NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8348 |
1m36   |
5464 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.600 0.900 0.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.51845E-02 ppm1 5.105 ppm2 9.202 CV 1
ASSI { 3}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.30154E-02 ppm1 2.607 ppm2 9.202 CV 1
ASSI { 4}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HN ))
2.600 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.62191E-02 ppm1 2.204 ppm2 9.202 CV 1
ASSI { 6}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.34573E-02 ppm1 1.901 ppm2 9.202 CV 1
ASSI { 7}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
2.500 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.65492E-02 ppm1 5.104 ppm2 2.034 CV 1
ASSI { 8}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.300 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.13207E-01 ppm1 5.104 ppm2 1.891 CV 1
ASSI { 9}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.23178E-02 ppm1 5.104 ppm2 2.198 CV 1
ASSI { 10}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG3 ))
3.100 1.200 1.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.17641E-02 ppm1 5.104 ppm2 2.604 CV 1
ASSI { 11}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HG2 ))
6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.610 ppm2 2.198 CV 1
ASSI { 12}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.610 ppm2 2.035 CV 1
ASSI { 13}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB2 ))
2.500 0.800 0.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.64656E-02 ppm1 2.605 ppm2 1.889 CV 1
ASSI { 14}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.205 ppm2 2.034 CV 1
ASSI { 15}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.38255E-02 ppm1 2.208 ppm2 1.892 CV 1
ASSI { 16}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HB2 ))
2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.13703E-01 ppm1 2.042 ppm2 1.891 CV 1
ASSI { 17}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10148E-01 ppm1 4.546 ppm2 9.023 CV 1
ASSI { 18}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.400 2.400 3.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.98011E-02 ppm1 3.483 ppm2 9.023 CV 1
ASSI { 19}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.76482E-02 ppm1 3.043 ppm2 9.024 CV 1
ASSI { 20}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
3.000 1.200 1.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.21429E-02 ppm1 4.556 ppm2 3.480 CV 1
ASSI { 21}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
3.100 1.200 1.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.20268E-02 ppm1 4.553 ppm2 3.039 CV 1
ASSI { 22}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HB2 ))
2.000 0.500 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.23851E-01 ppm1 3.487 ppm2 3.037 CV 1
ASSI { 23}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.272 ppm2 8.856 CV 1
ASSI { 24}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.711 ppm2 8.856 CV 1
ASSI { 25}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.378 ppm2 8.857 CV 1
ASSI { 26}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 3.704 CV 1
ASSI { 27}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.300 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11947E-01 ppm1 4.264 ppm2 3.369 CV 1
ASSI { 28}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HB2 ))
2.000 0.500 0.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.28978E-01 ppm1 3.714 ppm2 3.371 CV 1
ASSI { 29}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.041 ppm2 8.840 CV 1
ASSI { 30}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.32802E-02 ppm1 3.200 ppm2 8.840 CV 1
ASSI { 31}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HN ))
2.400 2.400 3.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.95957E-02 ppm1 3.082 ppm2 8.840 CV 1
ASSI { 32}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 8.843 CV 1
ASSI { 33}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HG3 ))
2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.35224E-02 ppm1 4.037 ppm2 3.204 CV 1
ASSI { 34}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HG2 ))
2.600 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.50712E-02 ppm1 4.037 ppm2 3.081 CV 1
ASSI { 35}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.037 ppm2 2.248 CV 1
ASSI { 36}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HB2 ))
2.800 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.36853E-02 ppm1 3.206 ppm2 2.249 CV 1
ASSI { 38}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HG2 ))
2.400 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.94257E-02 ppm1 3.201 ppm2 3.075 CV 1
ASSI { 42}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.49027E-02 ppm1 4.026 ppm2 8.312 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.568 ppm2 8.312 CV 1
ASSI { 45}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.500 0.800 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.66943E-02 ppm1 1.092 ppm2 8.312 CV 1
ASSI { 46}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 9 and name HN ))
3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10162E-02 ppm1 0.877 ppm2 8.312 CV 1
ASSI { 47}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 9 and name HN ))
2.800 2.800 3.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.32427E-02 ppm1 0.624 ppm2 8.311 CV 1
ASSI { 48}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.18632E-02 ppm1 -0.133 ppm2 8.312 CV 1
ASSI { 49}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.021 ppm2 1.552 CV 1
ASSI { 50}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.500 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.74358E-02 ppm1 4.022 ppm2 1.087 CV 1
ASSI { 51}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG ))
6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 0.871 CV 1
ASSI { 52}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HD2%)
3.000 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.22045E-02 ppm1 4.017 ppm2 0.617 CV 1
ASSI { 54}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 9 and name HD1%)
2.200 2.200 3.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.15679E-01 ppm1 1.561 ppm2 -0.138 CV 1
ASSI { 55}
(( segid " " and resid 9 and name HB2 ))
( segid " " and resid 9 and name HD1%)
2.300 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11394E-01 ppm1 1.099 ppm2 -0.138 CV 1
ASSI { 56}
( segid " " and resid 9 and name HD2%)
( segid " " and resid 9 and name HD1%)
1.900 0.500 0.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31797E-01 ppm1 0.629 ppm2 -0.135 CV 1
ASSI { 57}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 9 and name HD1%)
2.100 0.500 0.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.21705E-01 ppm1 0.883 ppm2 -0.140 CV 1
ASSI { 58}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 9 and name HD2%)
2.100 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.18427E-01 ppm1 1.561 ppm2 0.617 CV 1
ASSI { 59}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 1.088 CV 1
ASSI { 62}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 9 and name HD2%)
2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.24149E-01 ppm1 0.872 ppm2 0.617 CV 1
ASSI { 63}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HG ))
6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.557 ppm2 0.872 CV 1
ASSI { 67}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.300 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11501E-01 ppm1 4.300 ppm2 8.625 CV 1
ASSI { 68}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.026 ppm2 8.623 CV 1
OR { 68}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HN ))
ASSI { 69}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 8.624 CV 1
ASSI { 70}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.857 ppm2 8.624 CV 1
ASSI { 71}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 1.706 ppm2 8.624 CV 1
OR { 71}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 72}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HN ))
2.900 2.900 3.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.26847E-02 ppm1 1.561 ppm2 8.624 CV 1
ASSI { 73}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HN ))
3.400 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 1.502 ppm2 8.624 CV 1
ASSI { 74}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.65789E-02 ppm1 4.300 ppm2 1.943 CV 1
ASSI { 75}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.48368E-02 ppm1 4.300 ppm2 1.848 CV 1
ASSI { 76}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HD2 ))
6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.302 ppm2 1.701 CV 1
OR { 76}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HD3 ))
ASSI { 77}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG3 ))
3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.90858E-03 ppm1 4.300 ppm2 1.554 CV 1
ASSI { 78}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG2 ))
3.100 1.200 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.19808E-02 ppm1 4.300 ppm2 1.494 CV 1
ASSI { 79}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.027 ppm2 1.944 CV 1
OR { 79}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 93}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HG2 ))
6.000 4.500 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.565 ppm2 1.494 CV 1
ASSI { 94}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 4.545 ppm2 8.562 CV 1
ASSI { 95}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
2.600 2.600 3.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.60407E-02 ppm1 2.825 ppm2 8.559 CV 1
ASSI { 96}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.90150E-02 ppm1 2.714 ppm2 8.559 CV 1
ASSI { 97}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HB2 ))
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.48963E-02 ppm1 2.829 ppm2 2.704 CV 1
ASSI { 99}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.34105E-02 ppm1 4.550 ppm2 2.706 CV 1
ASSI { 100}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.500 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.63410E-02 ppm1 4.547 ppm2 2.820 CV 1
ASSI { 101}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.20487E-02 ppm1 4.371 ppm2 8.542 CV 1
ASSI { 102}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.191 ppm2 8.542 CV 1
OR { 102}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HN ))
ASSI { 103}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.848 ppm2 8.542 CV 1
ASSI { 104}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.753 ppm2 8.542 CV 1
ASSI { 105}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.635 ppm2 8.542 CV 1
OR { 105}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HN ))
ASSI { 106}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HD3 ))
6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.374 ppm2 3.187 CV 1
OR { 106}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HD2 ))
ASSI { 107}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG3 ))
6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.369 ppm2 1.845 CV 1
ASSI { 108}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG2 ))
6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 1.747 CV 1
ASSI { 109}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 1.630 CV 1
OR { 109}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB3 ))
ASSI { 110}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HG3 ))
6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.197 ppm2 1.846 CV 1
OR { 110}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HG3 ))
ASSI { 111}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HG2 ))
6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.193 ppm2 1.747 CV 1
OR { 111}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HG2 ))
ASSI { 112}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.193 ppm2 1.630 CV 1
OR { 112}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HB2 ))
OR { 112}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HB3 ))
ASSI { 113}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HG2 ))
6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.829 ppm2 1.747 CV 1
ASSI { 114}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.829 ppm2 1.630 CV 1
OR { 114}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HB2 ))
ASSI { 115}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.748 ppm2 1.622 CV 1
OR { 115}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HB3 ))
ASSI { 116}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HE ))
6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.634 ppm2 7.204 CV 1
OR { 116}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HE ))
ASSI { 117}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HE ))
6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 7.204 CV 1
ASSI { 118}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HE ))
6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.848 ppm2 7.204 CV 1
ASSI { 119}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HE ))
6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.201 ppm2 7.205 CV 1
OR { 119}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HE ))
ASSI { 120}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HE ))
6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 7.202 CV 1
ASSI { 121}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
3.500 1.600 1.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.89725E-03 ppm1 3.356 ppm2 8.516 CV 1
ASSI { 122}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HN ))
3.600 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.77049E-03 ppm1 3.144 ppm2 8.517 CV 1
OR { 122}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 125}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.92770E-02 ppm1 1.653 ppm2 8.518 CV 1
ASSI { 126}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.72587E-02 ppm1 1.547 ppm2 8.516 CV 1
ASSI { 127}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.32661E-02 ppm1 1.405 ppm2 8.517 CV 1
OR { 127}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 128}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HE ))
3.800 1.800 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.60761E-03 ppm1 1.398 ppm2 7.268 CV 1
OR { 128}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HE ))
ASSI { 129}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HE ))
6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.541 ppm2 7.269 CV 1
ASSI { 130}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HE ))
6.000 4.500 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.654 ppm2 7.268 CV 1
ASSI { 131}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HE ))
6.000 4.500 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.146 ppm2 7.268 CV 1
OR { 131}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HE ))
ASSI { 132}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HE ))
6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.343 ppm2 7.266 CV 1
ASSI { 133}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD2 ))
6.000 4.500 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.358 ppm2 3.129 CV 1
OR { 133}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD3 ))
ASSI { 134}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
2.600 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.51491E-02 ppm1 3.354 ppm2 1.400 CV 1
OR { 134}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 135}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.87601E-02 ppm1 3.351 ppm2 1.538 CV 1
ASSI { 136}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.77190E-02 ppm1 3.351 ppm2 1.646 CV 1
ASSI { 137}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HB3 ))
2.900 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.28971E-02 ppm1 3.146 ppm2 1.646 CV 1
OR { 137}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 138}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HB2 ))
3.000 1.100 1.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.25699E-02 ppm1 3.146 ppm2 1.537 CV 1
OR { 138}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 139}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HG2 ))
2.100 0.500 0.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.22152E-01 ppm1 3.146 ppm2 1.399 CV 1
OR { 139}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HG3 ))
OR { 139}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 140}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.654 ppm2 1.535 CV 1
ASSI { 141}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG3 ))
6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.654 ppm2 1.402 CV 1
OR { 141}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 142}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG2 ))
6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.547 ppm2 1.400 CV 1
OR { 142}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 143}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.545 ppm2 8.512 CV 1
ASSI { 144}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.313 ppm2 8.510 CV 1
ASSI { 145}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
2.300 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.11536E-01 ppm1 2.430 ppm2 8.509 CV 1
ASSI { 146}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.44940E-02 ppm1 4.538 ppm2 3.303 CV 1
ASSI { 147}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.48701E-02 ppm1 4.532 ppm2 2.420 CV 1
ASSI { 148}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HB2 ))
2.100 0.500 0.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.22421E-01 ppm1 3.308 ppm2 2.423 CV 1
ASSI { 149}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HE3 ))
6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.305 ppm2 3.028 CV 1
OR { 149}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HE2 ))
ASSI { 150}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 18 and name HB2 ))
6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.028 ppm2 1.852 CV 1
OR { 150}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 151}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 18 and name HD3 ))
6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.028 ppm2 1.702 CV 1
OR { 151}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HD2 ))
OR { 151}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HD3 ))
ASSI { 152}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HG3 ))
6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.027 ppm2 1.555 CV 1
OR { 152}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 153}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HG2 ))
6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.028 ppm2 1.494 CV 1
OR { 153}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 18 and name HG2 ))
ASSI { 172}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
3.500 1.600 1.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.87459E-03 ppm1 4.847 ppm2 8.419 CV 1
ASSI { 173}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.846 ppm2 8.419 CV 1
ASSI { 174}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.794 ppm2 8.419 CV 1
ASSI { 175}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.500 0.800 0.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.79386E-02 ppm1 4.839 ppm2 2.837 CV 1
ASSI { 176}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.46300E-02 ppm1 4.836 ppm2 2.777 CV 1
ASSI { 177}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.74216E-02 ppm1 3.897 ppm2 8.399 CV 1
ASSI { 178}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 1.915 ppm2 8.402 CV 1
ASSI { 180}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.18689E-02 ppm1 1.845 ppm2 8.402 CV 1
ASSI { 181}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.700 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.69542E-03 ppm1 1.779 ppm2 8.402 CV 1
ASSI { 182}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.680 ppm2 8.402 CV 1
ASSI { 183}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG3 ))
3.200 1.300 1.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.15275E-02 ppm1 3.909 ppm2 1.911 CV 1
ASSI { 195}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.012 ppm2 8.379 CV 1
ASSI { 196}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HN ))
2.400 2.400 3.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.99852E-02 ppm1 2.546 ppm2 8.379 CV 1
ASSI { 197}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.24736E-02 ppm1 2.371 ppm2 8.379 CV 1
ASSI { 198}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.200 2.200 3.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.17322E-01 ppm1 2.257 ppm2 8.379 CV 1
ASSI { 199}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.100 2.100 3.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.22336E-01 ppm1 2.143 ppm2 8.379 CV 1
ASSI { 200}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG3 ))
6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.016 ppm2 2.531 CV 1
ASSI { 201}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG2 ))
6.000 4.500 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.018 ppm2 2.367 CV 1
ASSI { 202}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB3 ))
6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.018 ppm2 2.255 CV 1
ASSI { 203}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.016 ppm2 2.137 CV 1
ASSI { 204}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HG2 ))
6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.539 ppm2 2.368 CV 1
ASSI { 205}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HB3 ))
6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.537 ppm2 2.253 CV 1
ASSI { 206}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HB2 ))
6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.539 ppm2 2.137 CV 1
ASSI { 207}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HB3 ))
6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.370 ppm2 2.254 CV 1
ASSI { 208}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HB2 ))
6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.372 ppm2 2.137 CV 1
ASSI { 209}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HB2 ))
6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.260 ppm2 2.136 CV 1
ASSI { 210}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB3 ))
3.600 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.76412E-03 ppm1 4.587 ppm2 1.645 CV 1
ASSI { 211}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.588 ppm2 1.549 CV 1
ASSI { 212}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.588 ppm2 1.537 CV 1
ASSI { 213}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.655 ppm2 1.524 CV 1
ASSI { 214}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.569 ppm2 1.523 CV 1
ASSI { 215}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HB2 ))
6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 1.565 CV 1
ASSI { 217}
(( segid " " and resid 4 and name HG ))
( segid " " and resid 4 and name HD1%)
6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 0.902 CV 1
OR { 217}
(( segid " " and resid 4 and name HG ))
( segid " " and resid 4 and name HD2%)
ASSI { 218}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 4 and name HD2%)
6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.572 ppm2 0.900 CV 1
OR { 218}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 4 and name HD1%)
ASSI { 219}
(( segid " " and resid 4 and name HB3 ))
( segid " " and resid 4 and name HD1%)
6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 0.900 CV 1
OR { 219}
(( segid " " and resid 4 and name HB3 ))
( segid " " and resid 4 and name HD2%)
ASSI { 220}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 4 and name HD1%)
2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.69436E-02 ppm1 4.589 ppm2 0.902 CV 1
OR { 220}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 4 and name HD2%)
ASSI { 221}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.594 ppm2 8.290 CV 1
ASSI { 222}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.650 ppm2 8.293 CV 1
ASSI { 223}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.549 ppm2 8.293 CV 1
ASSI { 224}
(( segid " " and resid 4 and name HG ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 8.293 CV 1
ASSI { 225}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.907 ppm2 8.293 CV 1
OR { 225}
( segid " " and resid 4 and name HD2%)
(( segid " " and resid 4 and name HN ))
ASSI { 226}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.77120E-02 ppm1 4.108 ppm2 8.260 CV 1
ASSI { 227}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.886 ppm2 8.264 CV 1
OR { 227}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HN ))
ASSI { 228}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.599 ppm2 8.260 CV 1
OR { 228}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
ASSI { 229}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.581 ppm2 8.260 CV 1
OR { 229}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HN ))
ASSI { 230}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
3.200 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.15396E-02 ppm1 1.187 ppm2 8.260 CV 1
ASSI { 231}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HN ))
3.300 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.12790E-02 ppm1 1.261 ppm2 8.260 CV 1
ASSI { 232}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.275 ppm2 1.176 CV 1
ASSI { 233}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.579 ppm2 1.176 CV 1
OR { 233}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 234}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.582 ppm2 1.255 CV 1
OR { 234}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG3 ))
ASSI { 235}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.601 ppm2 1.176 CV 1
OR { 235}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 236}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.604 ppm2 1.256 CV 1
OR { 236}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG3 ))
ASSI { 237}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD3 ))
6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.601 ppm2 1.572 CV 1
OR { 237}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
OR { 237}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HD3 ))
ASSI { 238}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.889 ppm2 1.177 CV 1
OR { 238}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 239}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.887 ppm2 1.255 CV 1
OR { 239}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HG3 ))
ASSI { 240}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HD3 ))
6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.889 ppm2 1.571 CV 1
OR { 240}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HD2 ))
OR { 240}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HD3 ))
ASSI { 241}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.889 ppm2 1.595 CV 1
OR { 241}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HB2 ))
OR { 241}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HB3 ))
OR { 241}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 242}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
2.500 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.63898E-02 ppm1 4.114 ppm2 1.595 CV 1
OR { 242}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 243}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.114 ppm2 1.571 CV 1
OR { 243}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD3 ))
ASSI { 244}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG3 ))
3.400 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 4.107 ppm2 1.259 CV 1
ASSI { 245}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
3.100 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.18823E-02 ppm1 4.107 ppm2 1.177 CV 1
ASSI { 246}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HE3 ))
6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.114 ppm2 2.883 CV 1
OR { 246}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HE2 ))
ASSI { 247}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.44246E-02 ppm1 4.868 ppm2 8.191 CV 1
ASSI { 248}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 248 spectrum 1 weight 0.10000E+01 volume 0.23016E-02 ppm1 3.206 ppm2 8.196 CV 1
ASSI { 249}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.40507E-02 ppm1 2.669 ppm2 8.196 CV 1
ASSI { 250}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HB2 ))
2.000 0.500 0.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.26287E-01 ppm1 3.211 ppm2 2.664 CV 1
ASSI { 251}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.600 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.55351E-02 ppm1 4.870 ppm2 2.670 CV 1
ASSI { 252}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.200 0.600 0.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.16741E-01 ppm1 4.873 ppm2 3.205 CV 1
ASSI { 253}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.29885E-01 ppm1 3.967 ppm2 8.063 CV 1
ASSI { 254}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.20650E-02 ppm1 2.012 ppm2 8.060 CV 1
ASSI { 255}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.43425E-02 ppm1 1.559 ppm2 8.059 CV 1
ASSI { 256}
(( segid " " and resid 14 and name HG ))
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.41123E-02 ppm1 1.345 ppm2 8.059 CV 1
ASSI { 257}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.28235E-02 ppm1 0.859 ppm2 8.062 CV 1
ASSI { 258}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HN ))
2.400 2.400 3.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.91283E-02 ppm1 0.774 ppm2 8.058 CV 1
ASSI { 259}
( segid " " and resid 14 and name HD2%)
( segid " " and resid 14 and name HD1%)
2.300 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10948E-01 ppm1 0.860 ppm2 0.767 CV 1
ASSI { 260}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 14 and name HD1%)
2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.46307E-02 ppm1 1.347 ppm2 0.767 CV 1
ASSI { 261}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD1%)
2.400 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.90929E-02 ppm1 1.567 ppm2 0.767 CV 1
ASSI { 262}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HD1%)
2.600 0.900 0.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.51073E-02 ppm1 2.019 ppm2 0.767 CV 1
ASSI { 263}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HD2%)
2.300 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.12775E-01 ppm1 2.018 ppm2 0.852 CV 1
ASSI { 264}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HG ))
2.200 2.200 3.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.14666E-01 ppm1 2.021 ppm2 1.335 CV 1
ASSI { 265}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HB2 ))
1.900 0.400 0.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.41895E-01 ppm1 2.020 ppm2 1.552 CV 1
ASSI { 266}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD2%)
6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.567 ppm2 0.854 CV 1
ASSI { 267}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HG ))
6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.568 ppm2 1.335 CV 1
ASSI { 268}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 14 and name HD2%)
2.300 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.10290E-01 ppm1 1.347 ppm2 0.849 CV 1
ASSI { 269}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD1%)
6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.974 ppm2 0.770 CV 1
ASSI { 270}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD2%)
6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.974 ppm2 0.854 CV 1
ASSI { 271}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG ))
2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.45861E-02 ppm1 3.973 ppm2 1.333 CV 1
ASSI { 272}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.300 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.10559E-01 ppm1 3.974 ppm2 1.556 CV 1
ASSI { 273}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
3.000 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.21861E-02 ppm1 3.974 ppm2 2.011 CV 1
ASSI { 274}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HD3 ))
6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 3.819 CV 1
ASSI { 275}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HD2 ))
6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 3.624 CV 1
ASSI { 276}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HD2 ))
1.900 0.500 0.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.35458E-01 ppm1 3.825 ppm2 3.624 CV 1
ASSI { 277}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB3 ))
2.300 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.13129E-01 ppm1 4.382 ppm2 2.250 CV 1
ASSI { 278}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG3 ))
3.200 1.300 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.16493E-02 ppm1 4.382 ppm2 1.984 CV 1
OR { 278}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 279}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB2 ))
6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.384 ppm2 1.792 CV 1
ASSI { 280}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HB3 ))
6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.824 ppm2 2.252 CV 1
ASSI { 281}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HB3 ))
6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.626 ppm2 2.250 CV 1
ASSI { 282}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HG3 ))
2.100 0.600 0.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.19404E-01 ppm1 3.825 ppm2 1.982 CV 1
ASSI { 283}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HG2 ))
2.200 0.600 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13979E-01 ppm1 3.626 ppm2 1.981 CV 1
OR { 283}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HG3 ))
ASSI { 284}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HB2 ))
3.100 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.20147E-02 ppm1 3.825 ppm2 1.792 CV 1
ASSI { 285}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HB2 ))
2.900 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.29432E-02 ppm1 3.628 ppm2 1.793 CV 1
ASSI { 286}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HB2 ))
2.400 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.99356E-02 ppm1 2.254 ppm2 1.799 CV 1
ASSI { 287}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HB2 ))
6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.988 ppm2 1.799 CV 1
OR { 287}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 288}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HG3 ))
6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.257 ppm2 1.983 CV 1
ASSI { 299}
(( segid " " and resid 31 and name HA2 ))
(( segid " " and resid 31 and name HN ))
2.300 0.700 0.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.10205E-01 ppm1 3.113 ppm2 7.931 CV 1
ASSI { 300}
(( segid " " and resid 31 and name HA1 ))
(( segid " " and resid 31 and name HN ))
2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.11387E-01 ppm1 2.967 ppm2 7.931 CV 1
ASSI { 301}
(( segid " " and resid 31 and name HA2 ))
(( segid " " and resid 31 and name HA1 ))
2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.33404E-02 ppm1 3.123 ppm2 2.963 CV 1
ASSI { 302}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10148E-01 ppm1 3.796 ppm2 7.568 CV 1
ASSI { 303}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10127E-01 ppm1 1.695 ppm2 7.570 CV 1
ASSI { 304}
(( segid " " and resid 22 and name HG13))
(( segid " " and resid 22 and name HN ))
2.300 2.300 3.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.10509E-01 ppm1 1.516 ppm2 7.570 CV 1
ASSI { 305}
(( segid " " and resid 22 and name HG12))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.158 ppm2 7.571 CV 1
ASSI { 306}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.42943E-02 ppm1 1.076 ppm2 7.570 CV 1
ASSI { 307}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.46711E-02 ppm1 0.908 ppm2 7.572 CV 1
ASSI { 308}
(( segid " " and resid 22 and name HB ))
( segid " " and resid 22 and name HD1%)
6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.693 ppm2 0.902 CV 1
ASSI { 309}
(( segid " " and resid 22 and name HG13))
( segid " " and resid 22 and name HD1%)
6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.511 ppm2 0.902 CV 1
ASSI { 310}
(( segid " " and resid 22 and name HG12))
( segid " " and resid 22 and name HD1%)
2.600 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.55492E-02 ppm1 1.155 ppm2 0.899 CV 1
ASSI { 311}
( segid " " and resid 22 and name HG2%)
( segid " " and resid 22 and name HD1%)
2.500 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.62581E-02 ppm1 1.082 ppm2 0.898 CV 1
ASSI { 312}
(( segid " " and resid 22 and name HB ))
( segid " " and resid 22 and name HG2%)
6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.691 ppm2 1.066 CV 1
ASSI { 313}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HG12))
6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.693 ppm2 1.156 CV 1
ASSI { 314}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HG13))
6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.693 ppm2 1.503 CV 1
ASSI { 315}
(( segid " " and resid 22 and name HG13))
( segid " " and resid 22 and name HG2%)
6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.511 ppm2 1.071 CV 1
ASSI { 316}
(( segid " " and resid 22 and name HG13))
(( segid " " and resid 22 and name HG12))
6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.511 ppm2 1.156 CV 1
ASSI { 317}
(( segid " " and resid 22 and name HG12))
( segid " " and resid 22 and name HG2%)
6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.165 ppm2 1.071 CV 1
ASSI { 318}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HD1%)
6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.797 ppm2 0.903 CV 1
ASSI { 319}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HG2%)
2.300 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.10601E-01 ppm1 3.795 ppm2 1.066 CV 1
ASSI { 320}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG12))
2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.66851E-02 ppm1 3.797 ppm2 1.156 CV 1
ASSI { 321}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG13))
2.700 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.49303E-02 ppm1 3.797 ppm2 1.504 CV 1
ASSI { 322}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB ))
2.700 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.46314E-02 ppm1 3.797 ppm2 1.686 CV 1
ASSI { 323}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.200 0.600 0.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.13788E-01 ppm1 4.180 ppm2 7.999 CV 1
ASSI { 324}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.200 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.15693E-01 ppm1 2.133 ppm2 8.005 CV 1
ASSI { 329}
(( segid " " and resid 23 and name HG ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.686 ppm2 8.001 CV 1
ASSI { 330}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.347 ppm2 8.005 CV 1
ASSI { 331}
( segid " " and resid 23 and name HD2%)
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.018 ppm2 8.005 CV 1
ASSI { 332}
( segid " " and resid 23 and name HD1%)
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.990 ppm2 8.005 CV 1
ASSI { 333}
( segid " " and resid 23 and name HD2%)
( segid " " and resid 23 and name HD1%)
6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.018 ppm2 0.990 CV 1
ASSI { 334}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 23 and name HD1%)
6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.350 ppm2 0.990 CV 1
ASSI { 335}
(( segid " " and resid 23 and name HG ))
( segid " " and resid 23 and name HD1%)
6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.688 ppm2 0.987 CV 1
ASSI { 336}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 23 and name HD1%)
6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.133 ppm2 0.988 CV 1
ASSI { 337}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 23 and name HD2%)
6.000 4.500 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.131 ppm2 1.011 CV 1
ASSI { 338}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
2.100 0.600 0.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.18207E-01 ppm1 2.130 ppm2 1.340 CV 1
ASSI { 339}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG ))
6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.130 ppm2 1.671 CV 1
ASSI { 340}
(( segid " " and resid 23 and name HG ))
( segid " " and resid 23 and name HD2%)
6.000 4.500 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.688 ppm2 1.012 CV 1
ASSI { 341}
(( segid " " and resid 23 and name HG ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.688 ppm2 1.341 CV 1
ASSI { 342}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 23 and name HD2%)
6.000 4.500 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.349 ppm2 1.012 CV 1
ASSI { 343}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
3.100 1.200 1.200 peak 343 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 4.178 ppm2 2.125 CV 1
ASSI { 344}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG ))
2.900 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.26549E-02 ppm1 4.178 ppm2 1.671 CV 1
ASSI { 345}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.500 0.800 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.74358E-02 ppm1 4.178 ppm2 1.341 CV 1
ASSI { 346}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HD2%)
6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 1.009 CV 1
ASSI { 347}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HD1%)
6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 0.982 CV 1
ASSI { 348}
(( segid " " and resid 21 and name HB ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.006 ppm2 7.996 CV 1
ASSI { 349}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.983 ppm2 7.996 CV 1
ASSI { 350}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 21 and name HN ))
2.300 0.600 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.13151E-01 ppm1 1.234 ppm2 7.993 CV 1
ASSI { 351}
(( segid " " and resid 21 and name HB ))
( segid " " and resid 21 and name HG2%)
6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.013 ppm2 1.220 CV 1
ASSI { 352}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HG2%)
6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.986 ppm2 1.220 CV 1
ASSI { 353}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.54274E-02 ppm1 4.060 ppm2 7.741 CV 1
ASSI { 354}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.24453E-02 ppm1 2.578 ppm2 7.741 CV 1
ASSI { 355}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.27604E-02 ppm1 2.476 ppm2 7.743 CV 1
ASSI { 356}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.218 ppm2 7.741 CV 1
ASSI { 357}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.167 ppm2 7.742 CV 1
ASSI { 368}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.600 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.60513E-02 ppm1 4.372 ppm2 7.472 CV 1
ASSI { 369}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.079 ppm2 7.474 CV 1
ASSI { 370}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.500 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.62893E-02 ppm1 2.889 ppm2 7.472 CV 1
ASSI { 371}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB3 ))
2.400 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.83210E-02 ppm1 4.375 ppm2 3.077 CV 1
ASSI { 372}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
2.700 0.900 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.41017E-02 ppm1 4.375 ppm2 2.882 CV 1
ASSI { 373}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HB2 ))
2.700 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.48531E-02 ppm1 3.082 ppm2 2.880 CV 1
ASSI { 374}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.600 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.61398E-02 ppm1 4.505 ppm2 7.348 CV 1
ASSI { 375}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.155 ppm2 7.352 CV 1
ASSI { 376}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.035 ppm2 7.350 CV 1
ASSI { 377}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.76057E-02 ppm1 4.508 ppm2 3.149 CV 1
ASSI { 378}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.508 ppm2 3.035 CV 1
ASSI { 379}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HB3 ))
6.000 4.500 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.038 ppm2 3.144 CV 1
ASSI { 380}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.552 ppm2 7.240 CV 1
ASSI { 381}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.300 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.12832E-02 ppm1 4.180 ppm2 7.242 CV 1
ASSI { 382}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.22237E-02 ppm1 3.845 ppm2 7.241 CV 1
ASSI { 384}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB3 ))
2.600 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.56632E-02 ppm1 4.553 ppm2 4.176 CV 1
ASSI { 385}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB2 ))
6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.555 ppm2 3.838 CV 1
ASSI { 386}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
2.000 0.500 0.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.25487E-01 ppm1 4.184 ppm2 3.838 CV 1
ASSI { 387}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.005 ppm2 7.366 CV 1
ASSI { 388}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.520 ppm2 7.369 CV 1
ASSI { 389}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.300 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.11600E-01 ppm1 1.987 ppm2 7.366 CV 1
ASSI { 390}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.014 ppm2 2.513 CV 1
ASSI { 391}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.007 ppm2 1.982 CV 1
ASSI { 392}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.518 ppm2 1.980 CV 1
ASSI { 393}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.40451E-02 ppm1 4.397 ppm2 7.159 CV 1
ASSI { 394}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 7.162 CV 1
OR { 394}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 395}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.613 ppm2 7.160 CV 1
OR { 395}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 396}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 29 and name HN ))
3.100 3.100 2.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 1.367 ppm2 7.160 CV 1
ASSI { 397}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.244 ppm2 7.158 CV 1
ASSI { 400}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HB2 ))
6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 1.605 CV 1
OR { 400}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HB2 ))
OR { 400}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HB3 ))
ASSI { 404}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HD2 ))
3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.22385E-02 ppm1 4.398 ppm2 1.868 CV 1
OR { 404}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HD3 ))
ASSI { 405}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.395 ppm2 1.606 CV 1
OR { 405}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 406}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG3 ))
3.800 1.800 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.57716E-03 ppm1 4.398 ppm2 1.359 CV 1
ASSI { 407}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG2 ))
2.900 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27477E-02 ppm1 4.400 ppm2 1.261 CV 1
ASSI { 408}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.472 ppm2 7.625 CV 1
ASSI { 409}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.386 ppm2 7.624 CV 1
ASSI { 410}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18030E-02 ppm1 1.323 ppm2 7.625 CV 1
ASSI { 411}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 7.627 CV 1
ASSI { 412}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 7 and name HN ))
3.500 1.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.94541E-03 ppm1 0.716 ppm2 7.625 CV 1
ASSI { 413}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 7 and name HN ))
3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 0.639 ppm2 7.625 CV 1
ASSI { 414}
(( segid " " and resid 7 and name HG ))
( segid " " and resid 7 and name HD1%)
2.900 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.26825E-02 ppm1 1.400 ppm2 0.636 CV 1
ASSI { 415}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 7 and name HD1%)
6.000 4.500 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.323 ppm2 0.635 CV 1
ASSI { 416}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 7 and name HD1%)
2.600 0.900 0.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.53658E-02 ppm1 1.231 ppm2 0.636 CV 1
ASSI { 417}
( segid " " and resid 7 and name HD2%)
( segid " " and resid 7 and name HD1%)
6.000 4.500 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.723 ppm2 0.627 CV 1
ASSI { 418}
(( segid " " and resid 7 and name HG ))
( segid " " and resid 7 and name HD2%)
2.700 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.42228E-02 ppm1 1.398 ppm2 0.708 CV 1
ASSI { 419}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.500 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.396 ppm2 1.232 CV 1
ASSI { 420}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 7 and name HB3 ))
6.000 4.500 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.396 ppm2 1.317 CV 1
ASSI { 421}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 7 and name HD2%)
6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.324 ppm2 0.709 CV 1
ASSI { 422}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 7 and name HD2%)
2.600 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.51725E-02 ppm1 1.232 ppm2 0.709 CV 1
ASSI { 423}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.323 ppm2 1.232 CV 1
ASSI { 424}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG ))
6.000 4.500 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.479 ppm2 1.377 CV 1
ASSI { 425}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
2.900 1.000 1.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.31053E-02 ppm1 4.474 ppm2 1.317 CV 1
ASSI { 426}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.700 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.41577E-02 ppm1 4.474 ppm2 1.232 CV 1
ASSI { 427}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HD2%)
2.200 2.200 3.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.13724E-01 ppm1 4.477 ppm2 0.712 CV 1
ASSI { 428}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HD1%)
3.400 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.11720E-02 ppm1 4.474 ppm2 0.636 CV 1
ASSI { 429}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.500 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.70173E-02 ppm1 4.087 ppm2 7.205 CV 1
ASSI { 430}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.894 ppm2 7.206 CV 1
OR { 430}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 431}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.694 ppm2 7.206 CV 1
ASSI { 433}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.507 ppm2 7.204 CV 1
OR { 433}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 434}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG3 ))
6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.893 ppm2 1.504 CV 1
OR { 434}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HG2 ))
OR { 434}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HG3 ))
ASSI { 438}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HD3 ))
6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.893 ppm2 1.688 CV 1
OR { 438}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HD2 ))
OR { 438}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HD3 ))
ASSI { 440}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
2.100 0.500 0.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.20232E-01 ppm1 4.092 ppm2 1.888 CV 1
OR { 440}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 441}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD3 ))
2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.69507E-02 ppm1 4.085 ppm2 1.691 CV 1
ASSI { 443}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG2 ))
2.600 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.51760E-02 ppm1 4.087 ppm2 1.502 CV 1
OR { 443}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG3 ))
ASSI { 454}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.932 ppm2 7.162 CV 1
OR { 454}
(( segid " " and resid 29 and name HE2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 455}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG3 ))
6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 1.364 CV 1
OR { 455}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG3 ))
ASSI { 456}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG2 ))
6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.874 ppm2 1.273 CV 1
OR { 456}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 457}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG3 ))
6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.615 ppm2 1.360 CV 1
OR { 457}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HG3 ))
ASSI { 458}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HG2 ))
6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.611 ppm2 1.270 CV 1
OR { 458}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 459}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 29 and name HG2 ))
6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.369 ppm2 1.273 CV 1
ASSI { 460}
(( segid " " and resid 29 and name HE2 ))
(( segid " " and resid 29 and name HD3 ))
6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.935 ppm2 1.872 CV 1
OR { 460}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HD2 ))
OR { 460}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HD3 ))
ASSI { 461}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HB2 ))
6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.935 ppm2 1.604 CV 1
OR { 461}
(( segid " " and resid 29 and name HE2 ))
(( segid " " and resid 29 and name HB2 ))
OR { 461}
(( segid " " and resid 29 and name HE2 ))
(( segid " " and resid 29 and name HB3 ))
OR { 461}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HB3 ))
ASSI { 462}
(( segid " " and resid 29 and name HE2 ))
(( segid " " and resid 29 and name HG3 ))
6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.935 ppm2 1.361 CV 1
OR { 462}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HG3 ))
ASSI { 463}
(( segid " " and resid 29 and name HE3 ))
(( segid " " and resid 29 and name HG2 ))
6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.935 ppm2 1.274 CV 1
OR { 463}
(( segid " " and resid 29 and name HE2 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 464}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HE3 ))
6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.399 ppm2 2.926 CV 1
OR { 464}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HE2 ))
ASSI { 465}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HE1 ))
3.400 1.500 1.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 7.163 ppm2 7.992 CV 1
ASSI { 467}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HE1 ))
2.300 0.600 0.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.12825E-01 ppm1 7.063 ppm2 10.014 CV 1
ASSI { 470}
(( segid " " and resid 32 and name HZ2 ))
(( segid " " and resid 32 and name HE3 ))
6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.490 ppm2 7.600 CV 1
ASSI { 471}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 32 and name HE3 ))
6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.239 ppm2 7.603 CV 1
ASSI { 472}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 32 and name HE3 ))
2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.96169E-02 ppm1 7.155 ppm2 7.605 CV 1
ASSI { 473}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 32 and name HZ2 ))
6.000 4.500 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.150 ppm2 7.481 CV 1
ASSI { 474}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 32 and name HZ2 ))
6.000 4.500 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.224 ppm2 7.489 CV 1
ASSI { 475}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 32 and name HH2 ))
6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.153 ppm2 7.215 CV 1
ASSI { 478}
( segid " " and resid 16 and name HE% )
( segid " " and resid 16 and name HD% )
2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.14992E-01 ppm1 6.740 ppm2 6.973 CV 1
ASSI { 479}
( segid " " and resid 8 and name HE% )
( segid " " and resid 8 and name HD% )
2.000 0.500 0.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.25763E-01 ppm1 6.790 ppm2 6.950 CV 1
ASSI { 480}
( segid " " and resid 12 and name HD% )
( segid " " and resid 12 and name HE% )
6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.075 ppm2 7.210 CV 1
ASSI { 482}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.300 ppm2 8.544 CV 1
ASSI { 483}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 8.293 CV 1
ASSI { 484}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.850 ppm2 8.293 CV 1
ASSI { 485}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.756 ppm2 8.293 CV 1
ASSI { 486}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.641 ppm2 8.293 CV 1
OR { 486}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 4 and name HN ))
ASSI { 487}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HD2 ))
2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.66922E-02 ppm1 4.596 ppm2 3.623 CV 1
ASSI { 488}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HD3 ))
2.400 0.700 0.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.96311E-02 ppm1 4.596 ppm2 3.819 CV 1
ASSI { 489}
(( segid " " and resid 5 and name HD2 ))
( segid " " and resid 4 and name HD2%)
3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.19581E-02 ppm1 3.630 ppm2 0.897 CV 1
OR { 489}
(( segid " " and resid 5 and name HD2 ))
( segid " " and resid 4 and name HD1%)
ASSI { 491}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 4 and name HB2 ))
6.000 4.500 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.829 ppm2 1.548 CV 1
ASSI { 492}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.829 ppm2 1.537 CV 1
ASSI { 493}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.628 ppm2 1.537 CV 1
ASSI { 494}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HB2 ))
6.000 4.500 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.628 ppm2 1.548 CV 1
ASSI { 495}
(( segid " " and resid 5 and name HD3 ))
( segid " " and resid 4 and name HD2%)
6.000 4.500 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 0.902 CV 1
OR { 495}
(( segid " " and resid 5 and name HD3 ))
( segid " " and resid 4 and name HD1%)
ASSI { 496}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.383 ppm2 8.261 CV 1
ASSI { 497}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.825 ppm2 8.261 CV 1
ASSI { 498}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.633 ppm2 8.259 CV 1
ASSI { 499}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 6 and name HN ))
2.700 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.40649E-02 ppm1 2.260 ppm2 8.261 CV 1
ASSI { 500}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 6 and name HN ))
3.800 1.800 1.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.60619E-03 ppm1 1.989 ppm2 8.259 CV 1
ASSI { 501}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20346E-02 ppm1 1.804 ppm2 8.263 CV 1
ASSI { 502}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
1.900 0.500 0.500 peak 502 spectrum 1 weight 0.10000E+01 volume 0.32540E-01 ppm1 4.110 ppm2 7.625 CV 1
ASSI { 505}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.182 ppm2 7.625 CV 1
ASSI { 506}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
2.700 2.700 3.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.46095E-02 ppm1 7.631 ppm2 8.261 CV 1
ASSI { 507}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 8 and name HN ))
3.600 1.600 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.79315E-03 ppm1 0.635 ppm2 8.558 CV 1
ASSI { 508}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 8 and name HN ))
3.000 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23398E-02 ppm1 0.711 ppm2 8.557 CV 1
ASSI { 509}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.47115E-02 ppm1 1.228 ppm2 8.557 CV 1
ASSI { 510}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.400 3.400 2.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.10516E-02 ppm1 1.324 ppm2 8.558 CV 1
ASSI { 511}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 8 and name HN ))
3.600 1.600 1.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.81652E-03 ppm1 1.392 ppm2 8.558 CV 1
ASSI { 512}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.300 0.700 0.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12032E-01 ppm1 4.477 ppm2 8.563 CV 1
ASSI { 513}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
2.800 2.800 3.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.32123E-02 ppm1 7.634 ppm2 8.560 CV 1
ASSI { 514}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HD% )
2.300 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.11359E-01 ppm1 2.715 ppm2 6.947 CV 1
ASSI { 515}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HE% )
2.900 2.900 3.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.27519E-02 ppm1 2.715 ppm2 6.782 CV 1
ASSI { 516}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HE% )
3.000 3.000 3.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.21805E-02 ppm1 2.827 ppm2 6.782 CV 1
ASSI { 517}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HD% )
6.000 4.500 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.829 ppm2 6.953 CV 1
ASSI { 518}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD% )
6.000 4.500 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.550 ppm2 6.952 CV 1
ASSI { 519}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HE% )
2.200 2.200 3.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.14369E-01 ppm1 4.552 ppm2 6.783 CV 1
ASSI { 520}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.787 ppm2 8.563 CV 1
ASSI { 521}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 9 and name HN ))
2.800 2.800 3.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.39318E-02 ppm1 6.964 ppm2 8.313 CV 1
ASSI { 522}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.89725E-02 ppm1 6.964 ppm2 8.561 CV 1
ASSI { 523}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.400 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.88521E-02 ppm1 4.549 ppm2 8.314 CV 1
ASSI { 524}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.900 2.900 3.100 peak 524 spectrum 1 weight 0.10000E+01 volume 0.28022E-02 ppm1 2.827 ppm2 8.314 CV 1
ASSI { 525}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.400 1.400 1.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.11890E-02 ppm1 2.712 ppm2 8.314 CV 1
ASSI { 526}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.000 0.500 0.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.29361E-01 ppm1 4.029 ppm2 8.511 CV 1
ASSI { 527}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.559 ppm2 8.512 CV 1
ASSI { 529}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16840E-02 ppm1 1.097 ppm2 8.508 CV 1
ASSI { 530}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.35394E-02 ppm1 0.884 ppm2 8.508 CV 1
ASSI { 531}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.94753E-03 ppm1 0.624 ppm2 8.508 CV 1
ASSI { 532}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.434 ppm2 8.406 CV 1
ASSI { 533}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.314 ppm2 8.404 CV 1
ASSI { 534}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.800 1.000 1.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 4.546 ppm2 8.404 CV 1
ASSI { 535}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.900 1.900 1.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.52405E-03 ppm1 8.321 ppm2 8.510 CV 1
ASSI { 536}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG2 ))
2.500 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.73083E-02 ppm1 3.909 ppm2 1.841 CV 1
ASSI { 537}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
3.100 1.200 1.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.18568E-02 ppm1 3.909 ppm2 1.772 CV 1
ASSI { 538}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.700 0.900 0.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.46760E-02 ppm1 3.909 ppm2 1.676 CV 1
ASSI { 539}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HG2 ))
6.000 4.500 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.915 ppm2 1.840 CV 1
ASSI { 540}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HB3 ))
6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.915 ppm2 1.770 CV 1
ASSI { 541}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HB2 ))
6.000 4.500 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.915 ppm2 1.674 CV 1
ASSI { 542}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HB3 ))
6.000 4.500 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 1.770 CV 1
ASSI { 543}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HB2 ))
6.000 4.500 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 1.674 CV 1
ASSI { 544}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.22732E-02 ppm1 8.414 ppm2 8.511 CV 1
ASSI { 545}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.31464E-02 ppm1 3.906 ppm2 9.023 CV 1
ASSI { 546}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.913 ppm2 9.023 CV 1
ASSI { 547}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 9.023 CV 1
ASSI { 548}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.779 ppm2 9.023 CV 1
ASSI { 549}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
3.500 1.500 1.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.91141E-03 ppm1 1.684 ppm2 9.024 CV 1
ASSI { 550}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.83706E-02 ppm1 8.410 ppm2 9.023 CV 1
ASSI { 551}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HE% )
6.000 4.500 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.546 ppm2 7.210 CV 1
ASSI { 552}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HD% )
2.600 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.59153E-02 ppm1 4.546 ppm2 7.068 CV 1
ASSI { 553}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HD% )
6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.045 ppm2 7.067 CV 1
ASSI { 554}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HE% )
6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.045 ppm2 7.210 CV 1
ASSI { 555}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HE% )
4.400 2.400 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.24219E-03 ppm1 3.480 ppm2 7.210 CV 1
ASSI { 556}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HD% )
2.200 0.600 0.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.14036E-01 ppm1 3.488 ppm2 7.069 CV 1
ASSI { 557}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.65938E-02 ppm1 3.043 ppm2 8.194 CV 1
ASSI { 558}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.400 2.400 3.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.80448E-02 ppm1 3.489 ppm2 8.195 CV 1
ASSI { 559}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.39750E-02 ppm1 4.547 ppm2 8.196 CV 1
ASSI { 560}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.200 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.13696E-01 ppm1 8.201 ppm2 9.025 CV 1
ASSI { 561}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.73933E-02 ppm1 8.064 ppm2 8.196 CV 1
ASSI { 562}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.20969E-02 ppm1 4.872 ppm2 8.066 CV 1
ASSI { 563}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.212 ppm2 8.061 CV 1
ASSI { 564}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 2.671 ppm2 8.061 CV 1
ASSI { 565}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HD% )
6.000 4.500 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.848 ppm2 6.969 CV 1
ASSI { 566}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HE% )
6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.845 ppm2 6.736 CV 1
ASSI { 567}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 16 and name HD% )
6.000 4.500 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.853 ppm2 6.967 CV 1
ASSI { 569}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 16 and name HE% )
6.000 4.500 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.798 ppm2 6.736 CV 1
ASSI { 570}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 16 and name HE% )
6.000 4.500 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.856 ppm2 6.734 CV 1
ASSI { 571}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 16 and name HD% )
6.000 4.500 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.795 ppm2 6.965 CV 1
ASSI { 572}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 16 and name HN ))
3.800 1.800 1.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.60194E-03 ppm1 6.738 ppm2 8.420 CV 1
ASSI { 573}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.97515E-02 ppm1 6.980 ppm2 8.420 CV 1
ASSI { 574}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 574 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 2.795 ppm2 9.203 CV 1
ASSI { 575}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.25154E-02 ppm1 2.850 ppm2 9.203 CV 1
ASSI { 576}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.72162E-02 ppm1 4.845 ppm2 9.199 CV 1
ASSI { 577}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.35118E-02 ppm1 6.975 ppm2 9.203 CV 1
ASSI { 578}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.54671E-03 ppm1 8.422 ppm2 9.201 CV 1
ASSI { 579}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.000 0.500 0.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.26429E-01 ppm1 5.106 ppm2 8.626 CV 1
ASSI { 580}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 18 and name HN ))
3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.77261E-03 ppm1 2.596 ppm2 8.626 CV 1
ASSI { 581}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.192 ppm2 8.626 CV 1
ASSI { 582}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 582 spectrum 1 weight 0.10000E+01 volume 0.19071E-02 ppm1 2.038 ppm2 8.626 CV 1
ASSI { 583}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.905 ppm2 8.626 CV 1
ASSI { 584}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.43411E-03 ppm1 8.633 ppm2 9.204 CV 1
ASSI { 585}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HG2 ))
6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.707 ppm2 1.494 CV 1
OR { 585}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HG2 ))
ASSI { 586}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HG2 ))
6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.861 ppm2 1.494 CV 1
ASSI { 587}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HG2 ))
6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 1.494 CV 1
ASSI { 588}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HG3 ))
6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 1.557 CV 1
ASSI { 589}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HD3 ))
6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 1.701 CV 1
OR { 589}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HD2 ))
ASSI { 590}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 1.854 CV 1
ASSI { 591}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HG3 ))
6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.861 ppm2 1.556 CV 1
ASSI { 592}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HD3 ))
6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.861 ppm2 1.701 CV 1
OR { 592}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HD2 ))
ASSI { 593}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HG3 ))
6.000 4.500 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.707 ppm2 1.557 CV 1
OR { 593}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 595}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.33496E-02 ppm1 4.298 ppm2 7.242 CV 1
ASSI { 596}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.948 ppm2 7.243 CV 1
ASSI { 597}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.860 ppm2 7.243 CV 1
ASSI { 598}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.699 ppm2 7.242 CV 1
OR { 598}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 599}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 7.242 CV 1
ASSI { 600}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.499 ppm2 7.243 CV 1
ASSI { 601}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.63742E-02 ppm1 7.247 ppm2 8.625 CV 1
ASSI { 602}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.556 ppm2 8.519 CV 1
ASSI { 603}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.300 2.300 3.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.12960E-01 ppm1 4.180 ppm2 8.518 CV 1
ASSI { 604}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.65484E-02 ppm1 3.844 ppm2 8.519 CV 1
ASSI { 605}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.50563E-03 ppm1 7.248 ppm2 8.519 CV 1
ASSI { 606}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.357 ppm2 8.000 CV 1
ASSI { 607}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.403 ppm2 7.993 CV 1
OR { 607}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 608}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.544 ppm2 8.003 CV 1
ASSI { 609}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.657 ppm2 7.993 CV 1
ASSI { 610}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HN ))
2.400 2.400 3.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.86184E-02 ppm1 8.005 ppm2 8.516 CV 1
ASSI { 611}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.147 ppm2 7.996 CV 1
OR { 611}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 612}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.574 ppm2 8.005 CV 1
ASSI { 613}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HN ))
3.200 3.200 2.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.17209E-02 ppm1 4.176 ppm2 7.570 CV 1
ASSI { 615}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.349 ppm2 7.572 CV 1
ASSI { 617}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.797 ppm2 8.005 CV 1
ASSI { 619}
(( segid " " and resid 22 and name HG13))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 7.995 CV 1
ASSI { 620}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.35352E-02 ppm1 1.069 ppm2 8.005 CV 1
ASSI { 621}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 23 and name HN ))
3.600 1.600 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.83776E-03 ppm1 0.900 ppm2 8.004 CV 1
ASSI { 623}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.226 ppm2 8.381 CV 1
ASSI { 624}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.985 ppm2 8.379 CV 1
ASSI { 625}
(( segid " " and resid 21 and name HB ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.027 ppm2 8.379 CV 1
ASSI { 626}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.94682E-02 ppm1 8.011 ppm2 8.377 CV 1
ASSI { 627}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.143 ppm2 7.742 CV 1
ASSI { 628}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.257 ppm2 7.743 CV 1
ASSI { 629}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.377 ppm2 7.743 CV 1
ASSI { 630}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.539 ppm2 7.744 CV 1
ASSI { 631}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.013 ppm2 7.742 CV 1
ASSI { 632}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.300 0.700 0.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.11019E-01 ppm1 7.742 ppm2 8.378 CV 1
ASSI { 633}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG3 ))
6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.059 ppm2 2.572 CV 1
ASSI { 634}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG2 ))
6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.059 ppm2 2.469 CV 1
ASSI { 635}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
6.000 4.500 0.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.059 ppm2 2.215 CV 1
ASSI { 636}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
6.000 4.500 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.059 ppm2 2.156 CV 1
ASSI { 637}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HB3 ))
6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.580 ppm2 2.214 CV 1
ASSI { 638}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HB2 ))
6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.580 ppm2 2.158 CV 1
ASSI { 639}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB2 ))
6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.476 ppm2 2.157 CV 1
ASSI { 640}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HB2 ))
6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.222 ppm2 2.157 CV 1
ASSI { 641}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB3 ))
6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.476 ppm2 2.214 CV 1
ASSI { 642}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HG2 ))
6.000 4.500 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.578 ppm2 2.469 CV 1
ASSI { 643}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.063 ppm2 8.857 CV 1
ASSI { 644}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 26 and name HN ))
3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 2.582 ppm2 8.857 CV 1
ASSI { 645}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HN ))
3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.54954E-03 ppm1 2.476 ppm2 8.857 CV 1
ASSI { 646}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.222 ppm2 8.857 CV 1
ASSI { 647}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 8.856 CV 1
ASSI { 648}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.300 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.12570E-01 ppm1 7.747 ppm2 8.857 CV 1
ASSI { 649}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.376 ppm2 7.165 CV 1
ASSI { 650}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
2.500 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.71242E-02 ppm1 3.715 ppm2 7.166 CV 1
ASSI { 651}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD2 ))
6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 7.167 CV 1
ASSI { 652}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HE1 ))
6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 7.994 CV 1
ASSI { 653}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HE1 ))
6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.717 ppm2 7.994 CV 1
ASSI { 654}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HE1 ))
6.000 4.500 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.375 ppm2 7.994 CV 1
ASSI { 655}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.270 ppm2 8.843 CV 1
ASSI { 656}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.711 ppm2 8.843 CV 1
ASSI { 657}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.378 ppm2 8.843 CV 1
ASSI { 658}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.49239E-02 ppm1 2.409 ppm2 8.843 CV 1
ASSI { 659}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.035 ppm2 2.399 CV 1
ASSI { 660}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HB2 ))
2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.67935E-02 ppm1 3.087 ppm2 2.249 CV 1
ASSI { 661}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HB3 ))
2.900 1.000 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.29594E-02 ppm1 3.087 ppm2 2.400 CV 1
ASSI { 662}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HB3 ))
3.100 1.200 1.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 3.206 ppm2 2.399 CV 1
ASSI { 663}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.406 ppm2 2.248 CV 1
ASSI { 665}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.213 ppm2 8.842 CV 1
ASSI { 666}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.600 0.800 0.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.62149E-02 ppm1 2.238 ppm2 7.208 CV 1
ASSI { 667}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.900 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.31946E-02 ppm1 2.410 ppm2 7.204 CV 1
ASSI { 668}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.087 ppm2 7.204 CV 1
ASSI { 669}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.206 ppm2 7.205 CV 1
ASSI { 670}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.300 1.400 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 4.037 ppm2 7.206 CV 1
ASSI { 671}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.175 ppm2 8.842 CV 1
ASSI { 672}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HB3 ))
6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.959 ppm2 1.889 CV 1
OR { 672}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HB2 ))
OR { 672}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 675}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HD3 ))
6.000 4.500 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.959 ppm2 1.690 CV 1
OR { 675}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HD2 ))
OR { 675}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HD3 ))
ASSI { 676}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HG2 ))
6.000 4.500 0.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.959 ppm2 1.503 CV 1
OR { 676}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HG2 ))
OR { 676}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HG3 ))
ASSI { 677}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HG3 ))
6.000 4.500 0.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.693 ppm2 1.504 CV 1
OR { 677}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HG2 ))
OR { 677}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HG3 ))
ASSI { 678}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.966 ppm2 7.208 CV 1
OR { 678}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HN ))
ASSI { 679}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HE3 ))
3.400 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 4.079 ppm2 2.960 CV 1
OR { 679}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HE2 ))
ASSI { 680}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.511 ppm2 7.162 CV 1
OR { 680}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 681}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.693 ppm2 7.160 CV 1
OR { 681}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 682}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.896 ppm2 7.162 CV 1
OR { 682}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 683}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.966 ppm2 7.160 CV 1
OR { 683}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 684}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.088 ppm2 7.162 CV 1
ASSI { 685}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.55110E-02 ppm1 4.399 ppm2 7.366 CV 1
ASSI { 686}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
2.400 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.89442E-02 ppm1 7.168 ppm2 7.365 CV 1
ASSI { 687}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.371 ppm2 7.369 CV 1
ASSI { 689}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 689 spectrum 1 weight 0.10000E+01 volume 0.27406E-02 ppm1 1.874 ppm2 7.366 CV 1
OR { 689}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 690}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.300 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13873E-02 ppm1 1.984 ppm2 7.930 CV 1
ASSI { 692}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.300 2.300 3.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.11387E-01 ppm1 4.008 ppm2 7.931 CV 1
ASSI { 693}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.371 ppm2 7.930 CV 1
ASSI { 694}
(( segid " " and resid 31 and name HA2 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 694 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 3.121 ppm2 7.352 CV 1
ASSI { 695}
(( segid " " and resid 31 and name HA1 ))
(( segid " " and resid 32 and name HN ))
3.400 1.400 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 2.972 ppm2 7.351 CV 1
ASSI { 696}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.355 ppm2 7.933 CV 1
ASSI { 697}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HE3 ))
6.000 4.500 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.501 ppm2 7.599 CV 1
ASSI { 698}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HZ2 ))
6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.504 ppm2 7.489 CV 1
ASSI { 702}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HE3 ))
2.600 2.600 3.400 peak 702 spectrum 1 weight 0.10000E+01 volume 0.59621E-02 ppm1 3.167 ppm2 7.600 CV 1
ASSI { 703}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HE1 ))
6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.040 ppm2 10.016 CV 1
ASSI { 704}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HE1 ))
6.000 4.500 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.164 ppm2 10.015 CV 1
ASSI { 705}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HD1 ))
6.000 4.500 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.501 ppm2 7.054 CV 1
ASSI { 706}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HD1 ))
6.000 4.500 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.043 ppm2 7.054 CV 1
ASSI { 707}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HD1 ))
6.000 4.500 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.164 ppm2 7.053 CV 1
ASSI { 708}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.029 ppm2 7.472 CV 1
ASSI { 709}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.153 ppm2 7.472 CV 1
ASSI { 710}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.503 ppm2 7.472 CV 1
ASSI { 711}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.25098E-02 ppm1 7.355 ppm2 7.472 CV 1
ASSI { 712}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 33 and name HD% )
2.500 0.800 0.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.68770E-02 ppm1 2.889 ppm2 7.120 CV 1
ASSI { 713}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 33 and name HD% )
6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.079 ppm2 7.120 CV 1
ASSI { 714}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HD% )
6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.372 ppm2 7.121 CV 1
ASSI { 715}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 33 and name HE% )
6.000 4.500 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.079 ppm2 7.256 CV 1
ASSI { 716}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 33 and name HE% )
6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.889 ppm2 7.255 CV 1
ASSI { 717}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HE% )
6.000 4.500 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.372 ppm2 7.255 CV 1
ASSI { 718}
( segid " " and resid 33 and name HD% )
( segid " " and resid 33 and name HE% )
6.000 4.500 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.130 ppm2 7.255 CV 1
ASSI { 719}
(( segid " " and resid 25 and name HE22))
(( segid " " and resid 25 and name HE21))
1.800 0.400 0.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.45387E-01 ppm1 6.857 ppm2 7.425 CV 1
ASSI { 720}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HE21))
6.000 4.500 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.476 ppm2 7.421 CV 1
ASSI { 721}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HE21))
6.000 4.500 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.578 ppm2 7.424 CV 1
ASSI { 722}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HE22))
6.000 4.500 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.578 ppm2 6.852 CV 1
ASSI { 723}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HE22))
6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.476 ppm2 6.851 CV 1
ASSI { 724}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HE22))
6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.167 ppm2 6.849 CV 1
ASSI { 725}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HE22))
6.000 4.500 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.218 ppm2 6.849 CV 1
ASSI { 726}
(( segid " " and resid 24 and name HE22))
(( segid " " and resid 24 and name HE21))
1.800 0.400 0.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.54302E-01 ppm1 6.855 ppm2 7.378 CV 1
ASSI { 727}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HE21))
6.000 4.500 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.012 ppm2 7.364 CV 1
ASSI { 728}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HE22))
6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.013 ppm2 6.849 CV 1
ASSI { 729}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HE21))
6.000 4.500 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.548 ppm2 7.376 CV 1
ASSI { 730}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HE22))
6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.546 ppm2 6.848 CV 1
ASSI { 731}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HE21))
2.800 1.000 1.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.32115E-02 ppm1 2.374 ppm2 7.377 CV 1
ASSI { 732}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HE22))
3.300 1.400 1.400 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13519E-02 ppm1 2.369 ppm2 6.847 CV 1
ASSI { 733}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HE21))
6.000 4.500 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.255 ppm2 7.377 CV 1
ASSI { 734}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HE22))
6.000 4.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.260 ppm2 6.847 CV 1
ASSI { 736}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HE22))
6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.150 ppm2 6.847 CV 1
ASSI { 737}
(( segid " " and resid 32 and name HZ2 ))
(( segid " " and resid 32 and name HE1 ))
2.700 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.42101E-02 ppm1 7.486 ppm2 10.013 CV 1
ASSI { 738}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 32 and name HE1 ))
4.200 2.200 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.33355E-03 ppm1 7.216 ppm2 10.014 CV 1
ASSI { 739}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HE1 ))
4.000 2.000 2.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.40082E-03 ppm1 4.398 ppm2 10.016 CV 1
ASSI { 744}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 17 and name HN ))
3.900 1.900 1.900 peak 744 spectrum 1 weight 0.10000E+01 volume 0.46102E-03 ppm1 1.068 ppm2 9.201 CV 1
ASSI { 745}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.19864E-02 ppm1 1.236 ppm2 9.201 CV 1
ASSI { 747}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.20728E-02 ppm1 2.726 ppm2 9.201 CV 1
ASSI { 748}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.27881E-02 ppm1 4.027 ppm2 9.201 CV 1
ASSI { 750}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.33164E-02 ppm1 8.553 ppm2 9.201 CV 1
ASSI { 751}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.32505E-02 ppm1 8.061 ppm2 9.024 CV 1
ASSI { 752}
( segid " " and resid 12 and name HD% )
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 7.073 ppm2 9.024 CV 1
ASSI { 753}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 12 and name HN ))
4.100 2.100 1.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.36542E-03 ppm1 7.198 ppm2 9.024 CV 1
ASSI { 754}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 12 and name HN ))
3.900 1.900 1.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.46385E-03 ppm1 3.301 ppm2 9.024 CV 1
ASSI { 755}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 26 and name HN ))
2.800 2.800 3.200 peak 755 spectrum 1 weight 0.10000E+01 volume 0.39473E-02 ppm1 8.382 ppm2 8.851 CV 1
ASSI { 756}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HN ))
2.800 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.39183E-02 ppm1 4.174 ppm2 8.855 CV 1
ASSI { 757}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 26 and name HN ))
3.300 1.400 1.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.12188E-02 ppm1 1.071 ppm2 8.856 CV 1
ASSI { 758}
( segid " " and resid 23 and name HD1%)
(( segid " " and resid 27 and name HN ))
2.900 2.900 3.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.29226E-02 ppm1 0.987 ppm2 8.844 CV 1
ASSI { 760}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 27 and name HN ))
3.000 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.22102E-02 ppm1 1.685 ppm2 8.847 CV 1
OR { 760}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HN ))
ASSI { 761}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.300 3.300 2.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.12790E-02 ppm1 1.889 ppm2 8.844 CV 1
OR { 761}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 27 and name HN ))
ASSI { 762}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 10 and name HN ))
3.400 1.500 1.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10254E-02 ppm1 7.624 ppm2 8.507 CV 1
ASSI { 763}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 20 and name HN ))
3.000 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.24623E-02 ppm1 6.781 ppm2 8.516 CV 1
ASSI { 764}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 20 and name HN ))
3.000 3.000 3.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.22775E-02 ppm1 6.961 ppm2 8.514 CV 1
ASSI { 766}
( segid " " and resid 23 and name HD1%)
(( segid " " and resid 10 and name HN ))
2.800 2.800 3.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.34991E-02 ppm1 0.984 ppm2 8.509 CV 1
ASSI { 767}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 18 and name HN ))
3.800 1.800 1.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.57999E-03 ppm1 0.709 ppm2 8.622 CV 1
ASSI { 768}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 768 spectrum 1 weight 0.10000E+01 volume 0.28065E-02 ppm1 0.909 ppm2 8.622 CV 1
ASSI { 769}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.42710E-02 ppm1 1.071 ppm2 8.621 CV 1
ASSI { 775}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.300 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.14546E-02 ppm1 7.627 ppm2 8.418 CV 1
ASSI { 776}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
3.800 1.800 1.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.58353E-03 ppm1 7.576 ppm2 8.374 CV 1
ASSI { 777}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 9 and name HN ))
3.500 1.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.92558E-03 ppm1 6.742 ppm2 8.310 CV 1
ASSI { 778}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 778 spectrum 1 weight 0.10000E+01 volume 0.18674E-02 ppm1 4.180 ppm2 8.377 CV 1
ASSI { 779}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.22576E-02 ppm1 3.970 ppm2 8.193 CV 1
ASSI { 780}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.000 0.500 0.500 peak 780 spectrum 1 weight 0.10000E+01 volume 0.24333E-01 ppm1 4.467 ppm2 8.419 CV 1
ASSI { 781}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 4 and name HN ))
3.900 1.900 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.47731E-03 ppm1 3.823 ppm2 8.286 CV 1
ASSI { 782}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HN ))
4.000 2.000 2.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.41357E-03 ppm1 3.625 ppm2 8.285 CV 1
ASSI { 783}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 16 and name HN ))
3.500 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.87742E-03 ppm1 0.626 ppm2 8.417 CV 1
ASSI { 784}
( segid " " and resid 23 and name HD1%)
(( segid " " and resid 24 and name HN ))
2.600 2.600 3.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.50521E-02 ppm1 0.993 ppm2 8.382 CV 1
ASSI { 785}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 24 and name HN ))
3.400 1.400 1.400 peak 785 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 1.077 ppm2 8.382 CV 1
ASSI { 786}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.300 3.300 2.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.12181E-02 ppm1 1.242 ppm2 8.416 CV 1
ASSI { 787}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.39941E-03 ppm1 1.377 ppm2 8.416 CV 1
ASSI { 788}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.300 1.300 1.300 peak 788 spectrum 1 weight 0.10000E+01 volume 0.14263E-02 ppm1 1.344 ppm2 8.379 CV 1
ASSI { 791}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 11 and name HN ))
3.500 1.500 1.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.97303E-03 ppm1 0.870 ppm2 8.400 CV 1
ASSI { 792}
( segid " " and resid 23 and name HD2%)
(( segid " " and resid 9 and name HN ))
3.000 3.000 3.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.22463E-02 ppm1 1.014 ppm2 8.311 CV 1
ASSI { 794}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.16345E-02 ppm1 1.565 ppm2 8.418 CV 1
ASSI { 795}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 16 and name HN ))
2.700 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.48765E-02 ppm1 1.636 ppm2 8.417 CV 1
OR { 795}
(( segid " " and resid 15 and name HD3 ))
(( segid " " and resid 16 and name HN ))
ASSI { 796}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HN ))
3.300 1.400 1.400 peak 796 spectrum 1 weight 0.10000E+01 volume 0.12910E-02 ppm1 7.623 ppm2 8.197 CV 1
ASSI { 797}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.91566E-02 ppm1 7.624 ppm2 8.059 CV 1
ASSI { 799}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.20693E-02 ppm1 7.248 ppm2 8.006 CV 1
ASSI { 800}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 31 and name HN ))
3.500 1.600 1.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.86538E-03 ppm1 7.162 ppm2 7.929 CV 1
ASSI { 801}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 31 and name HN ))
4.200 2.200 1.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.31372E-03 ppm1 7.070 ppm2 7.929 CV 1
ASSI { 802}
( segid " " and resid 12 and name HD% )
(( segid " " and resid 13 and name HN ))
3.500 1.500 1.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.98931E-03 ppm1 7.076 ppm2 8.195 CV 1
ASSI { 803}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HE3 ))
2.900 2.900 3.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.30727E-02 ppm1 7.357 ppm2 7.598 CV 1
ASSI { 804}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 7 and name HN ))
3.300 3.300 2.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.12790E-02 ppm1 6.963 ppm2 7.625 CV 1
ASSI { 807}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 4.551 ppm2 7.996 CV 1
ASSI { 808}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.80377E-03 ppm1 4.545 ppm2 8.062 CV 1
ASSI { 812}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HN ))
2.900 1.000 1.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.29948E-02 ppm1 3.790 ppm2 7.742 CV 1
ASSI { 813}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 813 spectrum 1 weight 0.10000E+01 volume 0.18214E-02 ppm1 3.969 ppm2 7.621 CV 1
ASSI { 814}
(( segid " " and resid 21 and name HB ))
(( segid " " and resid 22 and name HN ))
2.800 2.800 3.200 peak 814 spectrum 1 weight 0.10000E+01 volume 0.37172E-02 ppm1 4.006 ppm2 7.570 CV 1
ASSI { 815}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 815 spectrum 1 weight 0.10000E+01 volume 0.24942E-02 ppm1 3.304 ppm2 8.195 CV 1
ASSI { 816}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 816 spectrum 1 weight 0.10000E+01 volume 0.28929E-02 ppm1 3.301 ppm2 8.061 CV 1
ASSI { 817}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.900 1.900 1.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.51980E-03 ppm1 3.040 ppm2 8.059 CV 1
ASSI { 820}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.600 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.56066E-02 ppm1 3.304 ppm2 7.620 CV 1
ASSI { 821}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.21748E-02 ppm1 2.435 ppm2 7.616 CV 1
ASSI { 824}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 824 spectrum 1 weight 0.10000E+01 volume 0.15898E-02 ppm1 1.896 ppm2 8.006 CV 1
ASSI { 825}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.400 3.400 2.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 2.254 ppm2 8.003 CV 1
ASSI { 826}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.500 1.500 1.500 peak 826 spectrum 1 weight 0.10000E+01 volume 0.99215E-03 ppm1 2.435 ppm2 8.195 CV 1
ASSI { 827}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 2.432 ppm2 8.063 CV 1
ASSI { 828}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 26 and name HE1 ))
3.300 3.300 2.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 2.516 ppm2 7.991 CV 1
ASSI { 830}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 25 and name HN ))
4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.33426E-03 ppm1 3.379 ppm2 7.743 CV 1
ASSI { 831}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.600 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.74216E-03 ppm1 1.688 ppm2 7.621 CV 1
ASSI { 832}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 25 and name HN ))
4.000 2.000 2.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.41640E-03 ppm1 1.227 ppm2 7.740 CV 1
ASSI { 834}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 22 and name HN ))
3.200 1.300 1.300 peak 834 spectrum 1 weight 0.10000E+01 volume 0.16019E-02 ppm1 1.218 ppm2 7.569 CV 1
ASSI { 836}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 13 and name HN ))
3.500 1.600 1.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.88946E-03 ppm1 0.769 ppm2 8.197 CV 1
ASSI { 837}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 14 and name HN ))
3.900 1.900 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.45394E-03 ppm1 0.631 ppm2 8.059 CV 1
ASSI { 843}
( segid " " and resid 9 and name HD1%)
( segid " " and resid 16 and name HE% )
2.400 0.700 0.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.82431E-02 ppm1 -0.128 ppm2 6.734 CV 1
ASSI { 844}
( segid " " and resid 9 and name HD2%)
( segid " " and resid 16 and name HD% )
2.600 2.600 3.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.56250E-02 ppm1 0.637 ppm2 6.969 CV 1
ASSI { 845}
( segid " " and resid 9 and name HD2%)
( segid " " and resid 16 and name HE% )
2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.70300E-02 ppm1 0.631 ppm2 6.733 CV 1
ASSI { 846}
( segid " " and resid 7 and name HD1%)
( segid " " and resid 8 and name HE% )
3.800 1.800 1.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.55166E-03 ppm1 0.637 ppm2 6.781 CV 1
ASSI { 847}
( segid " " and resid 7 and name HD2%)
( segid " " and resid 8 and name HE% )
4.200 2.300 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.29247E-03 ppm1 0.712 ppm2 6.782 CV 1
ASSI { 848}
( segid " " and resid 7 and name HD2%)
( segid " " and resid 8 and name HD% )
3.600 1.600 1.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.76341E-03 ppm1 0.712 ppm2 6.956 CV 1
ASSI { 849}
( segid " " and resid 7 and name HD2%)
( segid " " and resid 16 and name HD% )
3.500 1.500 1.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.90433E-03 ppm1 0.713 ppm2 6.967 CV 1
ASSI { 850}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 16 and name HD% )
3.700 1.700 1.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.71738E-03 ppm1 0.870 ppm2 6.974 CV 1
ASSI { 851}
( segid " " and resid 23 and name HD2%)
( segid " " and resid 8 and name HD% )
2.300 2.300 3.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.12273E-01 ppm1 1.017 ppm2 6.946 CV 1
ASSI { 853}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 16 and name HD% )
2.600 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.59890E-02 ppm1 1.233 ppm2 6.968 CV 1
ASSI { 854}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 16 and name HD% )
2.800 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.36202E-02 ppm1 1.323 ppm2 6.967 CV 1
ASSI { 855}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 8 and name HD% )
2.700 0.900 0.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.48063E-02 ppm1 1.396 ppm2 6.951 CV 1
ASSI { 856}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 16 and name HD% )
2.800 2.800 3.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.36796E-02 ppm1 1.565 ppm2 6.965 CV 1
ASSI { 857}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 8 and name HD% )
3.200 3.200 2.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.16486E-02 ppm1 1.667 ppm2 6.950 CV 1
ASSI { 858}
( segid " " and resid 23 and name HD1%)
(( segid " " and resid 26 and name HD2 ))
2.300 2.300 3.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.12889E-01 ppm1 0.978 ppm2 7.164 CV 1
ASSI { 859}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.36173E-02 ppm1 1.074 ppm2 7.242 CV 1
ASSI { 860}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.48609E-02 ppm1 0.909 ppm2 7.239 CV 1
ASSI { 861}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 25 and name HE21))
3.300 1.400 1.400 peak 861 spectrum 1 weight 0.10000E+01 volume 0.12216E-02 ppm1 1.224 ppm2 7.418 CV 1
ASSI { 862}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 30 and name HN ))
2.800 2.800 3.200 peak 862 spectrum 1 weight 0.10000E+01 volume 0.35543E-02 ppm1 1.675 ppm2 7.369 CV 1
OR { 862}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 863}
( segid " " and resid 23 and name HD2%)
( segid " " and resid 8 and name HE% )
2.900 2.900 3.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 1.011 ppm2 6.779 CV 1
ASSI { 864}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 16 and name HE% )
3.000 3.000 3.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 0.873 ppm2 6.736 CV 1
ASSI { 866}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 16 and name HE% )
3.300 1.400 1.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 1.230 ppm2 6.733 CV 1
ASSI { 867}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 16 and name HE% )
3.400 3.400 2.600 peak 867 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 1.320 ppm2 6.736 CV 1
ASSI { 868}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 16 and name HE% )
2.600 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.54366E-02 ppm1 1.568 ppm2 6.734 CV 1
ASSI { 869}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 8 and name HE% )
3.600 3.600 2.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.75066E-03 ppm1 1.227 ppm2 6.781 CV 1
ASSI { 870}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 25 and name HE22))
3.300 1.400 1.400 peak 870 spectrum 1 weight 0.10000E+01 volume 0.12400E-02 ppm1 1.221 ppm2 6.851 CV 1
ASSI { 871}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 8 and name HE% )
2.700 0.900 0.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.47978E-02 ppm1 1.404 ppm2 6.781 CV 1
ASSI { 873}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 8 and name HE% )
3.600 1.600 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.75349E-03 ppm1 1.663 ppm2 6.781 CV 1
ASSI { 874}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 12 and name HD% )
3.600 1.600 1.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.77049E-03 ppm1 1.688 ppm2 7.065 CV 1
ASSI { 876}
( segid " " and resid 23 and name HD2%)
( segid " " and resid 12 and name HE% )
3.800 1.800 1.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.60124E-03 ppm1 1.011 ppm2 7.206 CV 1
OR { 876}
( segid " " and resid 23 and name HD2%)
(( segid " " and resid 28 and name HN ))
ASSI { 877}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 8 and name HD% )
3.800 1.800 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.61044E-03 ppm1 2.037 ppm2 6.946 CV 1
ASSI { 878}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 8 and name HD% )
3.900 1.900 1.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.51696E-03 ppm1 1.908 ppm2 6.947 CV 1
ASSI { 879}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 8 and name HD% )
4.000 2.000 2.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.42915E-03 ppm1 2.127 ppm2 6.946 CV 1
ASSI { 880}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 12 and name HD% )
3.400 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 1.986 ppm2 7.068 CV 1
ASSI { 881}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.28723E-02 ppm1 1.983 ppm2 7.165 CV 1
ASSI { 882}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.200 1.200 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.17499E-02 ppm1 2.037 ppm2 7.240 CV 1
ASSI { 883}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 12 and name HD% )
2.800 2.800 3.200 peak 883 spectrum 1 weight 0.10000E+01 volume 0.35550E-02 ppm1 2.234 ppm2 7.068 CV 1
ASSI { 884}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 12 and name HD% )
3.800 1.800 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.57078E-03 ppm1 2.420 ppm2 7.068 CV 1
ASSI { 886}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
2.500 0.800 0.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.72517E-02 ppm1 2.429 ppm2 7.166 CV 1
ASSI { 888}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
2.900 1.100 1.100 peak 888 spectrum 1 weight 0.10000E+01 volume 0.26549E-02 ppm1 2.519 ppm2 7.165 CV 1
ASSI { 889}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.700 1.700 1.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.69401E-03 ppm1 2.526 ppm2 7.202 CV 1
ASSI { 890}
(( segid " " and resid 20 and name HD3 ))
( segid " " and resid 8 and name HD% )
3.500 1.600 1.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.87034E-03 ppm1 3.151 ppm2 6.945 CV 1
OR { 890}
(( segid " " and resid 20 and name HD2 ))
( segid " " and resid 8 and name HD% )
ASSI { 891}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 8 and name HD% )
3.000 1.100 1.100 peak 891 spectrum 1 weight 0.10000E+01 volume 0.24687E-02 ppm1 3.355 ppm2 6.946 CV 1
ASSI { 892}
(( segid " " and resid 20 and name HD3 ))
( segid " " and resid 8 and name HE% )
2.800 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.33036E-02 ppm1 3.148 ppm2 6.782 CV 1
OR { 892}
(( segid " " and resid 20 and name HD2 ))
( segid " " and resid 8 and name HE% )
ASSI { 893}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 8 and name HE% )
3.300 1.300 1.300 peak 893 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 3.352 ppm2 6.779 CV 1
ASSI { 894}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
3.100 1.200 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.18448E-02 ppm1 3.304 ppm2 7.166 CV 1
ASSI { 895}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 12 and name HD% )
3.100 1.200 1.200 peak 895 spectrum 1 weight 0.10000E+01 volume 0.18774E-02 ppm1 4.030 ppm2 7.065 CV 1
ASSI { 896}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 16 and name HD% )
2.700 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.45068E-02 ppm1 4.021 ppm2 6.969 CV 1
ASSI { 899}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 8 and name HD% )
3.200 1.200 1.200 peak 899 spectrum 1 weight 0.10000E+01 volume 0.17343E-02 ppm1 4.297 ppm2 6.946 CV 1
ASSI { 900}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 16 and name HD% )
3.300 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13717E-02 ppm1 4.469 ppm2 6.969 CV 1
ASSI { 901}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 16 and name HE% )
3.200 1.300 1.300 peak 901 spectrum 1 weight 0.10000E+01 volume 0.16479E-02 ppm1 4.024 ppm2 6.734 CV 1
ASSI { 902}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 8 and name HE% )
3.900 1.900 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.50563E-03 ppm1 3.850 ppm2 6.779 CV 1
ASSI { 904}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HD1 ))
3.300 1.300 1.300 peak 904 spectrum 1 weight 0.10000E+01 volume 0.14355E-02 ppm1 4.395 ppm2 7.054 CV 1
ASSI { 905}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 26 and name HD2 ))
3.500 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.91991E-03 ppm1 4.536 ppm2 7.166 CV 1
ASSI { 906}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 19 and name HN ))
3.200 1.200 1.200 peak 906 spectrum 1 weight 0.10000E+01 volume 0.17428E-02 ppm1 5.102 ppm2 7.240 CV 1
ASSI { 907}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 16 and name HE% )
3.500 3.500 2.500 peak 907 spectrum 1 weight 0.10000E+01 volume 0.97090E-03 ppm1 4.476 ppm2 6.731 CV 1
ASSI { 908}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 908 spectrum 1 weight 0.10000E+01 volume 0.20190E-02 ppm1 7.063 ppm2 7.350 CV 1
ASSI { 909}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.700 0.900 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.40352E-02 ppm1 4.180 ppm2 3.706 CV 1
ASSI { 910}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HB3 ))
3.100 3.100 2.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 4.476 ppm2 2.832 CV 1
ASSI { 914}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 17 and name HB3 ))
3.400 3.400 2.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.11798E-02 ppm1 2.825 ppm2 2.034 CV 1
ASSI { 918}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 23 and name HD1%)
2.300 2.300 3.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 4.535 ppm2 0.978 CV 1
ASSI { 919}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 23 and name HD2%)
3.400 1.500 1.500 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10552E-02 ppm1 4.015 ppm2 1.008 CV 1
ASSI { 920}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 23 and name HD1%)
3.100 3.100 2.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 4.018 ppm2 0.974 CV 1
ASSI { 921}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 22 and name HG2%)
3.200 1.300 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.16791E-02 ppm1 4.182 ppm2 1.067 CV 1
ASSI { 922}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 21 and name HG2%)
3.500 1.600 1.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.88875E-03 ppm1 4.180 ppm2 1.229 CV 1
ASSI { 923}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.800 2.800 3.200 peak 923 spectrum 1 weight 0.10000E+01 volume 0.32611E-02 ppm1 5.105 ppm2 1.234 CV 1
ASSI { 924}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 22 and name HG2%)
3.000 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.21918E-02 ppm1 5.102 ppm2 1.066 CV 1
ASSI { 926}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 7 and name HD2%)
2.400 2.400 3.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.85476E-02 ppm1 4.297 ppm2 0.710 CV 1
ASSI { 931}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 14 and name HD1%)
2.800 2.800 3.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 3.913 ppm2 0.765 CV 1
ASSI { 932}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 14 and name HD2%)
3.200 1.300 1.300 peak 932 spectrum 1 weight 0.10000E+01 volume 0.14737E-02 ppm1 3.912 ppm2 0.852 CV 1
ASSI { 935}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 7 and name HB2 ))
3.500 3.500 2.500 peak 935 spectrum 1 weight 0.10000E+01 volume 0.90362E-03 ppm1 3.025 ppm2 1.235 CV 1
OR { 935}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 936}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 7 and name HG ))
2.900 1.000 1.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.31783E-02 ppm1 3.028 ppm2 1.380 CV 1
OR { 936}
(( segid " " and resid 18 and name HE2 ))
(( segid " " and resid 7 and name HG ))
ASSI { 937}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 23 and name HB2 ))
3.200 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.14794E-02 ppm1 2.608 ppm2 1.343 CV 1
ASSI { 938}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 23 and name HB2 ))
3.300 1.400 1.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 2.711 ppm2 1.342 CV 1
ASSI { 939}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 20 and name HG2 ))
3.700 1.700 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.69330E-03 ppm1 2.825 ppm2 1.397 CV 1
OR { 939}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 940}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 7 and name HB3 ))
3.500 3.500 2.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.94895E-03 ppm1 2.826 ppm2 1.318 CV 1
ASSI { 946}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 22 and name HG2%)
2.600 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.53247E-02 ppm1 1.896 ppm2 1.067 CV 1
ASSI { 947}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 22 and name HG2%)
2.700 0.900 0.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.45224E-02 ppm1 2.037 ppm2 1.068 CV 1
ASSI { 948}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 22 and name HG2%)
2.600 2.600 3.400 peak 948 spectrum 1 weight 0.10000E+01 volume 0.51618E-02 ppm1 2.201 ppm2 1.067 CV 1
ASSI { 949}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 23 and name HD2%)
3.500 1.500 1.500 peak 949 spectrum 1 weight 0.10000E+01 volume 0.90717E-03 ppm1 1.899 ppm2 1.007 CV 1
ASSI { 950}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 23 and name HD2%)
3.500 1.500 1.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.10141E-02 ppm1 2.040 ppm2 1.007 CV 1
ASSI { 952}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 23 and name HD1%)
2.800 1.000 1.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.36733E-02 ppm1 2.204 ppm2 0.979 CV 1
ASSI { 953}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 23 and name HD1%)
3.100 3.100 2.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.19538E-02 ppm1 1.896 ppm2 0.977 CV 1
ASSI { 954}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 22 and name HD1%)
2.500 2.500 3.500 peak 954 spectrum 1 weight 0.10000E+01 volume 0.75703E-02 ppm1 1.848 ppm2 0.900 CV 1
ASSI { 955}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 22 and name HD1%)
2.800 1.000 1.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.33383E-02 ppm1 1.947 ppm2 0.897 CV 1
ASSI { 956}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 23 and name HD1%)
2.400 2.400 3.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.90787E-02 ppm1 2.432 ppm2 0.977 CV 1
ASSI { 957}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 23 and name HD1%)
2.400 2.400 3.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.93549E-02 ppm1 2.608 ppm2 0.977 CV 1
ASSI { 958}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 22 and name HG2%)
2.700 2.700 3.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.42412E-02 ppm1 2.606 ppm2 1.070 CV 1
ASSI { 959}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 23 and name HD2%)
2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.44416E-02 ppm1 2.713 ppm2 1.010 CV 1
ASSI { 960}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 23 and name HD2%)
2.200 2.200 3.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.15983E-01 ppm1 2.828 ppm2 1.007 CV 1
ASSI { 963}
(( segid " " and resid 27 and name HG2 ))
( segid " " and resid 23 and name HD1%)
2.600 2.600 3.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.57333E-02 ppm1 3.085 ppm2 0.978 CV 1
ASSI { 964}
(( segid " " and resid 27 and name HG3 ))
( segid " " and resid 23 and name HD1%)
3.100 3.100 2.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.21111E-02 ppm1 3.205 ppm2 0.977 CV 1
ASSI { 967}
(( segid " " and resid 27 and name HG2 ))
( segid " " and resid 23 and name HD2%)
3.700 1.800 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.61894E-03 ppm1 3.091 ppm2 1.011 CV 1
ASSI { 968}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 23 and name HD2%)
2.700 2.700 3.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.44091E-02 ppm1 3.355 ppm2 1.010 CV 1
ASSI { 969}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 22 and name HG2%)
3.100 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.20778E-02 ppm1 3.379 ppm2 1.066 CV 1
ASSI { 970}
(( segid " " and resid 18 and name HE2 ))
( segid " " and resid 22 and name HD1%)
3.500 3.500 2.500 peak 970 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 3.022 ppm2 0.899 CV 1
OR { 970}
(( segid " " and resid 18 and name HE3 ))
( segid " " and resid 22 and name HD1%)
ASSI { 972}
(( segid " " and resid 5 and name HG2 ))
( segid " " and resid 7 and name HD2%)
3.300 1.400 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 1.965 ppm2 0.709 CV 1
OR { 972}
(( segid " " and resid 5 and name HG3 ))
( segid " " and resid 7 and name HD2%)
ASSI { 974}
(( segid " " and resid 11 and name HG2 ))
( segid " " and resid 14 and name HD1%)
3.900 1.900 1.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.48226E-03 ppm1 1.827 ppm2 0.762 CV 1
ASSI { 978}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 20 and name HG3 ))
3.700 1.700 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.66922E-03 ppm1 2.531 ppm2 1.402 CV 1
ASSI { 979}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 20 and name HG3 ))
3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.48935E-03 ppm1 2.372 ppm2 1.400 CV 1
ASSI { 980}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.900 1.100 1.100 peak 980 spectrum 1 weight 0.10000E+01 volume 0.27484E-02 ppm1 3.355 ppm2 1.341 CV 1
ASSI { 981}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 23 and name HD1%)
3.000 3.000 3.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.23348E-02 ppm1 2.040 ppm2 0.977 CV 1
ASSI { 983}
(( segid " " and resid 18 and name HD2 ))
( segid " " and resid 7 and name HD2%)
3.400 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 1.709 ppm2 0.709 CV 1
OR { 983}
(( segid " " and resid 18 and name HD3 ))
( segid " " and resid 7 and name HD2%)
ASSI { 984}
( segid " " and resid 14 and name HD1%)
( segid " " and resid 9 and name HD1%)
2.200 2.200 3.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.15367E-01 ppm1 0.769 ppm2 -0.138 CV 1
ASSI { 985}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 9 and name HD1%)
3.400 1.400 1.400 peak 985 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 1.350 ppm2 -0.140 CV 1
ASSI { 987}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 9 and name HD1%)
3.100 1.200 1.200 peak 987 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 2.013 ppm2 -0.139 CV 1
ASSI { 998}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 998 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 3.353 ppm2 8.377 CV 1
ASSI { 999}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.482 ppm2 7.617 CV 1
ASSI { 1000}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.559 ppm2 7.623 CV 1
ASSI { 1001}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HD2 ))
2.800 0.900 0.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.39445E-02 ppm1 4.033 ppm2 7.165 CV 1
ASSI { 1002}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 8 and name HD% )
2.900 1.100 1.100 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.27406E-02 ppm1 4.480 ppm2 6.948 CV 1
ASSI { 1003}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 17 and name HB3 ))
3.500 3.500 2.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.92204E-03 ppm1 4.179 ppm2 2.035 CV 1
ASSI { 1005}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 26 and name HD2 ))
2.800 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.32399E-02 ppm1 3.205 ppm2 7.166 CV 1
ASSI { 1006}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 26 and name HD2 ))
2.700 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.41371E-02 ppm1 3.085 ppm2 7.166 CV 1
ASSI { 1008}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HD2 ))
3.600 1.600 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.75066E-03 ppm1 4.181 ppm2 7.167 CV 1
ASSI { 1011}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 14 and name HD1%)
3.800 3.800 2.200 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.59840E-03 ppm1 1.677 ppm2 0.770 CV 1
ASSI { 1014}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 9 and name HD1%)
2.800 1.000 1.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.33015E-02 ppm1 3.968 ppm2 -0.136 CV 1
ASSI { 1016}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 23 and name HD1%)
4.000 2.000 2.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.40791E-03 ppm1 2.713 ppm2 0.980 CV 1
ASSI { 1017}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 23 and name HD1%)
3.700 1.700 1.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.70392E-03 ppm1 2.826 ppm2 0.979 CV 1
ASSI { 1020}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HA ))
2.900 2.900 3.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.27718E-02 ppm1 4.176 ppm2 3.362 CV 1
ASSI { 1022}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 26 and name HE1 ))
4.000 2.000 2.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.40649E-03 ppm1 7.371 ppm2 7.992 CV 1
ASSI { 1024}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.839 ppm2 7.996 CV 1
ASSI { 1025}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 23 and name HD2%)
3.000 1.100 1.100 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.24113E-02 ppm1 4.535 ppm2 1.010 CV 1
ASSI { 1026}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.500 0.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.359 ppm2 2.124 CV 1
ASSI { 1027}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
3.100 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.18285E-02 ppm1 4.470 ppm2 1.693 CV 1
ASSI { 1028}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HD2 ))
2.700 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.41605E-02 ppm1 4.470 ppm2 1.631 CV 1
OR { 1028}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HD3 ))
ASSI { 1029}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.627 ppm2 7.621 CV 1
OR { 1029}
(( segid " " and resid 15 and name HD3 ))
(( segid " " and resid 15 and name HN ))
ASSI { 1031}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.400 ppm2 7.622 CV 1
OR { 1031}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HN ))
ASSI { 1032}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.69755E-03 ppm1 1.393 ppm2 8.417 CV 1
OR { 1032}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 16 and name HN ))
ASSI { 1033}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.695 ppm2 8.418 CV 1
ASSI { 1037}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG2 ))
6.000 4.500 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.480 ppm2 1.394 CV 1
OR { 1037}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 1038}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
3.200 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 4.470 ppm2 1.559 CV 1
ASSI { 1039}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
4.300 2.300 1.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.28964E-03 ppm1 8.319 ppm2 8.558 CV 1
ASSI { 1040}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.547 ppm2 1.085 CV 1
Contact the webmaster for help, if required. Saturday, April 27, 2024 3:53:59 PM GMT (wattos1)