}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 48 and name HZ3 ))
3.700 1.700 1.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.82333E-03 ppm1 -0.456 ppm2 6.633 CV 1
ASSI { 953}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 48 and name HH2 ))
4.200 2.200 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.41013E-03 ppm1 -0.456 ppm2 6.515 CV 1
ASSI { 958}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 48 and name HZ2 ))
3.900 1.900 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.59926E-03 ppm1 0.290 ppm2 7.087 CV 1
ASSI { 959}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 48 and name HZ2 ))
2.100 0.500 0.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.26492E-01 ppm1 0.529 ppm2 7.087 CV 1
ASSI { 960}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 48 and name HZ2 ))
2.200 0.600 0.600 peak 960 spectrum 1 weight 0.10000E+01 volume 0.22637E-01 ppm1 0.797 ppm2 7.087 CV 1
ASSI { 961}
( segid " " and resid 36 and name HD1%)
( segid " " and resid 31 and name HE% )
3.200 1.300 1.300 peak 961 spectrum 1 weight 0.10000E+01 volume 0.20890E-02 ppm1 0.536 ppm2 6.868 CV 1
ASSI { 962}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 11 and name HN ))
3.600 1.600 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.99499E-03 ppm1 0.397 ppm2 6.789 CV 1
ASSI { 963}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 48 and name HH2 ))
2.600 0.800 0.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.78565E-02 ppm1 0.526 ppm2 6.509 CV 1
ASSI { 964}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 48 and name HH2 ))
3.200 1.300 1.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.20403E-02 ppm1 0.794 ppm2 6.511 CV 1
ASSI { 965}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 49 and name HE22))
3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.27965E-02 ppm1 1.091 ppm2 6.680 CV 1
ASSI { 966}
( segid " " and resid 39 and name HB% )
( segid " " and resid 41 and name HE% )
3.700 1.700 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.91653E-03 ppm1 1.249 ppm2 6.796 CV 1
ASSI { 967}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 11 and name HN ))
3.300 1.400 1.400 peak 967 spectrum 1 weight 0.10000E+01 volume 0.17429E-02 ppm1 1.708 ppm2 6.792 CV 1
ASSI { 968}
(( segid " " and resid 13 and name HG3 ))
( segid " " and resid 31 and name HE% )
3.100 1.200 1.200 peak 968 spectrum 1 weight 0.10000E+01 volume 0.26153E-02 ppm1 1.705 ppm2 6.868 CV 1
ASSI { 969}
(( segid " " and resid 51 and name HG2 ))
( segid " " and resid 31 and name HE% )
4.000 2.000 2.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.54649E-03 ppm1 1.923 ppm2 6.868 CV 1
OR { 969}
(( segid " " and resid 51 and name HG3 ))
( segid " " and resid 31 and name HE% )
ASSI { 970}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 31 and name HE% )
4.100 2.100 1.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.48036E-03 ppm1 1.425 ppm2 6.868 CV 1
OR { 970}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 31 and name HE% )
ASSI { 971}
( segid " " and resid 14 and name HG2%)
( segid " " and resid 31 and name HE% )
2.200 0.600 0.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.18509E-01 ppm1 1.286 ppm2 6.870 CV 1
ASSI { 972}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 11 and name HD% )
3.900 1.900 1.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.63592E-03 ppm1 1.189 ppm2 6.915 CV 1
ASSI { 973}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 11 and name HD% )
3.800 1.800 1.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.74145E-03 ppm1 1.314 ppm2 6.916 CV 1
ASSI { 974}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 11 and name HD% )
4.300 2.300 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.36695E-03 ppm1 1.474 ppm2 6.917 CV 1
ASSI { 975}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 11 and name HD% )
3.800 1.800 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.79455E-03 ppm1 1.617 ppm2 6.914 CV 1
ASSI { 976}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 11 and name HD% )
3.500 1.500 1.500 peak 976 spectrum 1 weight 0.10000E+01 volume 0.12598E-02 ppm1 1.812 ppm2 6.916 CV 1
ASSI { 977}
(( segid " " and resid 9 and name HG2 ))
( segid " " and resid 11 and name HD% )
4.400 2.400 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.31967E-03 ppm1 2.002 ppm2 6.917 CV 1
ASSI { 978}
(( segid " " and resid 10 and name HG3 ))
( segid " " and resid 11 and name HD% )
3.900 1.900 1.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.69005E-03 ppm1 2.215 ppm2 6.917 CV 1
ASSI { 979}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 11 and name HD% )
4.100 2.100 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.47488E-03 ppm1 2.061 ppm2 6.915 CV 1
ASSI { 980}
(( segid " " and resid 51 and name HG3 ))
(( segid " " and resid 48 and name HZ2 ))
5.300 3.500 0.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.99019E-04 ppm1 1.925 ppm2 7.086 CV 1
OR { 980}
(( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 48 and name HZ2 ))
ASSI { 982}
( segid " " and resid 14 and name HG2%)
( segid " " and resid 31 and name HD% )
2.400 0.700 0.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.12444E-01 ppm1 1.282 ppm2 7.088 CV 1
ASSI { 983}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 48 and name HZ3 ))
3.900 1.900 1.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.64585E-03 ppm1 2.387 ppm2 6.635 CV 1
OR { 983}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 48 and name HZ3 ))
ASSI { 984}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 48 and name HH2 ))
3.300 1.300 1.300 peak 984 spectrum 1 weight 0.10000E+01 volume 0.18488E-02 ppm1 2.414 ppm2 6.511 CV 1
ASSI { 985}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 48 and name HH2 ))
3.600 1.600 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.10803E-02 ppm1 2.975 ppm2 6.514 CV 1
ASSI { 986}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 48 and name HH2 ))
4.300 2.300 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.35668E-03 ppm1 3.123 ppm2 6.513 CV 1
ASSI { 988}
(( segid " " and resid 51 and name HD3 ))
(( segid " " and resid 48 and name HH2 ))
3.800 1.800 1.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.75447E-03 ppm1 3.361 ppm2 6.513 CV 1
ASSI { 989}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 48 and name HH2 ))
3.100 1.200 1.200 peak 989 spectrum 1 weight 0.10000E+01 volume 0.26403E-02 ppm1 3.533 ppm2 6.510 CV 1
ASSI { 990}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 48 and name HZ3 ))
4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.58452E-03 ppm1 3.535 ppm2 6.636 CV 1
ASSI { 992}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 48 and name HZ3 ))
4.200 2.200 1.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.42691E-03 ppm1 2.692 ppm2 6.638 CV 1
ASSI { 993}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 49 and name HE22))
4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.40293E-03 ppm1 2.764 ppm2 6.679 CV 1
OR { 993}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 49 and name HE22))
ASSI { 994}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 11 and name HN ))
3.800 1.800 1.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.73185E-03 ppm1 2.581 ppm2 6.793 CV 1
ASSI { 995}
(( segid " " and resid 13 and name HD2 ))
( segid " " and resid 31 and name HE% )
3.200 1.200 1.200 peak 995 spectrum 1 weight 0.10000E+01 volume 0.23001E-02 ppm1 3.123 ppm2 6.868 CV 1
ASSI { 997}
(( segid " " and resid 51 and name HD3 ))
( segid " " and resid 31 and name HE% )
4.100 2.100 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.49407E-03 ppm1 3.357 ppm2 6.869 CV 1
ASSI { 998}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 31 and name HE% )
6.000 6.000 0.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.11992E-04 ppm1 3.534 ppm2 6.867 CV 1
ASSI { 999}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 31 and name HE% )
2.700 0.900 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.64208E-02 ppm1 3.743 ppm2 6.869 CV 1
ASSI { 1000}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 48 and name HZ2 ))
2.800 1.000 1.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.47762E-02 ppm1 3.533 ppm2 7.086 CV 1
ASSI { 1001}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.500 1.500 1.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.12317E-02 ppm1 2.664 ppm2 7.113 CV 1
ASSI { 1002}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 31 and name HE% )
6.000 6.000 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.18159E-04 ppm1 2.697 ppm2 6.867 CV 1
ASSI { 1003}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HN ))
4.800 2.800 1.200 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.19530E-03 ppm1 3.790 ppm2 6.658 CV 1
ASSI { 1004}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 36 and name HN ))
5.400 3.600 0.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.93195E-04 ppm1 4.047 ppm2 6.661 CV 1
ASSI { 1005}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 48 and name HZ3 ))
3.900 1.900 1.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.60919E-03 ppm1 3.860 ppm2 6.633 CV 1
ASSI { 1006}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 48 and name HZ3 ))
3.200 1.300 1.300 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.22408E-02 ppm1 4.559 ppm2 6.634 CV 1
ASSI { 1007}
(( segid " " and resid 29 and name HB3 ))
( segid " " and resid 31 and name HE% )
2.900 1.100 1.100 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.37346E-02 ppm1 4.269 ppm2 6.869 CV 1
ASSI { 1008}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 11 and name HD% )
2.200 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.20099E-01 ppm1 4.168 ppm2 6.916 CV 1
ASSI { 1009}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 11 and name HD% )
3.300 1.400 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.16737E-02 ppm1 3.908 ppm2 6.917 CV 1
ASSI { 1011}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 31 and name HD% )
3.200 1.300 1.300 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 5.710 ppm2 7.087 CV 1
ASSI { 1012}
(( segid " " and resid 48 and name HH2 ))
( segid " " and resid 31 and name HE% )
3.500 1.500 1.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.12122E-02 ppm1 6.512 ppm2 6.868 CV 1
ASSI { 1013}
(( segid " " and resid 48 and name HZ3 ))
( segid " " and resid 31 and name HE% )
5.200 3.400 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.11135E-03 ppm1 6.641 ppm2 6.869 CV 1
ASSI { 1015}
(( segid " " and resid 44 and name HG2 ))
( segid " " and resid 22 and name HD1%)
3.800 1.800 1.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.73425E-03 ppm1 1.752 ppm2 -0.459 CV 1
OR { 1015}
(( segid " " and resid 44 and name HG3 ))
( segid " " and resid 22 and name HD1%)
ASSI { 1016}
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 22 and name HD1%)
3.700 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.89631E-03 ppm1 3.356 ppm2 -0.452 CV 1
ASSI { 1018}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 21 and name HD1%)
6.000 5.300 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.28781E-04 ppm1 3.509 ppm2 -0.163 CV 1
ASSI { 1019}
(( segid " " and resid 44 and name HD3 ))
( segid " " and resid 22 and name HD1%)
3.500 1.500 1.500 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 3.638 ppm2 -0.455 CV 1
ASSI { 1020}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 22 and name HD1%)
4.200 2.200 1.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.40875E-03 ppm1 3.868 ppm2 -0.456 CV 1
ASSI { 1022}
(( segid " " and resid 18 and name HA2 ))
( segid " " and resid 21 and name HD1%)
3.400 1.400 1.400 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.15816E-02 ppm1 4.465 ppm2 -0.164 CV 1
ASSI { 1026}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 33 and name HD1%)
2.700 0.900 0.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.62290E-02 ppm1 4.474 ppm2 0.579 CV 1
ASSI { 1028}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 22 and name HD2%)
4.000 2.000 2.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.56431E-03 ppm1 3.034 ppm2 0.289 CV 1
ASSI { 1029}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 22 and name HD2%)
3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.99568E-03 ppm1 3.206 ppm2 0.283 CV 1
ASSI { 1030}
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 22 and name HD2%)
2.800 1.000 1.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.47214E-02 ppm1 3.359 ppm2 0.287 CV 1
ASSI { 1031}
(( segid " " and resid 44 and name HD3 ))
( segid " " and resid 22 and name HD2%)
4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.55917E-03 ppm1 3.623 ppm2 0.287 CV 1
ASSI { 1032}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 22 and name HD2%)
6.000 6.000 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.65099E-05 ppm1 3.788 ppm2 0.287 CV 1
ASSI { 1033}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 22 and name HD2%)
6.000 6.000 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.99362E-05 ppm1 3.871 ppm2 0.288 CV 1
ASSI { 1034}
(( segid " " and resid 18 and name HA1 ))
( segid " " and resid 21 and name HD2%)
3.900 1.900 1.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.67566E-03 ppm1 3.885 ppm2 0.400 CV 1
ASSI { 1035}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 21 and name HD2%)
2.800 1.000 1.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.51052E-02 ppm1 3.509 ppm2 0.399 CV 1
ASSI { 1036}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 21 and name HD2%)
2.800 1.000 1.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.45124E-02 ppm1 3.317 ppm2 0.400 CV 1
ASSI { 1037}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 36 and name HD1%)
3.900 1.900 1.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.62118E-03 ppm1 2.966 ppm2 0.528 CV 1
ASSI { 1038}
(( segid " " and resid 51 and name HD2 ))
( segid " " and resid 36 and name HD1%)
3.900 1.900 1.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.63660E-03 ppm1 3.122 ppm2 0.526 CV 1
ASSI { 1039}
(( segid " " and resid 35 and name HB3 ))
( segid " " and resid 36 and name HD1%)
4.700 2.800 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.21140E-03 ppm1 3.222 ppm2 0.526 CV 1
ASSI { 1040}
(( segid " " and resid 51 and name HD3 ))
( segid " " and resid 36 and name HD1%)
3.200 1.300 1.300 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 3.359 ppm2 0.527 CV 1
ASSI { 1041}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 36 and name HD1%)
4.400 2.400 1.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.30083E-03 ppm1 3.790 ppm2 0.527 CV 1
ASSI { 1042}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 33 and name HD1%)
5.300 3.500 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.10245E-03 ppm1 3.869 ppm2 0.580 CV 1
ASSI { 1043}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 40 and name HD1%)
5.700 4.100 0.300 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.63043E-04 ppm1 3.871 ppm2 0.733 CV 1
ASSI { 1044}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 40 and name HD1%)
6.000 4.500 0.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.782 ppm2 0.730 CV 1
ASSI { 1046}
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 40 and name HD1%)
4.300 2.300 1.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.33989E-03 ppm1 3.356 ppm2 0.733 CV 1
ASSI { 1047}
(( segid " " and resid 51 and name HD3 ))
( segid " " and resid 36 and name HD2%)
3.300 1.300 1.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.18646E-02 ppm1 3.361 ppm2 0.793 CV 1
ASSI { 1049}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 36 and name HD2%)
4.400 2.400 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.31419E-03 ppm1 4.050 ppm2 0.796 CV 1
ASSI { 1053}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 21 and name HD2%)
4.800 2.900 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.18673E-03 ppm1 1.829 ppm2 0.397 CV 1
ASSI { 1054}
(( segid " " and resid 44 and name HG2 ))
( segid " " and resid 22 and name HD2%)
3.200 1.300 1.300 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 1.759 ppm2 0.287 CV 1
OR { 1054}
(( segid " " and resid 44 and name HG3 ))
( segid " " and resid 22 and name HD2%)
ASSI { 1055}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 22 and name HD2%)
4.900 3.100 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.15487E-03 ppm1 1.949 ppm2 0.286 CV 1
ASSI { 1056}
(( segid " " and resid 44 and name HG3 ))
( segid " " and resid 40 and name HD1%)
3.000 1.100 1.100 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.30398E-02 ppm1 1.751 ppm2 0.734 CV 1
OR { 1056}
(( segid " " and resid 44 and name HG2 ))
( segid " " and resid 40 and name HD1%)
ASSI { 1057}
(( segid " " and resid 51 and name HG3 ))
( segid " " and resid 36 and name HD1%)
2.900 1.000 1.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.41766E-02 ppm1 1.921 ppm2 0.527 CV 1
OR { 1057}
(( segid " " and resid 51 and name HG2 ))
( segid " " and resid 36 and name HD1%)
ASSI { 1058}
( segid " " and resid 43 and name HG1%)
( segid " " and resid 33 and name HD1%)
2.700 0.900 0.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.63318E-02 ppm1 0.903 ppm2 0.583 CV 1
OR { 1058}
( segid " " and resid 43 and name HG2%)
( segid " " and resid 33 and name HD1%)
ASSI { 1059}
(( segid " " and resid 35 and name HB3 ))
( segid " " and resid 14 and name HG2%)
2.900 1.000 1.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 3.223 ppm2 1.285 CV 1
ASSI { 1061}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 26 and name HG2%)
3.200 1.300 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.21986E-02 ppm1 2.718 ppm2 1.091 CV 1
ASSI { 1062}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 26 and name HG2%)
3.200 1.300 1.300 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.21959E-02 ppm1 2.796 ppm2 1.090 CV 1
ASSI { 1063}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 14 and name HG1%)
4.200 2.200 1.800 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.41184E-03 ppm1 2.885 ppm2 1.124 CV 1
ASSI { 1064}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 14 and name HG1%)
3.300 1.400 1.400 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.17111E-02 ppm1 2.983 ppm2 1.124 CV 1
ASSI { 1066}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 14 and name HG1%)
3.800 1.800 1.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.77948E-03 ppm1 3.370 ppm2 1.122 CV 1
ASSI { 1067}
(( segid " " and resid 53 and name HB3 ))
( segid " " and resid 54 and name HG2%)
4.000 2.000 2.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.54478E-03 ppm1 2.760 ppm2 0.935 CV 1
OR { 1067}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 54 and name HG2%)
ASSI { 1070}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.600 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.66470E-02 ppm1 3.883 ppm2 1.836 CV 1
ASSI { 1072}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 14 and name HG2%)
3.200 1.300 1.300 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.21603E-02 ppm1 2.885 ppm2 1.291 CV 1
ASSI { 1076}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 11 and name HB2 ))
4.000 2.000 2.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.58452E-03 ppm1 4.164 ppm2 2.445 CV 1
ASSI { 1077}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 11 and name HB3 ))
4.200 2.200 1.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.42349E-03 ppm1 4.162 ppm2 2.693 CV 1
ASSI { 1079}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 50 and name HB3 ))
6.000 4.500 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.213 ppm2 2.384 CV 1
OR { 1079}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
ASSI { 1083}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 12 and name HA ))
3.900 1.900 1.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.59514E-03 ppm1 5.527 ppm2 3.883 CV 1
ASSI { 1084}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.837 ppm2 8.280 CV 1
ASSI { 1085}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.837 ppm2 8.670 CV 1
ASSI { 1086}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HB2 ))
6.000 4.500 0.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.335 ppm2 1.836 CV 1
ASSI { 1087}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.997 ppm2 8.643 CV 1
ASSI { 1088}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HG2 ))
6.000 4.500 0.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.585 ppm2 1.997 CV 1
ASSI { 1089}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.988 ppm2 1.710 CV 1
ASSI { 1090}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG2 ))
6.000 4.500 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.192 ppm2 1.998 CV 1
ASSI { 1091}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 31 and name HE% )
2.900 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 2.380 ppm2 6.868 CV 1
OR { 1091}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 31 and name HE% )
ASSI { 1092}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 48 and name HD1 ))
4.600 2.700 1.400 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.23059E-03 ppm1 1.918 ppm2 7.284 CV 1
ASSI { 1093}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 31 and name HD% )
4.600 2.600 1.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.24258E-03 ppm1 1.420 ppm2 7.088 CV 1
OR { 1093}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 31 and name HD% )
ASSI { 1094}
(( segid " " and resid 10 and name HG2 ))
( segid " " and resid 11 and name HD% )
5.800 4.100 0.200 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.62016E-04 ppm1 2.110 ppm2 6.915 CV 1
ASSI { 1098}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 43 and name HG1%)
3.400 1.400 1.400 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 4.462 ppm2 0.904 CV 1
OR { 1098}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 43 and name HG2%)
ASSI { 1099}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.72500E-03 ppm1 3.884 ppm2 8.741 CV 1
ASSI { 1100}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.878 ppm2 8.843 CV 1
ASSI { 1101}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.886 ppm2 8.070 CV 1
ASSI { 1102}
(( segid " " and resid 36 and name HG ))
(( segid " " and resid 36 and name HB3 ))
6.000 4.500 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.739 ppm2 1.440 CV 1
OR { 1102}
(( segid " " and resid 36 and name HG ))
(( segid " " and resid 36 and name HB2 ))
ASSI { 1103}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 48 and name HD1 ))
4.000 2.000 2.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.51120E-03 ppm1 0.738 ppm2 7.285 CV 1
ASSI { 1104}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HD1 ))
2.600 0.800 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.76749E-02 ppm1 4.504 ppm2 7.283 CV 1
ASSI { 1105}
(( segid " " and resid 48 and name HD1 ))
(( segid " " and resid 49 and name HN ))
4.400 2.400 1.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.30597E-03 ppm1 7.279 ppm2 6.964 CV 1
ASSI { 1107}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 35 and name HN ))
3.500 1.600 1.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 3.269 ppm2 7.352 CV 1
ASSI { 1108}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 34 and name HN ))
6.000 4.900 0.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 3.275 ppm2 7.116 CV 1
ASSI { 1109}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 48 and name HE3 ))
4.300 2.300 1.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.34605E-03 ppm1 2.694 ppm2 7.319 CV 1
ASSI { 1110}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 21 and name HB2 ))
3.800 1.800 1.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.70033E-03 ppm1 3.504 ppm2 0.924 CV 1
ASSI { 1112}
(( segid " " and resid 9 and name HG3 ))
( segid " " and resid 11 and name HE% )
3.800 1.800 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.70204E-03 ppm1 2.583 ppm2 7.276 CV 1
ASSI { 1114}
(( segid " " and resid 49 and name HG2 ))
( segid " " and resid 26 and name HG2%)
3.900 1.900 1.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.67326E-03 ppm1 2.095 ppm2 1.091 CV 1
ASSI { 1117}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 14 and name HB ))
3.700 1.700 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.84937E-03 ppm1 2.883 ppm2 2.293 CV 1
ASSI { 1119}
( segid " " and resid 14 and name HG1%)
( segid " " and resid 31 and name HD% )
4.400 2.400 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.32824E-03 ppm1 1.128 ppm2 7.088 CV 1
ASSI { 1120}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 48 and name HD1 ))
4.800 2.900 1.200 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.17508E-03 ppm1 0.806 ppm2 7.286 CV 1
OR { 1120}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 48 and name HD1 ))
ASSI { 1121}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 31 and name HD% )
3.700 1.700 1.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.91893E-03 ppm1 3.748 ppm2 7.086 CV 1
ASSI { 1122}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 31 and name HD% )
3.700 1.700 1.700 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.91756E-03 ppm1 4.137 ppm2 7.087 CV 1
ASSI { 1123}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 34 and name HD2 ))
4.200 2.200 1.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.43000E-03 ppm1 4.406 ppm2 7.068 CV 1
ASSI { 1125}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.22411E-02 ppm1 8.063 ppm2 8.584 CV 1
ASSI { 1126}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HN ))
3.500 1.500 1.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 7.651 ppm2 8.291 CV 1
ASSI { 1127}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 53 and name HN ))
3.400 1.400 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.15596E-02 ppm1 0.939 ppm2 7.933 CV 1
ASSI { 1128}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.699 ppm2 9.175 CV 1
ASSI { 1130}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 36 and name HD2%)
3.900 1.900 1.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.67086E-03 ppm1 2.970 ppm2 0.792 CV 1
ASSI { 1131}
(( segid " " and resid 51 and name HG3 ))
( segid " " and resid 36 and name HD2%)
4.800 2.900 1.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.18947E-03 ppm1 1.928 ppm2 0.793 CV 1
OR { 1131}
(( segid " " and resid 51 and name HG2 ))
( segid " " and resid 36 and name HD2%)
OR { 1131}
(( segid " " and resid 44 and name HB2 ))
( segid " " and resid 40 and name HD2%)
ASSI { 1132}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 36 and name HD1%)
4.000 2.000 2.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.57356E-03 ppm1 3.537 ppm2 0.529 CV 1
ASSI { 1133}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 33 and name HG2%)
3.400 1.400 1.400 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 3.874 ppm2 0.783 CV 1
ASSI { 1134}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 14 and name HG1%)
4.000 2.000 2.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.55197E-03 ppm1 4.918 ppm2 1.123 CV 1
ASSI { 1136}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 39 and name HB% )
2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.11848E-01 ppm1 4.695 ppm2 1.251 CV 1
ASSI { 1138}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 28 and name HB3 ))
5.000 3.100 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.14116E-03 ppm1 4.595 ppm2 2.118 CV 1
OR { 1138}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 1139}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HG3 ))
4.600 2.700 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.23504E-03 ppm1 3.870 ppm2 1.752 CV 1
OR { 1139}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HG2 ))
ASSI { 1141}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 50 and name HB3 ))
3.400 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 3.862 ppm2 2.385 CV 1
OR { 1141}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
ASSI { 1142}
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 33 and name HD1%)
3.400 1.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 3.363 ppm2 0.578 CV 1
ASSI { 1143}
( segid " " and resid 14 and name HG2%)
(( segid " " and resid 13 and name HN ))
3.800 1.800 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.72329E-03 ppm1 1.286 ppm2 8.671 CV 1
ASSI { 1144}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 43 and name HN ))
4.300 2.300 1.700 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.35119E-03 ppm1 3.633 ppm2 8.606 CV 1
ASSI { 1145}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 50 and name HN ))
3.500 1.500 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.12386E-02 ppm1 4.552 ppm2 9.223 CV 1
ASSI { 1146}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 33 and name HN ))
3.600 1.600 1.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 7.458 ppm2 9.207 CV 1
ASSI { 1148}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 13 and name HN ))
3.800 1.800 1.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.72671E-03 ppm1 7.698 ppm2 8.669 CV 1
ASSI { 1149}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HN ))
3.900 2.000 2.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.59309E-03 ppm1 7.355 ppm2 8.742 CV 1
ASSI { 1150}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 17 and name HN ))
3.600 1.700 1.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.97101E-03 ppm1 6.918 ppm2 8.584 CV 1
ASSI { 1152}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 40 and name HN ))
4.400 2.500 1.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.29603E-03 ppm1 6.665 ppm2 7.460 CV 1
ASSI { 1153}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 36 and name HN ))
3.800 1.800 1.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.72466E-03 ppm1 4.691 ppm2 6.661 CV 1
ASSI { 1154}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 21 and name HD2%)
3.500 1.500 1.500 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 2.442 ppm2 0.399 CV 1
ASSI { 1155}
( segid " " and resid 14 and name HG2%)
( segid " " and resid 36 and name HD1%)
3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.10238E-02 ppm1 1.286 ppm2 0.529 CV 1
ASSI { 1156}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 33 and name HD1%)
3.800 1.800 1.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.69896E-03 ppm1 1.519 ppm2 0.580 CV 1
ASSI { 1158}
( segid " " and resid 39 and name HB% )
(( segid " " and resid 36 and name HN ))
3.700 1.700 1.700 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.86719E-03 ppm1 1.258 ppm2 6.661 CV 1
ASSI { 1159}
( segid " " and resid 36 and name HD2%)
( segid " " and resid 31 and name HE% )
3.500 1.600 1.600 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.11499E-02 ppm1 0.788 ppm2 6.868 CV 1
ASSI { 1160}
(( segid " " and resid 14 and name HB ))
( segid " " and resid 31 and name HD% )
3.700 1.700 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.87199E-03 ppm1 2.297 ppm2 7.085 CV 1
ASSI { 1161}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 11 and name HD% )
3.500 1.500 1.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.12886E-02 ppm1 5.276 ppm2 6.917 CV 1
ASSI { 1162}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HD1 ))
3.200 1.300 1.300 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.21592E-02 ppm1 3.201 ppm2 7.285 CV 1
ASSI { 1163}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 7 and name HD2 ))
3.400 1.500 1.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.13554E-02 ppm1 3.157 ppm2 7.278 CV 1
ASSI { 1164}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 12 and name HG ))
4.300 2.300 1.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.34503E-03 ppm1 7.089 ppm2 7.384 CV 1
ASSI { 1165}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 48 and name HD1 ))
4.500 2.500 1.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.28301E-03 ppm1 0.288 ppm2 7.286 CV 1
ASSI { 1166}
(( segid " " and resid 29 and name HB3 ))
( segid " " and resid 31 and name HD% )
3.800 1.800 1.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.78839E-03 ppm1 4.261 ppm2 7.088 CV 1
ASSI { 1167}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 28 and name HG3 ))
4.700 2.700 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.22065E-03 ppm1 4.595 ppm2 1.925 CV 1
ASSI { 1168}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HN ))
3.600 1.600 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 3.906 ppm2 8.161 CV 1
ASSI { 1170}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HG ))
4.600 2.700 1.400 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.23401E-03 ppm1 4.456 ppm2 7.379 CV 1
ASSI { 1172}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG ))
2.800 1.000 1.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.51257E-02 ppm1 1.841 ppm2 7.379 CV 1
ASSI { 1175}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HG ))
2.800 1.000 1.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.50572E-02 ppm1 3.330 ppm2 7.379 CV 1
ASSI { 1176}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG ))
3.900 1.900 1.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.61056E-03 ppm1 3.882 ppm2 7.379 CV 1
Contact the webmaster for help, if required. Friday, April 19, 2024 2:10:19 PM GMT (wattos1)