NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
13270 |
1ugl   |
5848 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 1 spectrum 1 weight .10000E+01 volume .16255E-02 ppm1 8.349 ppm2 4.458 CV
ASSI { 2}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.700 2.700 3.300 peak 2 spectrum 1 weight .10000E+01 volume .21248E-02 ppm1 8.344 ppm2 1.999 CV
ASSI { 3}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB3 ))
3.200 1.300 1.300 peak 3 spectrum 1 weight .10000E+01 volume .73622E-03 ppm1 8.345 ppm2 2.059 CV
ASSI { 4}
(( segid " " and resid 7 and name HB ))
(( segid " " and resid 7 and name HA ))
2.900 1.000 1.000 peak 4 spectrum 1 weight .10000E+01 volume .13850E-02 ppm1 3.937 ppm2 4.855 CV
ASSI { 5}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 7 and name HA ))
2.400 .700 .700 peak 5 spectrum 1 weight .10000E+01 volume .45922E-02 ppm1 1.107 ppm2 4.857 CV
ASSI { 9}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HA ))
3.200 1.300 1.300 peak 9 spectrum 1 weight .10000E+01 volume .74715E-03 ppm1 2.778 ppm2 4.406 CV
ASSI { 10}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HA ))
3.300 1.400 1.400 peak 10 spectrum 1 weight .10000E+01 volume .58314E-03 ppm1 2.727 ppm2 4.401 CV
ASSI { 11}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
2.700 .900 .900 peak 11 spectrum 1 weight .10000E+01 volume .19572E-02 ppm1 8.254 ppm2 4.406 CV
ASSI { 12}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA1 ))
2.600 .900 .900 peak 12 spectrum 1 weight .10000E+01 volume .23107E-02 ppm1 8.286 ppm2 4.079 CV
ASSI { 13}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HA ))
2.600 .800 .800 peak 13 spectrum 1 weight .10000E+01 volume .26970E-02 ppm1 3.172 ppm2 4.68 CV
ASSI { 14}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
2.700 .900 .900 peak 14 spectrum 1 weight .10000E+01 volume .19243E-02 ppm1 2.87 ppm2 4.682 CV
ASSI { 15}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.700 .900 .900 peak 15 spectrum 1 weight .10000E+01 volume .20848E-02 ppm1 7.943 ppm2 4.684 CV
ASSI { 16}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB3 ))
3.000 1.100 1.100 peak 16 spectrum 1 weight .10000E+01 volume .11262E-02 ppm1 7.942 ppm2 3.187 CV
ASSI { 17}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.700 .900 .900 peak 17 spectrum 1 weight .10000E+01 volume .21285E-02 ppm1 8.422 ppm2 4.353 CV
ASSI { 18}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.700 .900 .900 peak 18 spectrum 1 weight .10000E+01 volume .22524E-02 ppm1 8.374 ppm2 4.484 CV
ASSI { 19}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HA ))
2.500 .800 .800 peak 19 spectrum 1 weight .10000E+01 volume .35353E-02 ppm1 1.596 ppm2 4.272 CV
ASSI { 20}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.700 .900 .900 peak 20 spectrum 1 weight .10000E+01 volume .18552E-02 ppm1 1.684 ppm2 4.271 CV
ASSI { 21}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 13 and name HA ))
3.100 1.200 1.200 peak 21 spectrum 1 weight .10000E+01 volume .92573E-03 ppm1 0.947 ppm2 4.265 CV
ASSI { 22}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 13 and name HA ))
2.600 2.600 3.400 peak 22 spectrum 1 weight .10000E+01 volume .28100E-02 ppm1 0.902 ppm2 4.268 CV
ASSI { 23}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 13 and name HA ))
3.100 1.200 1.200 peak 23 spectrum 1 weight .10000E+01 volume .92942E-03 ppm1 1.738 ppm2 4.272 CV
ASSI { 24}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.400 .700 .700 peak 24 spectrum 1 weight .10000E+01 volume .38633E-02 ppm1 8.223 ppm2 4.271 CV
ASSI { 26}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.100 2.100 3.900 peak 26 spectrum 1 weight .10000E+01 volume .81640E-02 ppm1 8.224 ppm2 1.693 CV
ASSI { 29}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.600 .800 .800 peak 29 spectrum 1 weight .10000E+01 volume .25403E-02 ppm1 8.156 ppm2 4.531 CV
ASSI { 30}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
2.500 .800 .800 peak 30 spectrum 1 weight .10000E+01 volume .28683E-02 ppm1 1.561 ppm2 4.155 CV
ASSI { 31}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.300 .700 .700 peak 31 spectrum 1 weight .10000E+01 volume .48109E-02 ppm1 1.65 ppm2 4.156 CV
ASSI { 32}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HA ))
2.600 .800 .800 peak 32 spectrum 1 weight .10000E+01 volume .28465E-02 ppm1 0.917 ppm2 4.157 CV
ASSI { 33}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 19 and name HA ))
2.400 .700 .700 peak 33 spectrum 1 weight .10000E+01 volume .37175E-02 ppm1 0.857 ppm2 4.156 CV
ASSI { 34}
(( segid " " and resid 19 and name HG ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 34 spectrum 1 weight .10000E+01 volume .16874E-02 ppm1 1.597 ppm2 4.16 CV
ASSI { 35}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.300 .700 .700 peak 35 spectrum 1 weight .10000E+01 volume .54669E-02 ppm1 7.766 ppm2 4.151 CV
ASSI { 36}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB3 ))
2.500 .800 .800 peak 36 spectrum 1 weight .10000E+01 volume .33385E-02 ppm1 7.765 ppm2 1.564 CV
ASSI { 37}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.200 2.200 3.800 peak 37 spectrum 1 weight .10000E+01 volume .61595E-02 ppm1 7.767 ppm2 1.662 CV
ASSI { 39}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 39 spectrum 1 weight .10000E+01 volume .16328E-02 ppm1 2.286 ppm2 4.128 CV
ASSI { 40}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HA ))
2.400 .800 .800 peak 40 spectrum 1 weight .10000E+01 volume .36337E-02 ppm1 2.103 ppm2 4.127 CV
ASSI { 41}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HA ))
2.800 .900 .900 peak 41 spectrum 1 weight .10000E+01 volume .18041E-02 ppm1 2.141 ppm2 4.131 CV
ASSI { 43}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.500 .800 .800 peak 43 spectrum 1 weight .10000E+01 volume .33130E-02 ppm1 7.527 ppm2 4.127 CV
ASSI { 44}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.300 2.300 3.700 peak 44 spectrum 1 weight .10000E+01 volume .48838E-02 ppm1 7.528 ppm2 2.288 CV
ASSI { 45}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB3 ))
2.600 .800 .800 peak 45 spectrum 1 weight .10000E+01 volume .28100E-02 ppm1 7.528 ppm2 2.107 CV
ASSI { 46}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HA ))
2.900 1.100 1.100 peak 46 spectrum 1 weight .10000E+01 volume .12064E-02 ppm1 2.34 ppm2 3.919 CV
ASSI { 50}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HA ))
3.100 1.200 1.200 peak 50 spectrum 1 weight .10000E+01 volume .92942E-03 ppm1 2.388 ppm2 4.004 CV
ASSI { 51}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HA ))
2.700 .900 .900 peak 51 spectrum 1 weight .10000E+01 volume .20046E-02 ppm1 2.301 ppm2 3.998 CV
ASSI { 53}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.300 .700 .700 peak 53 spectrum 1 weight .10000E+01 volume .47745E-02 ppm1 7.962 ppm2 2.129 CV
ASSI { 54}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG3 ))
2.700 .900 .900 peak 54 spectrum 1 weight .10000E+01 volume .19499E-02 ppm1 7.958 ppm2 2.379 CV
ASSI { 55}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG2 ))
2.700 .900 .900 peak 55 spectrum 1 weight .10000E+01 volume .20119E-02 ppm1 7.958 ppm2 2.301 CV
ASSI { 57}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
2.500 .800 .800 peak 57 spectrum 1 weight .10000E+01 volume .32474E-02 ppm1 1.844 ppm2 3.999 CV
ASSI { 59}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HA ))
4.000 2.000 2.000 peak 59 spectrum 1 weight .10000E+01 volume .18150E-03 ppm1 2.849 ppm2 4.001 CV
ASSI { 60}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HA ))
3.000 1.200 1.200 peak 60 spectrum 1 weight .10000E+01 volume .99501E-03 ppm1 1.619 ppm2 3.999 CV
ASSI { 61}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HA ))
2.900 1.100 1.100 peak 61 spectrum 1 weight .10000E+01 volume .12392E-02 ppm1 1.552 ppm2 4.001 CV
ASSI { 62}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.300 .700 .700 peak 62 spectrum 1 weight .10000E+01 volume .48474E-02 ppm1 8.083 ppm2 3.998 CV
ASSI { 63}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HA ))
2.700 .900 .900 peak 63 spectrum 1 weight .10000E+01 volume .18150E-02 ppm1 2.945 ppm2 4.496 CV
ASSI { 64}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HA ))
2.800 1.000 1.000 peak 64 spectrum 1 weight .10000E+01 volume .16766E-02 ppm1 2.622 ppm2 4.498 CV
ASSI { 65}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
2.600 .800 .800 peak 65 spectrum 1 weight .10000E+01 volume .28136E-02 ppm1 7.871 ppm2 4.498 CV
ASSI { 66}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB3 ))
2.300 2.300 3.700 peak 66 spectrum 1 weight .10000E+01 volume .55763E-02 ppm1 7.869 ppm2 2.944 CV
ASSI { 67}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
2.600 .900 .900 peak 67 spectrum 1 weight .10000E+01 volume .23508E-02 ppm1 7.87 ppm2 2.63 CV
ASSI { 68}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 68 spectrum 1 weight .10000E+01 volume .17349E-02 ppm1 1.931 ppm2 4.168 CV
ASSI { 69}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HA ))
2.500 .800 .800 peak 69 spectrum 1 weight .10000E+01 volume .29522E-02 ppm1 1.882 ppm2 4.17 CV
ASSI { 70}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.500 .800 .800 peak 70 spectrum 1 weight .10000E+01 volume .32182E-02 ppm1 7.676 ppm2 4.166 CV
ASSI { 71}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HA ))
2.600 .900 .900 peak 71 spectrum 1 weight .10000E+01 volume .23289E-02 ppm1 4.04 ppm2 4.185 CV
ASSI { 72}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HA ))
2.100 .600 .600 peak 72 spectrum 1 weight .10000E+01 volume .90022E-02 ppm1 1.219 ppm2 4.188 CV
ASSI { 73}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.500 .800 .800 peak 73 spectrum 1 weight .10000E+01 volume .30542E-02 ppm1 7.925 ppm2 4.183 CV
ASSI { 74}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB ))
2.500 2.500 3.500 peak 74 spectrum 1 weight .10000E+01 volume .28902E-02 ppm1 7.926 ppm2 4.051 CV
ASSI { 76}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 76 spectrum 1 weight .10000E+01 volume .16110E-02 ppm1 1.361 ppm2 3.856 CV
ASSI { 78}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 27 and name HA ))
2.600 .900 .900 peak 78 spectrum 1 weight .10000E+01 volume .22779E-02 ppm1 0.744 ppm2 3.858 CV
ASSI { 79}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HA ))
2.200 .600 .600 peak 79 spectrum 1 weight .10000E+01 volume .77630E-02 ppm1 0.609 ppm2 3.858 CV
OR { 79}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 27 and name HA ))
ASSI { 80}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.700 .900 .900 peak 80 spectrum 1 weight .10000E+01 volume .21758E-02 ppm1 8.029 ppm2 3.858 CV
ASSI { 81}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
2.800 1.000 1.000 peak 81 spectrum 1 weight .10000E+01 volume .14688E-02 ppm1 6.563 ppm2 5.085 CV
ASSI { 82}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HE2 ))
3.300 1.400 1.400 peak 82 spectrum 1 weight .10000E+01 volume .60866E-03 ppm1 6.563 ppm2 2.983 CV
OR { 82}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HE3 ))
ASSI { 83}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB3 ))
2.900 1.000 1.000 peak 83 spectrum 1 weight .10000E+01 volume .13267E-02 ppm1 6.564 ppm2 3.136 CV
ASSI { 85}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.800 1.000 1.000 peak 85 spectrum 1 weight .10000E+01 volume .17057E-02 ppm1 1.763 ppm2 4.456 CV
ASSI { 88}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.700 .900 .900 peak 88 spectrum 1 weight .10000E+01 volume .22378E-02 ppm1 8.553 ppm2 4.455 CV
ASSI { 90}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
2.600 .900 .900 peak 90 spectrum 1 weight .10000E+01 volume .23508E-02 ppm1 8.555 ppm2 1.773 CV
ASSI { 91}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA2 ))
2.600 .800 .800 peak 91 spectrum 1 weight .10000E+01 volume .27116E-02 ppm1 8.036 ppm2 4.283 CV
ASSI { 92}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA1 ))
2.300 .600 .600 peak 92 spectrum 1 weight .10000E+01 volume .59772E-02 ppm1 8.04 ppm2 3.672 CV
ASSI { 94}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 32 and name HA ))
2.500 .800 .800 peak 94 spectrum 1 weight .10000E+01 volume .32510E-02 ppm1 2.257 ppm2 4.011 CV
OR { 94}
(( segid " " and resid 32 and name HG3 ))
(( segid " " and resid 32 and name HA ))
ASSI { 95}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
2.100 2.100 3.900 peak 95 spectrum 1 weight .10000E+01 volume .10278E-01 ppm1 8.393 ppm2 4.001 CV
ASSI { 96}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB3 ))
2.600 .900 .900 peak 96 spectrum 1 weight .10000E+01 volume .23981E-02 ppm1 8.395 ppm2 2.16 CV
ASSI { 97}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HG2 ))
2.400 .700 .700 peak 97 spectrum 1 weight .10000E+01 volume .40820E-02 ppm1 8.394 ppm2 2.259 CV
OR { 97}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HG3 ))
ASSI { 98}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HA ))
2.900 1.000 1.000 peak 98 spectrum 1 weight .10000E+01 volume .13850E-02 ppm1 3.23 ppm2 5.458 CV
ASSI { 99}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HA ))
2.700 .900 .900 peak 99 spectrum 1 weight .10000E+01 volume .18843E-02 ppm1 2.498 ppm2 5.457 CV
ASSI { 100}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
2.700 .900 .900 peak 100 spectrum 1 weight .10000E+01 volume .20811E-02 ppm1 8.942 ppm2 5.456 CV
ASSI { 101}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB3 ))
2.600 .900 .900 peak 101 spectrum 1 weight .10000E+01 volume .23071E-02 ppm1 8.945 ppm2 3.238 CV
ASSI { 103}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 34 and name HA ))
2.900 1.100 1.100 peak 103 spectrum 1 weight .10000E+01 volume .13194E-02 ppm1 2.98 ppm2 4.627 CV
OR { 103}
(( segid " " and resid 25 and name HE2 ))
(( segid " " and resid 34 and name HA ))
ASSI { 105}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
1.700 1.700 4.300 peak 105 spectrum 1 weight .10000E+01 volume .31015E-01 ppm1 8.813 ppm2 4.633 CV
ASSI { 106}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HA ))
2.800 1.000 1.000 peak 106 spectrum 1 weight .10000E+01 volume .17823E-02 ppm1 3.304 ppm2 5.1 CV
ASSI { 107}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.800 1.000 1.000 peak 107 spectrum 1 weight .10000E+01 volume .15927E-02 ppm1 9.22 ppm2 5.103 CV
ASSI { 108}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB3 ))
2.500 .800 .800 peak 108 spectrum 1 weight .10000E+01 volume .31599E-02 ppm1 9.22 ppm2 3.311 CV
ASSI { 109}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
2.700 .900 .900 peak 109 spectrum 1 weight .10000E+01 volume .22014E-02 ppm1 9.22 ppm2 2.461 CV
ASSI { 110}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HA ))
2.600 .800 .800 peak 110 spectrum 1 weight .10000E+01 volume .25694E-02 ppm1 3.68 ppm2 4.927 CV
ASSI { 111}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HA ))
2.600 .900 .900 peak 111 spectrum 1 weight .10000E+01 volume .23144E-02 ppm1 3.736 ppm2 4.926 CV
ASSI { 112}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 112 spectrum 1 weight .10000E+01 volume .13121E-02 ppm1 9.357 ppm2 4.929 CV
ASSI { 113}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB3 ))
2.800 1.000 1.000 peak 113 spectrum 1 weight .10000E+01 volume .14980E-02 ppm1 9.357 ppm2 3.69 CV
ASSI { 114}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
2.700 .900 .900 peak 114 spectrum 1 weight .10000E+01 volume .22378E-02 ppm1 9.351 ppm2 3.742 CV
ASSI { 115}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.700 .900 .900 peak 115 spectrum 1 weight .10000E+01 volume .18260E-02 ppm1 2.655 ppm2 5.17 CV
ASSI { 116}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 116 spectrum 1 weight .10000E+01 volume .17057E-02 ppm1 2.858 ppm2 5.167 CV
ASSI { 117}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.700 .900 .900 peak 117 spectrum 1 weight .10000E+01 volume .19280E-02 ppm1 8.754 ppm2 5.167 CV
ASSI { 118}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
2.400 .700 .700 peak 118 spectrum 1 weight .10000E+01 volume .44829E-02 ppm1 8.755 ppm2 2.666 CV
ASSI { 119}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB3 ))
2.600 .900 .900 peak 119 spectrum 1 weight .10000E+01 volume .22670E-02 ppm1 8.753 ppm2 2.864 CV
ASSI { 120}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HA ))
2.900 1.100 1.100 peak 120 spectrum 1 weight .10000E+01 volume .13011E-02 ppm1 4.013 ppm2 4.724 CV
ASSI { 121}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.700 .900 .900 peak 121 spectrum 1 weight .10000E+01 volume .21576E-02 ppm1 3.761 ppm2 4.724 CV
ASSI { 122}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 122 spectrum 1 weight .10000E+01 volume .17786E-02 ppm1 8.651 ppm2 4.718 CV
ASSI { 124}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HA ))
2.600 .800 .800 peak 124 spectrum 1 weight .10000E+01 volume .26169E-02 ppm1 2.209 ppm2 4.437 CV
ASSI { 125}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HA ))
2.700 .900 .900 peak 125 spectrum 1 weight .10000E+01 volume .18260E-02 ppm1 1.939 ppm2 4.437 CV
ASSI { 126}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HA ))
3.200 1.200 1.200 peak 126 spectrum 1 weight .10000E+01 volume .79818E-03 ppm1 2.531 ppm2 4.437 CV
ASSI { 127}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HA ))
3.100 1.200 1.200 peak 127 spectrum 1 weight .10000E+01 volume .95857E-03 ppm1 2.45 ppm2 4.437 CV
ASSI { 129}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB3 ))
3.000 1.100 1.100 peak 129 spectrum 1 weight .10000E+01 volume .10752E-02 ppm1 8.442 ppm2 2.217 CV
ASSI { 131}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 42 and name HA ))
2.400 .700 .700 peak 131 spectrum 1 weight .10000E+01 volume .43736E-02 ppm1 1.07 ppm2 5.35 CV
ASSI { 132}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
3.000 1.100 1.100 peak 132 spectrum 1 weight .10000E+01 volume .10205E-02 ppm1 7.089 ppm2 5.349 CV
ASSI { 133}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
3.000 1.100 1.100 peak 133 spectrum 1 weight .10000E+01 volume .10933E-02 ppm1 9.13 ppm2 5.693 CV
ASSI { 134}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HA ))
2.100 .600 .600 peak 134 spectrum 1 weight .10000E+01 volume .82369E-02 ppm1 3.711 ppm2 4.842 CV
OR { 134}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HA ))
ASSI { 135}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 135 spectrum 1 weight .10000E+01 volume .14724E-02 ppm1 8.659 ppm2 4.844 CV
ASSI { 136}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
3.100 1.200 1.200 peak 136 spectrum 1 weight .10000E+01 volume .97315E-03 ppm1 8.646 ppm2 4.024 CV
ASSI { 137}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB3 ))
2.800 1.000 1.000 peak 137 spectrum 1 weight .10000E+01 volume .14688E-02 ppm1 8.66 ppm2 3.719 CV
OR { 137}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
ASSI { 138}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
2.900 1.100 1.100 peak 138 spectrum 1 weight .10000E+01 volume .12028E-02 ppm1 8.532 ppm2 5.432 CV
ASSI { 139}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
2.900 1.100 1.100 peak 139 spectrum 1 weight .10000E+01 volume .12282E-02 ppm1 8.522 ppm2 2.672 CV
ASSI { 141}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HA ))
2.700 .900 .900 peak 141 spectrum 1 weight .10000E+01 volume .20811E-02 ppm1 2.477 ppm2 5.07 CV
ASSI { 142}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HA ))
2.900 1.000 1.000 peak 142 spectrum 1 weight .10000E+01 volume .14433E-02 ppm1 2.62 ppm2 5.07 CV
ASSI { 143}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
2.800 1.000 1.000 peak 143 spectrum 1 weight .10000E+01 volume .16037E-02 ppm1 8.957 ppm2 5.078 CV
ASSI { 145}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB3 ))
2.600 .800 .800 peak 145 spectrum 1 weight .10000E+01 volume .25003E-02 ppm1 8.956 ppm2 2.627 CV
ASSI { 146}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
2.300 .700 .700 peak 146 spectrum 1 weight .10000E+01 volume .50296E-02 ppm1 2.22 ppm2 3.919 CV
ASSI { 148}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.300 .700 .700 peak 148 spectrum 1 weight .10000E+01 volume .48838E-02 ppm1 7.958 ppm2 3.998 CV
ASSI { 149}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HA ))
2.800 .900 .900 peak 149 spectrum 1 weight .10000E+01 volume .18041E-02 ppm1 0.607 ppm2 3.859 CV
ASSI { 151}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HA ))
2.700 .900 .900 peak 151 spectrum 1 weight .10000E+01 volume .18187E-02 ppm1 3.127 ppm2 5.084 CV
ASSI { 153}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 28 and name HB3 ))
2.200 .600 .600 peak 153 spectrum 1 weight .10000E+01 volume .71071E-02 ppm1 7.195 ppm2 3.137 CV
ASSI { 154}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 28 and name HB3 ))
3.400 1.400 1.400 peak 154 spectrum 1 weight .10000E+01 volume .53576E-03 ppm1 6.694 ppm2 3.138 CV
ASSI { 155}
( segid " " and resid 28 and name HE% )
( segid " " and resid 28 and name HD% )
2.000 .500 .500 peak 155 spectrum 1 weight .10000E+01 volume .11553E-01 ppm1 6.696 ppm2 7.207 CV
ASSI { 157}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.500 .800 .800 peak 157 spectrum 1 weight .10000E+01 volume .34479E-02 ppm1 8.357 ppm2 3.921 CV
ASSI { 158}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 46 and name HN ))
2.700 .900 .900 peak 158 spectrum 1 weight .10000E+01 volume .19535E-02 ppm1 8.854 ppm2 8.964 CV
ASSI { 159}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
2.200 .600 .600 peak 159 spectrum 1 weight .10000E+01 volume .74715E-02 ppm1 8.847 ppm2 5.455 CV
ASSI { 160}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 10 and name HA ))
2.700 .900 .900 peak 160 spectrum 1 weight .10000E+01 volume .21431E-02 ppm1 7.23 ppm2 4.685 CV
ASSI { 161}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 10 and name HB3 ))
2.600 .800 .800 peak 161 spectrum 1 weight .10000E+01 volume .28027E-02 ppm1 7.233 ppm2 3.183 CV
ASSI { 162}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 10 and name HB2 ))
2.600 .800 .800 peak 162 spectrum 1 weight .10000E+01 volume .25111E-02 ppm1 7.231 ppm2 2.884 CV
ASSI { 163}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.600 .800 .800 peak 163 spectrum 1 weight .10000E+01 volume .27262E-02 ppm1 7.944 ppm2 2.884 CV
ASSI { 164}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA2 ))
2.400 .700 .700 peak 164 spectrum 1 weight .10000E+01 volume .36811E-02 ppm1 8.286 ppm2 3.665 CV
ASSI { 165}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 165 spectrum 1 weight .10000E+01 volume .87472E-03 ppm1 0.506 ppm2 4.48 CV
ASSI { 167}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.600 .900 .900 peak 167 spectrum 1 weight .10000E+01 volume .23217E-02 ppm1 1.565 ppm2 4.484 CV
ASSI { 168}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 168 spectrum 1 weight .10000E+01 volume .91845E-03 ppm1 1.617 ppm2 4.486 CV
ASSI { 169}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HA ))
2.700 .900 .900 peak 169 spectrum 1 weight .10000E+01 volume .19754E-02 ppm1 1.319 ppm2 4.486 CV
OR { 169}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HA ))
ASSI { 173}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HA ))
3.300 1.400 1.400 peak 173 spectrum 1 weight .10000E+01 volume .55763E-03 ppm1 3.094 ppm2 4.357 CV
OR { 173}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HA ))
ASSI { 175}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
2.500 2.500 3.500 peak 175 spectrum 1 weight .10000E+01 volume .30615E-02 ppm1 7.822 ppm2 7.986 CV
ASSI { 176}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
2.600 .900 .900 peak 176 spectrum 1 weight .10000E+01 volume .23180E-02 ppm1 7.974 ppm2 4.303 CV
ASSI { 177}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.700 .900 .900 peak 177 spectrum 1 weight .10000E+01 volume .21431E-02 ppm1 7.821 ppm2 4.573 CV
ASSI { 178}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB3 ))
2.700 .900 .900 peak 178 spectrum 1 weight .10000E+01 volume .18697E-02 ppm1 7.82 ppm2 3.811 CV
ASSI { 179}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB2 ))
2.800 1.000 1.000 peak 179 spectrum 1 weight .10000E+01 volume .15891E-02 ppm1 7.823 ppm2 3.664 CV
ASSI { 180}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.900 2.900 3.100 peak 180 spectrum 1 weight .10000E+01 volume .12683E-02 ppm1 7.822 ppm2 3.276 CV
OR { 180}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 181}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.200 1.300 1.300 peak 181 spectrum 1 weight .10000E+01 volume .68884E-03 ppm1 9.023 ppm2 3.277 CV
OR { 181}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 184}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.700 .900 .900 peak 184 spectrum 1 weight .10000E+01 volume .19207E-02 ppm1 8.626 ppm2 4.859 CV
ASSI { 185}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 185 spectrum 1 weight .10000E+01 volume .11991E-02 ppm1 8.625 ppm2 3.154 CV
ASSI { 186}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB3 ))
2.800 1.000 1.000 peak 186 spectrum 1 weight .10000E+01 volume .17349E-02 ppm1 8.625 ppm2 2.977 CV
ASSI { 187}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HA ))
2.500 .800 .800 peak 187 spectrum 1 weight .10000E+01 volume .32000E-02 ppm1 1.882 ppm2 4.53 CV
ASSI { 188}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.700 .900 .900 peak 188 spectrum 1 weight .10000E+01 volume .20373E-02 ppm1 1.684 ppm2 4.528 CV
ASSI { 190}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HE3 ))
2.300 .700 .700 peak 190 spectrum 1 weight .10000E+01 volume .49567E-02 ppm1 1.645 ppm2 2.991 CV
OR { 190}
(( segid " " and resid 15 and name HD3 ))
(( segid " " and resid 15 and name HE3 ))
ASSI { 191}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HE3 ))
3.100 1.200 1.200 peak 191 spectrum 1 weight .10000E+01 volume .83098E-03 ppm1 1.644 ppm2 2.973 CV
OR { 191}
(( segid " " and resid 15 and name HD3 ))
(( segid " " and resid 15 and name HE2 ))
OR { 191}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HE2 ))
OR { 191}
(( segid " " and resid 15 and name HD3 ))
(( segid " " and resid 15 and name HE3 ))
ASSI { 192}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 192 spectrum 1 weight .10000E+01 volume .17349E-02 ppm1 1.404 ppm2 4.529 CV
OR { 192}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HA ))
ASSI { 194}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HA ))
2.400 .700 .700 peak 194 spectrum 1 weight .10000E+01 volume .37175E-02 ppm1 3.337 ppm2 5.691 CV
ASSI { 195}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HA ))
2.500 .800 .800 peak 195 spectrum 1 weight .10000E+01 volume .33239E-02 ppm1 3.394 ppm2 5.691 CV
ASSI { 196}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HD2 ))
2.900 1.000 1.000 peak 196 spectrum 1 weight .10000E+01 volume .13814E-02 ppm1 3.336 ppm2 7.047 CV
ASSI { 199}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 44 and name HN ))
2.700 .900 .900 peak 199 spectrum 1 weight .10000E+01 volume .19826E-02 ppm1 3.34 ppm2 8.666 CV
ASSI { 200}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HE1 ))
3.500 1.600 1.600 peak 200 spectrum 1 weight .10000E+01 volume .40820E-03 ppm1 3.337 ppm2 10.045 CV
ASSI { 201}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 201 spectrum 1 weight .10000E+01 volume .17421E-02 ppm1 1.424 ppm2 4.002 CV
ASSI { 203}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
2.300 .600 .600 peak 203 spectrum 1 weight .10000E+01 volume .57950E-02 ppm1 8.082 ppm2 1.929 CV
ASSI { 204}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.600 .800 .800 peak 204 spectrum 1 weight .10000E+01 volume .27845E-02 ppm1 8.084 ppm2 1.851 CV
ASSI { 205}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG3 ))
3.100 1.200 1.200 peak 205 spectrum 1 weight .10000E+01 volume .85649E-03 ppm1 8.085 ppm2 1.623 CV
ASSI { 207}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
2.400 2.400 3.600 peak 207 spectrum 1 weight .10000E+01 volume .43371E-02 ppm1 7.675 ppm2 1.938 CV
ASSI { 208}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB3 ))
2.700 .900 .900 peak 208 spectrum 1 weight .10000E+01 volume .21467E-02 ppm1 7.677 ppm2 1.893 CV
ASSI { 209}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HA ))
3.400 1.500 1.500 peak 209 spectrum 1 weight .10000E+01 volume .47381E-03 ppm1 1.697 ppm2 4.163 CV
ASSI { 210}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HA ))
3.000 1.100 1.100 peak 210 spectrum 1 weight .10000E+01 volume .11517E-02 ppm1 1.507 ppm2 4.167 CV
ASSI { 211}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD2 ))
3.300 1.400 1.400 peak 211 spectrum 1 weight .10000E+01 volume .57221E-03 ppm1 7.675 ppm2 1.692 CV
ASSI { 212}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG2 ))
3.000 1.100 1.100 peak 212 spectrum 1 weight .10000E+01 volume .10423E-02 ppm1 7.676 ppm2 1.524 CV
OR { 212}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 213}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 28 and name HA ))
2.500 .800 .800 peak 213 spectrum 1 weight .10000E+01 volume .35499E-02 ppm1 3.481 ppm2 5.086 CV
ASSI { 214}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 28 and name HA ))
2.300 .700 .700 peak 214 spectrum 1 weight .10000E+01 volume .50660E-02 ppm1 3.642 ppm2 5.086 CV
ASSI { 216}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HD2 ))
2.700 .900 .900 peak 216 spectrum 1 weight .10000E+01 volume .18660E-02 ppm1 1.972 ppm2 3.491 CV
ASSI { 217}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 29 and name HD2 ))
2.500 .800 .800 peak 217 spectrum 1 weight .10000E+01 volume .32911E-02 ppm1 2.031 ppm2 3.492 CV
ASSI { 218}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HD2 ))
2.900 1.000 1.000 peak 218 spectrum 1 weight .10000E+01 volume .13959E-02 ppm1 2.379 ppm2 3.492 CV
ASSI { 219}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 29 and name HD3 ))
2.600 .800 .800 peak 219 spectrum 1 weight .10000E+01 volume .27444E-02 ppm1 2.026 ppm2 3.651 CV
ASSI { 221}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HD3 ))
2.700 .900 .900 peak 221 spectrum 1 weight .10000E+01 volume .20993E-02 ppm1 1.974 ppm2 3.654 CV
ASSI { 222}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HD3 ))
3.200 1.300 1.300 peak 222 spectrum 1 weight .10000E+01 volume .75080E-03 ppm1 2.378 ppm2 3.662 CV
ASSI { 223}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB ))
2.400 .700 .700 peak 223 spectrum 1 weight .10000E+01 volume .37905E-02 ppm1 6.646 ppm2 3.547 CV
ASSI { 224}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.200 2.200 3.800 peak 224 spectrum 1 weight .10000E+01 volume .75080E-02 ppm1 8.05 ppm2 4.327 CV
ASSI { 227}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HA ))
2.600 .900 .900 peak 227 spectrum 1 weight .10000E+01 volume .22779E-02 ppm1 2.453 ppm2 5.104 CV
ASSI { 228}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.700 .900 .900 peak 228 spectrum 1 weight .10000E+01 volume .19826E-02 ppm1 8.65 ppm2 3.77 CV
ASSI { 229}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HA ))
3.000 1.100 1.100 peak 229 spectrum 1 weight .10000E+01 volume .10606E-02 ppm1 2.946 ppm2 5.431 CV
ASSI { 230}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HA ))
2.800 1.000 1.000 peak 230 spectrum 1 weight .10000E+01 volume .15818E-02 ppm1 2.659 ppm2 5.432 CV
ASSI { 231}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.500 .800 .800 peak 231 spectrum 1 weight .10000E+01 volume .32729E-02 ppm1 7.976 ppm2 1.806 CV
ASSI { 232}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB3 ))
2.800 1.000 1.000 peak 232 spectrum 1 weight .10000E+01 volume .17057E-02 ppm1 7.975 ppm2 1.917 CV
ASSI { 233}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HA ))
2.400 .700 .700 peak 233 spectrum 1 weight .10000E+01 volume .37175E-02 ppm1 1.917 ppm2 4.304 CV
ASSI { 234}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HA ))
2.600 .900 .900 peak 234 spectrum 1 weight .10000E+01 volume .23544E-02 ppm1 1.803 ppm2 4.304 CV
ASSI { 235}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HA ))
2.900 1.100 1.100 peak 235 spectrum 1 weight .10000E+01 volume .12938E-02 ppm1 1.469 ppm2 4.3 CV
ASSI { 236}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HA ))
2.800 1.000 1.000 peak 236 spectrum 1 weight .10000E+01 volume .17276E-02 ppm1 1.437 ppm2 4.3 CV
ASSI { 237}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HA ))
2.800 1.000 1.000 peak 237 spectrum 1 weight .10000E+01 volume .17203E-02 ppm1 3.271 ppm2 5.073 CV
OR { 237}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HA ))
ASSI { 238}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HA ))
2.600 .800 .800 peak 238 spectrum 1 weight .10000E+01 volume .25804E-02 ppm1 3.81 ppm2 4.575 CV
ASSI { 239}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HA ))
2.500 .800 .800 peak 239 spectrum 1 weight .10000E+01 volume .32984E-02 ppm1 3.645 ppm2 4.574 CV
ASSI { 240}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.500 .800 .800 peak 240 spectrum 1 weight .10000E+01 volume .30688E-02 ppm1 3.147 ppm2 4.861 CV
ASSI { 241}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HA ))
2.500 .800 .800 peak 241 spectrum 1 weight .10000E+01 volume .31563E-02 ppm1 2.97 ppm2 4.862 CV
ASSI { 242}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HG2 ))
2.900 1.000 1.000 peak 242 spectrum 1 weight .10000E+01 volume .14505E-02 ppm1 8.556 ppm2 1.611 CV
ASSI { 243}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.400 .700 .700 peak 243 spectrum 1 weight .10000E+01 volume .45558E-02 ppm1 8.037 ppm2 4.455 CV
ASSI { 246}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
2.700 2.700 3.300 peak 246 spectrum 1 weight .10000E+01 volume .21431E-02 ppm1 8.039 ppm2 8.565 CV
ASSI { 247}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
2.400 .700 .700 peak 247 spectrum 1 weight .10000E+01 volume .39727E-02 ppm1 8.04 ppm2 8.402 CV
ASSI { 248}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
2.600 .800 .800 peak 248 spectrum 1 weight .10000E+01 volume .25294E-02 ppm1 8.031 ppm2 6.572 CV
ASSI { 250}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 42 and name HA ))
2.500 .800 .800 peak 250 spectrum 1 weight .10000E+01 volume .35462E-02 ppm1 8.183 ppm2 5.348 CV
ASSI { 251}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
2.600 .900 .900 peak 251 spectrum 1 weight .10000E+01 volume .24091E-02 ppm1 7.082 ppm2 4.451 CV
ASSI { 252}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 42 and name HG2%)
2.900 1.000 1.000 peak 252 spectrum 1 weight .10000E+01 volume .13850E-02 ppm1 7.086 ppm2 1.077 CV
ASSI { 256}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 18 and name HG2%)
2.300 2.300 3.700 peak 256 spectrum 1 weight .10000E+01 volume .47745E-02 ppm1 4.126 ppm2 1.292 CV
ASSI { 257}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.200 1.300 1.300 peak 257 spectrum 1 weight .10000E+01 volume .72164E-03 ppm1 8.459 ppm2 3.164 CV
ASSI { 258}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB3 ))
2.800 1.000 1.000 peak 258 spectrum 1 weight .10000E+01 volume .15453E-02 ppm1 8.455 ppm2 2.65 CV
ASSI { 259}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
2.800 1.000 1.000 peak 259 spectrum 1 weight .10000E+01 volume .15198E-02 ppm1 8.459 ppm2 7.095 CV
ASSI { 260}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HA ))
2.700 .900 .900 peak 260 spectrum 1 weight .10000E+01 volume .18150E-02 ppm1 3.158 ppm2 4.453 CV
ASSI { 263}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.200 .600 .600 peak 263 spectrum 1 weight .10000E+01 volume .61959E-02 ppm1 7.528 ppm2 8.365 CV
ASSI { 266}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.300 .700 .700 peak 266 spectrum 1 weight .10000E+01 volume .55763E-02 ppm1 8.648 ppm2 5.168 CV
ASSI { 267}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.200 .600 .600 peak 267 spectrum 1 weight .10000E+01 volume .68884E-02 ppm1 8.286 ppm2 4.404 CV
ASSI { 268}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
2.800 1.000 1.000 peak 268 spectrum 1 weight .10000E+01 volume .16364E-02 ppm1 8.25 ppm2 1.29 CV
OR { 268}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 269}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG2 ))
3.200 1.200 1.200 peak 269 spectrum 1 weight .10000E+01 volume .79089E-03 ppm1 8.254 ppm2 1.209 CV
ASSI { 271}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HA ))
2.700 .900 .900 peak 271 spectrum 1 weight .10000E+01 volume .19535E-02 ppm1 1.191 ppm2 4.407 CV
ASSI { 272}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HA ))
2.600 .900 .900 peak 272 spectrum 1 weight .10000E+01 volume .23217E-02 ppm1 1.282 ppm2 4.407 CV
OR { 272}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
ASSI { 273}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HA ))
4.000 2.000 2.000 peak 273 spectrum 1 weight .10000E+01 volume .19135E-03 ppm1 1.111 ppm2 4.409 CV
ASSI { 274}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HD2 ))
3.500 1.500 1.500 peak 274 spectrum 1 weight .10000E+01 volume .44100E-03 ppm1 8.253 ppm2 2.775 CV
ASSI { 276}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.000 .500 .500 peak 276 spectrum 1 weight .10000E+01 volume .10933E-01 ppm1 8.182 ppm2 4.271 CV
ASSI { 277}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
3.500 1.500 1.500 peak 277 spectrum 1 weight .10000E+01 volume .44829E-03 ppm1 8.027 ppm2 7.687 CV
ASSI { 280}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB ))
3.100 1.200 1.200 peak 280 spectrum 1 weight .10000E+01 volume .86378E-03 ppm1 8.03 ppm2 4.049 CV
ASSI { 282}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
2.500 .800 .800 peak 282 spectrum 1 weight .10000E+01 volume .32110E-02 ppm1 7.925 ppm2 7.684 CV
ASSI { 283}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.500 .800 .800 peak 283 spectrum 1 weight .10000E+01 volume .29849E-02 ppm1 7.926 ppm2 8.038 CV
ASSI { 284}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 284 spectrum 1 weight .10000E+01 volume .16693E-02 ppm1 7.925 ppm2 3.997 CV
ASSI { 285}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 285 spectrum 1 weight .10000E+01 volume .17421E-02 ppm1 7.676 ppm2 3.998 CV
ASSI { 286}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 286 spectrum 1 weight .10000E+01 volume .87836E-03 ppm1 7.677 ppm2 4.5 CV
ASSI { 287}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB3 ))
2.700 .900 .900 peak 287 spectrum 1 weight .10000E+01 volume .20811E-02 ppm1 7.675 ppm2 2.943 CV
ASSI { 288}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.000 1.100 1.100 peak 288 spectrum 1 weight .10000E+01 volume .10861E-02 ppm1 7.675 ppm2 2.625 CV
ASSI { 290}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.400 .700 .700 peak 290 spectrum 1 weight .10000E+01 volume .37175E-02 ppm1 7.676 ppm2 7.878 CV
ASSI { 291}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
2.300 .700 .700 peak 291 spectrum 1 weight .10000E+01 volume .47016E-02 ppm1 7.87 ppm2 8.091 CV
ASSI { 293}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HA ))
3.100 1.200 1.200 peak 293 spectrum 1 weight .10000E+01 volume .86378E-03 ppm1 7.871 ppm2 4.125 CV
ASSI { 294}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
2.900 1.100 1.100 peak 294 spectrum 1 weight .10000E+01 volume .11918E-02 ppm1 7.868 ppm2 3.921 CV
ASSI { 295}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA ))
2.700 .900 .900 peak 295 spectrum 1 weight .10000E+01 volume .22597E-02 ppm1 8.085 ppm2 4.129 CV
ASSI { 297}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.300 .700 .700 peak 297 spectrum 1 weight .10000E+01 volume .50296E-02 ppm1 8.083 ppm2 7.965 CV
ASSI { 299}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 19 and name HA ))
2.700 .900 .900 peak 299 spectrum 1 weight .10000E+01 volume .18770E-02 ppm1 7.958 ppm2 4.158 CV
ASSI { 300}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.400 .700 .700 peak 300 spectrum 1 weight .10000E+01 volume .40091E-02 ppm1 7.958 ppm2 8.366 CV
ASSI { 302}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
3.000 1.100 1.100 peak 302 spectrum 1 weight .10000E+01 volume .11590E-02 ppm1 8.358 ppm2 4.125 CV
ASSI { 306}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.400 .700 .700 peak 306 spectrum 1 weight .10000E+01 volume .42278E-02 ppm1 7.766 ppm2 7.535 CV
ASSI { 308}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.100 .500 .500 peak 308 spectrum 1 weight .10000E+01 volume .99132E-02 ppm1 8.368 ppm2 4.355 CV
ASSI { 309}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
2.100 .500 .500 peak 309 spectrum 1 weight .10000E+01 volume .96586E-02 ppm1 8.754 ppm2 4.928 CV
ASSI { 310}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 13 and name HA ))
2.800 1.000 1.000 peak 310 spectrum 1 weight .10000E+01 volume .15125E-02 ppm1 5.339 ppm2 4.273 CV
ASSI { 311}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 13 and name HA ))
2.300 .700 .700 peak 311 spectrum 1 weight .10000E+01 volume .48474E-02 ppm1 1.068 ppm2 4.271 CV
ASSI { 312}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB ))
2.700 .900 .900 peak 312 spectrum 1 weight .10000E+01 volume .18879E-02 ppm1 5.34 ppm2 4.085 CV
ASSI { 313}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG ))
2.300 .700 .700 peak 313 spectrum 1 weight .10000E+01 volume .48109E-02 ppm1 8.226 ppm2 1.744 CV
ASSI { 314}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HD1%)
3.200 1.300 1.300 peak 314 spectrum 1 weight .10000E+01 volume .71799E-03 ppm1 8.22 ppm2 0.904 CV
ASSI { 315}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HD2%)
3.100 1.200 1.200 peak 315 spectrum 1 weight .10000E+01 volume .97315E-03 ppm1 8.22 ppm2 0.961 CV
ASSI { 316}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG3 ))
3.200 1.300 1.300 peak 316 spectrum 1 weight .10000E+01 volume .76537E-03 ppm1 8.221 ppm2 0.523 CV
OR { 316}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 318}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
2.700 2.700 3.300 peak 318 spectrum 1 weight .10000E+01 volume .21504E-02 ppm1 8.373 ppm2 0.531 CV
ASSI { 319}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.000 .500 .500 peak 319 spectrum 1 weight .10000E+01 volume .13302E-01 ppm1 8.224 ppm2 4.483 CV
ASSI { 320}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA1 ))
2.900 1.000 1.000 peak 320 spectrum 1 weight .10000E+01 volume .14105E-02 ppm1 8.394 ppm2 3.673 CV
ASSI { 321}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA2 ))
2.800 1.000 1.000 peak 321 spectrum 1 weight .10000E+01 volume .16437E-02 ppm1 8.393 ppm2 4.285 CV
ASSI { 323}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
2.600 .800 .800 peak 323 spectrum 1 weight .10000E+01 volume .25767E-02 ppm1 8.394 ppm2 8.955 CV
ASSI { 325}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 47 and name HA ))
2.900 2.900 3.100 peak 325 spectrum 1 weight .10000E+01 volume .14542E-02 ppm1 8.849 ppm2 5.077 CV
ASSI { 326}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
3.400 1.400 1.400 peak 326 spectrum 1 weight .10000E+01 volume .51390E-03 ppm1 9.218 ppm2 8.854 CV
ASSI { 327}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.200 .600 .600 peak 327 spectrum 1 weight .10000E+01 volume .67426E-02 ppm1 9.352 ppm2 5.099 CV
ASSI { 328}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 45 and name HA ))
3.500 1.500 1.500 peak 328 spectrum 1 weight .10000E+01 volume .42278E-03 ppm1 9.356 ppm2 5.434 CV
ASSI { 329}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 44 and name HN ))
2.800 1.000 1.000 peak 329 spectrum 1 weight .10000E+01 volume .17093E-02 ppm1 9.352 ppm2 8.672 CV
ASSI { 331}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
2.500 .800 .800 peak 331 spectrum 1 weight .10000E+01 volume .30761E-02 ppm1 9.128 ppm2 5.347 CV
ASSI { 332}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 332 spectrum 1 weight .10000E+01 volume .14505E-02 ppm1 9.131 ppm2 8.38 CV
ASSI { 333}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
2.200 .600 .600 peak 333 spectrum 1 weight .10000E+01 volume .60501E-02 ppm1 8.657 ppm2 5.691 CV
ASSI { 335}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB2 ))
2.300 .700 .700 peak 335 spectrum 1 weight .10000E+01 volume .53941E-02 ppm1 8.522 ppm2 3.719 CV
ASSI { 338}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HD% )
3.100 1.200 1.200 peak 338 spectrum 1 weight .10000E+01 volume .95857E-03 ppm1 7.944 ppm2 7.24 CV
ASSI { 341}
( segid " " and resid 27 and name HD2%)
( segid " " and resid 28 and name HE% )
3.200 1.300 1.300 peak 341 spectrum 1 weight .10000E+01 volume .70706E-03 ppm1 0.607 ppm2 6.703 CV
OR { 341}
(( segid " " and resid 27 and name HG ))
( segid " " and resid 28 and name HE% )
ASSI { 344}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 344 spectrum 1 weight .10000E+01 volume .14834E-02 ppm1 9.22 ppm2 3.922 CV
ASSI { 345}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA1 ))
2.500 .800 .800 peak 345 spectrum 1 weight .10000E+01 volume .30251E-02 ppm1 7.942 ppm2 4.075 CV
ASSI { 346}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA2 ))
2.600 .800 .800 peak 346 spectrum 1 weight .10000E+01 volume .28246E-02 ppm1 7.944 ppm2 3.664 CV
ASSI { 347}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 12 and name HD3 ))
3.100 1.200 1.200 peak 347 spectrum 1 weight .10000E+01 volume .82369E-03 ppm1 7.232 ppm2 1.336 CV
OR { 347}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 12 and name HD2 ))
ASSI { 348}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 29 and name HD3 ))
2.900 2.900 3.100 peak 348 spectrum 1 weight .10000E+01 volume .12209E-02 ppm1 7.201 ppm2 3.658 CV
ASSI { 349}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 29 and name HD2 ))
3.200 1.300 1.300 peak 349 spectrum 1 weight .10000E+01 volume .68884E-03 ppm1 7.194 ppm2 3.494 CV
ASSI { 350}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 24 and name HA ))
2.600 .900 .900 peak 350 spectrum 1 weight .10000E+01 volume .23253E-02 ppm1 7.201 ppm2 4.497 CV
ASSI { 351}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 28 and name HA ))
2.300 .700 .700 peak 351 spectrum 1 weight .10000E+01 volume .54669E-02 ppm1 7.201 ppm2 5.085 CV
ASSI { 352}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 352 spectrum 1 weight .10000E+01 volume .15600E-02 ppm1 7.193 ppm2 6.571 CV
ASSI { 353}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 33 and name HB2 ))
3.300 1.300 1.300 peak 353 spectrum 1 weight .10000E+01 volume .62688E-03 ppm1 7.191 ppm2 2.499 CV
ASSI { 354}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 33 and name HB3 ))
3.200 1.300 1.300 peak 354 spectrum 1 weight .10000E+01 volume .76173E-03 ppm1 7.2 ppm2 3.237 CV
ASSI { 356}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 8 and name HB2 ))
3.200 3.200 2.800 peak 356 spectrum 1 weight .10000E+01 volume .69249E-03 ppm1 7.192 ppm2 1.292 CV
OR { 356}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 8 and name HB3 ))
ASSI { 357}
( segid " " and resid 28 and name HD% )
( segid " " and resid 27 and name HD1%)
3.200 1.300 1.300 peak 357 spectrum 1 weight .10000E+01 volume .75444E-03 ppm1 7.2 ppm2 0.749 CV
ASSI { 358}
( segid " " and resid 28 and name HD% )
( segid " " and resid 27 and name HD2%)
3.300 1.400 1.400 peak 358 spectrum 1 weight .10000E+01 volume .59407E-03 ppm1 7.196 ppm2 0.608 CV
ASSI { 359}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 27 and name HG ))
3.400 1.400 1.400 peak 359 spectrum 1 weight .10000E+01 volume .53576E-03 ppm1 7.197 ppm2 0.608 CV
ASSI { 360}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB ))
2.400 .700 .700 peak 360 spectrum 1 weight .10000E+01 volume .40820E-02 ppm1 9.131 ppm2 4.085 CV
ASSI { 363}
(( segid " " and resid 11 and name HD3 ))
( segid " " and resid 42 and name HG2%)
2.900 2.900 3.100 peak 363 spectrum 1 weight .10000E+01 volume .13922E-02 ppm1 3.094 ppm2 1.078 CV
OR { 363}
(( segid " " and resid 11 and name HD2 ))
( segid " " and resid 42 and name HG2%)
ASSI { 364}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG ))
3.000 1.100 1.100 peak 364 spectrum 1 weight .10000E+01 volume .10715E-02 ppm1 8.03 ppm2 0.605 CV
ASSI { 365}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HD2%)
3.000 1.200 1.200 peak 365 spectrum 1 weight .10000E+01 volume .99501E-03 ppm1 8.03 ppm2 0.709 CV
ASSI { 366}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 44 and name HB2 ))
2.300 .700 .700 peak 366 spectrum 1 weight .10000E+01 volume .50660E-02 ppm1 1.106 ppm2 3.717 CV
OR { 366}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 44 and name HB3 ))
ASSI { 367}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 46 and name HA ))
3.000 1.100 1.100 peak 367 spectrum 1 weight .10000E+01 volume .11736E-02 ppm1 1.098 ppm2 5.067 CV
ASSI { 368}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 8 and name HD3 ))
3.100 1.200 1.200 peak 368 spectrum 1 weight .10000E+01 volume .80546E-03 ppm1 6.691 ppm2 2.735 CV
ASSI { 369}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 8 and name HD2 ))
3.200 1.300 1.300 peak 369 spectrum 1 weight .10000E+01 volume .69977E-03 ppm1 6.691 ppm2 2.79 CV
ASSI { 370}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 370 spectrum 1 weight .10000E+01 volume .82369E-03 ppm1 6.692 ppm2 4.501 CV
ASSI { 372}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 21 and name HG2 ))
3.100 3.100 2.900 peak 372 spectrum 1 weight .10000E+01 volume .85649E-03 ppm1 9.218 ppm2 2.227 CV
OR { 372}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 373}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.100 1.200 1.200 peak 373 spectrum 1 weight .10000E+01 volume .91845E-03 ppm1 8.754 ppm2 3.74 CV
ASSI { 374}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB3 ))
3.000 3.000 3.000 peak 374 spectrum 1 weight .10000E+01 volume .11372E-02 ppm1 8.755 ppm2 3.691 CV
ASSI { 375}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 375 spectrum 1 weight .10000E+01 volume .91116E-03 ppm1 7.191 ppm2 8.04 CV
ASSI { 376}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 8 and name HD2 ))
3.500 1.500 1.500 peak 376 spectrum 1 weight .10000E+01 volume .44100E-03 ppm1 7.196 ppm2 2.785 CV
ASSI { 377}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 8 and name HD3 ))
3.600 1.600 1.600 peak 377 spectrum 1 weight .10000E+01 volume .37539E-03 ppm1 7.193 ppm2 2.728 CV
ASSI { 378}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 20 and name HB3 ))
2.900 1.100 1.100 peak 378 spectrum 1 weight .10000E+01 volume .12865E-02 ppm1 7.038 ppm2 2.11 CV
ASSI { 379}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB3 ))
2.700 .900 .900 peak 379 spectrum 1 weight .10000E+01 volume .19826E-02 ppm1 8.155 ppm2 1.889 CV
ASSI { 380}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.400 .700 .700 peak 380 spectrum 1 weight .10000E+01 volume .43371E-02 ppm1 8.157 ppm2 1.697 CV
ASSI { 381}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 42 and name HG2%)
2.900 1.000 1.000 peak 381 spectrum 1 weight .10000E+01 volume .14068E-02 ppm1 8.184 ppm2 1.075 CV
ASSI { 383}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HD1%)
3.100 3.100 2.900 peak 383 spectrum 1 weight .10000E+01 volume .84191E-03 ppm1 8.185 ppm2 0.91 CV
ASSI { 385}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HG2%)
2.900 1.100 1.100 peak 385 spectrum 1 weight .10000E+01 volume .12719E-02 ppm1 7.766 ppm2 1.291 CV
ASSI { 386}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB ))
3.000 1.100 1.100 peak 386 spectrum 1 weight .10000E+01 volume .11626E-02 ppm1 7.765 ppm2 4.01 CV
ASSI { 387}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HD2%)
3.100 1.200 1.200 peak 387 spectrum 1 weight .10000E+01 volume .81640E-03 ppm1 7.767 ppm2 0.87 CV
ASSI { 388}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HD1%)
3.200 1.300 1.300 peak 388 spectrum 1 weight .10000E+01 volume .70342E-03 ppm1 7.764 ppm2 0.925 CV
ASSI { 389}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HB ))
2.200 .600 .600 peak 389 spectrum 1 weight .10000E+01 volume .60866E-02 ppm1 1.285 ppm2 4.009 CV
ASSI { 390}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 390 spectrum 1 weight .10000E+01 volume .68519E-03 ppm1 8.809 ppm2 7.773 CV
ASSI { 391}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB ))
2.900 1.000 1.000 peak 391 spectrum 1 weight .10000E+01 volume .14032E-02 ppm1 8.81 ppm2 4.009 CV
ASSI { 392}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 18 and name HG2%)
3.000 1.100 1.100 peak 392 spectrum 1 weight .10000E+01 volume .10861E-02 ppm1 8.809 ppm2 1.295 CV
ASSI { 393}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 42 and name HB ))
2.000 .500 .500 peak 393 spectrum 1 weight .10000E+01 volume .11335E-01 ppm1 1.068 ppm2 4.086 CV
ASSI { 394}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HB ))
2.200 .600 .600 peak 394 spectrum 1 weight .10000E+01 volume .77266E-02 ppm1 1.216 ppm2 4.05 CV
ASSI { 396}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD3 ))
2.600 .800 .800 peak 396 spectrum 1 weight .10000E+01 volume .25148E-02 ppm1 1.278 ppm2 2.731 CV
OR { 396}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD3 ))
ASSI { 397}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB3 ))
3.300 1.300 1.300 peak 397 spectrum 1 weight .10000E+01 volume .64875E-03 ppm1 8.286 ppm2 1.285 CV
OR { 397}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 398}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG2 ))
3.100 3.100 2.900 peak 398 spectrum 1 weight .10000E+01 volume .90387E-03 ppm1 8.287 ppm2 1.212 CV
ASSI { 401}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 7 and name HB ))
2.100 .500 .500 peak 401 spectrum 1 weight .10000E+01 volume .10023E-01 ppm1 1.103 ppm2 3.945 CV
ASSI { 404}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.100 .600 .600 peak 404 spectrum 1 weight .10000E+01 volume .80911E-02 ppm1 8.422 ppm2 4.683 CV
ASSI { 407}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 11 and name HA ))
2.400 2.400 3.600 peak 407 spectrum 1 weight .10000E+01 volume .40455E-02 ppm1 3.708 ppm2 4.35 CV
OR { 407}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 11 and name HA ))
ASSI { 409}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.700 .900 .900 peak 409 spectrum 1 weight .10000E+01 volume .22415E-02 ppm1 8.422 ppm2 1.63 CV
ASSI { 410}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HG3 ))
3.000 1.100 1.100 peak 410 spectrum 1 weight .10000E+01 volume .11408E-02 ppm1 8.424 ppm2 1.535 CV
OR { 410}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HG2 ))
ASSI { 412}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
2.600 .900 .900 peak 412 spectrum 1 weight .10000E+01 volume .22779E-02 ppm1 8.429 ppm2 1.947 CV
ASSI { 413}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HD2 ))
3.600 1.600 1.600 peak 413 spectrum 1 weight .10000E+01 volume .38998E-03 ppm1 8.422 ppm2 3.101 CV
OR { 413}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HD3 ))
ASSI { 414}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 42 and name HB ))
3.300 1.300 1.300 peak 414 spectrum 1 weight .10000E+01 volume .65968E-03 ppm1 8.373 ppm2 4.088 CV
ASSI { 415}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG3 ))
2.700 .900 .900 peak 415 spectrum 1 weight .10000E+01 volume .21394E-02 ppm1 8.373 ppm2 0.514 CV
OR { 415}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 416}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HD3 ))
2.700 .900 .900 peak 416 spectrum 1 weight .10000E+01 volume .18624E-02 ppm1 8.373 ppm2 1.334 CV
OR { 416}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 417}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.800 1.000 1.000 peak 417 spectrum 1 weight .10000E+01 volume .14943E-02 ppm1 8.367 ppm2 1.559 CV
ASSI { 419}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 42 and name HG2%)
3.300 1.400 1.400 peak 419 spectrum 1 weight .10000E+01 volume .60866E-03 ppm1 8.223 ppm2 1.078 CV
ASSI { 420}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 15 and name HA ))
3.000 3.000 3.000 peak 420 spectrum 1 weight .10000E+01 volume .10642E-02 ppm1 3.336 ppm2 4.531 CV
ASSI { 421}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 15 and name HA ))
3.200 1.300 1.300 peak 421 spectrum 1 weight .10000E+01 volume .77266E-03 ppm1 3.387 ppm2 4.53 CV
ASSI { 422}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG3 ))
2.500 .800 .800 peak 422 spectrum 1 weight .10000E+01 volume .31490E-02 ppm1 8.158 ppm2 1.414 CV
OR { 422}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 423}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.700 .900 .900 peak 423 spectrum 1 weight .10000E+01 volume .21504E-02 ppm1 7.527 ppm2 1.658 CV
ASSI { 424}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB3 ))
2.600 .900 .900 peak 424 spectrum 1 weight .10000E+01 volume .24237E-02 ppm1 7.528 ppm2 1.562 CV
ASSI { 425}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HD2%)
3.200 1.300 1.300 peak 425 spectrum 1 weight .10000E+01 volume .70342E-03 ppm1 7.528 ppm2 0.869 CV
ASSI { 426}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG3 ))
2.300 2.300 3.700 peak 426 spectrum 1 weight .10000E+01 volume .52483E-02 ppm1 7.527 ppm2 1.943 CV
ASSI { 428}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB3 ))
3.000 1.100 1.100 peak 428 spectrum 1 weight .10000E+01 volume .11590E-02 ppm1 8.356 ppm2 2.344 CV
ASSI { 429}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB3 ))
2.900 1.100 1.100 peak 429 spectrum 1 weight .10000E+01 volume .12865E-02 ppm1 8.356 ppm2 2.107 CV
ASSI { 430}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG2 ))
2.100 .500 .500 peak 430 spectrum 1 weight .10000E+01 volume .10496E-01 ppm1 8.357 ppm2 2.228 CV
ASSI { 431}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.600 .800 .800 peak 431 spectrum 1 weight .10000E+01 volume .26277E-02 ppm1 8.079 ppm2 2.133 CV
ASSI { 432}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.500 .800 .800 peak 432 spectrum 1 weight .10000E+01 volume .28975E-02 ppm1 8.082 ppm2 2.161 CV
ASSI { 434}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 23 and name HB2 ))
2.800 2.800 3.200 peak 434 spectrum 1 weight .10000E+01 volume .16183E-02 ppm1 0.748 ppm2 1.851 CV
ASSI { 435}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 23 and name HB2 ))
3.100 3.100 2.900 peak 435 spectrum 1 weight .10000E+01 volume .87472E-03 ppm1 0.608 ppm2 1.846 CV
OR { 435}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 436}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB3 ))
2.500 .800 .800 peak 436 spectrum 1 weight .10000E+01 volume .29741E-02 ppm1 7.865 ppm2 1.927 CV
ASSI { 437}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.600 2.600 3.400 peak 437 spectrum 1 weight .10000E+01 volume .22706E-02 ppm1 7.868 ppm2 1.853 CV
ASSI { 438}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 438 spectrum 1 weight .10000E+01 volume .80911E-03 ppm1 2.838 ppm2 4.498 CV
ASSI { 439}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 25 and name HA ))
3.400 1.500 1.500 peak 439 spectrum 1 weight .10000E+01 volume .47745E-03 ppm1 3.224 ppm2 4.17 CV
ASSI { 440}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 19 and name HA ))
3.400 1.500 1.500 peak 440 spectrum 1 weight .10000E+01 volume .48474E-03 ppm1 2.373 ppm2 4.164 CV
ASSI { 441}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HG2%)
2.600 .800 .800 peak 441 spectrum 1 weight .10000E+01 volume .28282E-02 ppm1 7.923 ppm2 1.225 CV
ASSI { 442}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
2.800 1.000 1.000 peak 442 spectrum 1 weight .10000E+01 volume .16547E-02 ppm1 7.923 ppm2 1.937 CV
ASSI { 443}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB3 ))
2.900 1.100 1.100 peak 443 spectrum 1 weight .10000E+01 volume .12136E-02 ppm1 7.927 ppm2 1.895 CV
ASSI { 444}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.500 .800 .800 peak 444 spectrum 1 weight .10000E+01 volume .33713E-02 ppm1 8.029 ppm2 1.368 CV
ASSI { 445}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 48 and name HG3 ))
2.500 .800 .800 peak 445 spectrum 1 weight .10000E+01 volume .28610E-02 ppm1 8.028 ppm2 1.452 CV
OR { 445}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 48 and name HG2 ))
ASSI { 446}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 26 and name HG2%)
3.200 1.300 1.300 peak 446 spectrum 1 weight .10000E+01 volume .68154E-03 ppm1 8.031 ppm2 1.226 CV
ASSI { 447}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HD1%)
3.200 1.200 1.200 peak 447 spectrum 1 weight .10000E+01 volume .79089E-03 ppm1 8.027 ppm2 0.757 CV
ASSI { 448}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HG ))
3.100 3.100 2.900 peak 448 spectrum 1 weight .10000E+01 volume .82004E-03 ppm1 6.563 ppm2 0.603 CV
ASSI { 450}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HD2%)
2.300 .700 .700 peak 450 spectrum 1 weight .10000E+01 volume .47381E-02 ppm1 3.848 ppm2 0.719 CV
ASSI { 452}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 8 and name HG2 ))
3.200 1.300 1.300 peak 452 spectrum 1 weight .10000E+01 volume .77996E-03 ppm1 6.696 ppm2 1.201 CV
ASSI { 453}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HD2 ))
3.200 3.200 2.800 peak 453 spectrum 1 weight .10000E+01 volume .71799E-03 ppm1 6.561 ppm2 3.49 CV
ASSI { 454}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
3.200 1.300 1.300 peak 454 spectrum 1 weight .10000E+01 volume .68154E-03 ppm1 6.561 ppm2 3.857 CV
ASSI { 455}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.000 1.100 1.100 peak 455 spectrum 1 weight .10000E+01 volume .11772E-02 ppm1 6.563 ppm2 1.367 CV
ASSI { 456}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HG2 ))
3.100 3.100 2.900 peak 456 spectrum 1 weight .10000E+01 volume .83462E-03 ppm1 8.555 ppm2 1.977 CV
ASSI { 461}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.400 .700 .700 peak 461 spectrum 1 weight .10000E+01 volume .43736E-02 ppm1 8.945 ppm2 4.002 CV
ASSI { 464}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.200 1.300 1.300 peak 464 spectrum 1 weight .10000E+01 volume .76902E-03 ppm1 8.65 ppm2 2.667 CV
ASSI { 465}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB3 ))
3.000 1.100 1.100 peak 465 spectrum 1 weight .10000E+01 volume .10460E-02 ppm1 8.647 ppm2 2.867 CV
ASSI { 466}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB3 ))
3.200 1.300 1.300 peak 466 spectrum 1 weight .10000E+01 volume .72528E-03 ppm1 8.85 ppm2 3.24 CV
ASSI { 468}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.700 2.700 3.300 peak 468 spectrum 1 weight .10000E+01 volume .19353E-02 ppm1 8.852 ppm2 2.511 CV
ASSI { 469}
(( segid " " and resid 32 and name HE22))
(( segid " " and resid 32 and name HG3 ))
2.800 1.000 1.000 peak 469 spectrum 1 weight .10000E+01 volume .17349E-02 ppm1 7.452 ppm2 2.259 CV
OR { 469}
(( segid " " and resid 32 and name HE22))
(( segid " " and resid 32 and name HG2 ))
ASSI { 470}
(( segid " " and resid 32 and name HE21))
(( segid " " and resid 32 and name HG3 ))
2.900 1.100 1.100 peak 470 spectrum 1 weight .10000E+01 volume .12829E-02 ppm1 6.724 ppm2 2.259 CV
OR { 470}
(( segid " " and resid 32 and name HE21))
(( segid " " and resid 32 and name HG2 ))
ASSI { 471}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB3 ))
3.100 1.200 1.200 peak 471 spectrum 1 weight .10000E+01 volume .83827E-03 ppm1 8.943 ppm2 2.16 CV
ASSI { 474}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 46 and name HB2 ))
2.800 1.000 1.000 peak 474 spectrum 1 weight .10000E+01 volume .15563E-02 ppm1 3.679 ppm2 2.486 CV
ASSI { 476}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 35 and name HB2 ))
2.700 .900 .900 peak 476 spectrum 1 weight .10000E+01 volume .18624E-02 ppm1 3.913 ppm2 2.459 CV
ASSI { 477}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
2.500 .800 .800 peak 477 spectrum 1 weight .10000E+01 volume .34551E-02 ppm1 3.915 ppm2 2.225 CV
OR { 477}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 478}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HG3 ))
2.600 .800 .800 peak 478 spectrum 1 weight .10000E+01 volume .28246E-02 ppm1 4.002 ppm2 2.223 CV
OR { 478}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 480}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HD2 ))
3.100 1.200 1.200 peak 480 spectrum 1 weight .10000E+01 volume .92210E-03 ppm1 3.994 ppm2 1.428 CV
ASSI { 482}
(( segid " " and resid 41 and name HD22))
(( segid " " and resid 41 and name HB2 ))
2.900 1.000 1.000 peak 482 spectrum 1 weight .10000E+01 volume .14214E-02 ppm1 7.443 ppm2 3.164 CV
ASSI { 483}
(( segid " " and resid 41 and name HD21))
(( segid " " and resid 41 and name HB2 ))
3.000 1.200 1.200 peak 483 spectrum 1 weight .10000E+01 volume .10023E-02 ppm1 6.783 ppm2 3.167 CV
ASSI { 484}
(( segid " " and resid 41 and name HD22))
(( segid " " and resid 41 and name HB3 ))
3.300 1.300 1.300 peak 484 spectrum 1 weight .10000E+01 volume .65968E-03 ppm1 7.443 ppm2 2.65 CV
ASSI { 485}
(( segid " " and resid 41 and name HD21))
(( segid " " and resid 41 and name HB3 ))
3.400 1.400 1.400 peak 485 spectrum 1 weight .10000E+01 volume .53576E-03 ppm1 6.782 ppm2 2.655 CV
ASSI { 490}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HB2 ))
2.400 2.400 3.600 peak 490 spectrum 1 weight .10000E+01 volume .36446E-02 ppm1 3.481 ppm2 2.045 CV
ASSI { 493}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 493 spectrum 1 weight .10000E+01 volume .15526E-02 ppm1 3.308 ppm2 3.92 CV
ASSI { 495}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 23 and name HD2 ))
2.500 .800 .800 peak 495 spectrum 1 weight .10000E+01 volume .31781E-02 ppm1 3.094 ppm2 1.423 CV
OR { 495}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 497}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 497 spectrum 1 weight .10000E+01 volume .16000E-02 ppm1 3.34 ppm2 5.169 CV
ASSI { 498}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 37 and name HA ))
3.000 1.100 1.100 peak 498 spectrum 1 weight .10000E+01 volume .11006E-02 ppm1 3.389 ppm2 5.169 CV
ASSI { 499}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HD2 ))
2.900 1.000 1.000 peak 499 spectrum 1 weight .10000E+01 volume .14287E-02 ppm1 3.392 ppm2 7.043 CV
ASSI { 501}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 37 and name HA ))
2.600 .900 .900 peak 501 spectrum 1 weight .10000E+01 volume .23435E-02 ppm1 5.688 ppm2 5.167 CV
ASSI { 502}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 35 and name HA ))
2.700 .900 .900 peak 502 spectrum 1 weight .10000E+01 volume .21285E-02 ppm1 5.422 ppm2 5.099 CV
ASSI { 503}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 47 and name HA ))
2.300 .600 .600 peak 503 spectrum 1 weight .10000E+01 volume .59407E-02 ppm1 5.448 ppm2 5.071 CV
ASSI { 507}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 35 and name HB3 ))
3.100 1.200 1.200 peak 507 spectrum 1 weight .10000E+01 volume .91845E-03 ppm1 2.218 ppm2 3.308 CV
ASSI { 508}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 21 and name HA ))
3.500 1.500 1.500 peak 508 spectrum 1 weight .10000E+01 volume .42643E-03 ppm1 2.622 ppm2 3.922 CV
ASSI { 511}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 48 and name HN ))
3.400 1.400 1.400 peak 511 spectrum 1 weight .10000E+01 volume .55398E-03 ppm1 5.445 ppm2 7.986 CV
ASSI { 515}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
2.000 .500 .500 peak 515 spectrum 1 weight .10000E+01 volume .12683E-01 ppm1 3.763 ppm2 4.025 CV
ASSI { 516}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HB3 ))
1.800 .400 .400 peak 516 spectrum 1 weight .10000E+01 volume .19899E-01 ppm1 2.474 ppm2 2.63 CV
ASSI { 517}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 15 and name HA ))
2.300 .700 .700 peak 517 spectrum 1 weight .10000E+01 volume .54305E-02 ppm1 10.035 ppm2 4.531 CV
ASSI { 518}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 43 and name HB3 ))
3.400 1.400 1.400 peak 518 spectrum 1 weight .10000E+01 volume .54305E-03 ppm1 10.035 ppm2 3.404 CV
ASSI { 521}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 27 and name HB2 ))
3.200 1.300 1.300 peak 521 spectrum 1 weight .10000E+01 volume .69613E-03 ppm1 6.697 ppm2 1.366 CV
ASSI { 522}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 8 and name HB2 ))
3.400 1.500 1.500 peak 522 spectrum 1 weight .10000E+01 volume .48474E-03 ppm1 6.696 ppm2 1.286 CV
OR { 522}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 8 and name HB3 ))
ASSI { 523}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 8 and name HG3 ))
3.400 1.400 1.400 peak 523 spectrum 1 weight .10000E+01 volume .52119E-03 ppm1 6.697 ppm2 1.11 CV
ASSI { 524}
( segid " " and resid 28 and name HE% )
( segid " " and resid 27 and name HD2%)
3.100 1.200 1.200 peak 524 spectrum 1 weight .10000E+01 volume .91481E-03 ppm1 6.696 ppm2 0.709 CV
ASSI { 525}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.400 1.400 1.400 peak 525 spectrum 1 weight .10000E+01 volume .54669E-03 ppm1 6.647 ppm2 2.289 CV
ASSI { 526}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 45 and name HB2 ))
3.400 1.500 1.500 peak 526 spectrum 1 weight .10000E+01 volume .48109E-03 ppm1 7.196 ppm2 2.672 CV
ASSI { 529}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HG2%)
2.800 1.000 1.000 peak 529 spectrum 1 weight .10000E+01 volume .16073E-02 ppm1 6.648 ppm2 1.184 CV
ASSI { 532}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.300 1.300 1.300 peak 532 spectrum 1 weight .10000E+01 volume .62688E-03 ppm1 6.647 ppm2 2.862 CV
ASSI { 534}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 17 and name HB ))
2.900 1.000 1.000 peak 534 spectrum 1 weight .10000E+01 volume .13704E-02 ppm1 10.035 ppm2 3.548 CV
ASSI { 535}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 15 and name HB3 ))
2.600 2.600 3.400 peak 535 spectrum 1 weight .10000E+01 volume .24528E-02 ppm1 10.035 ppm2 1.89 CV
ASSI { 536}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 15 and name HG2 ))
3.300 1.400 1.400 peak 536 spectrum 1 weight .10000E+01 volume .58314E-03 ppm1 10.035 ppm2 1.413 CV
OR { 536}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 538}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 19 and name HA ))
2.300 .700 .700 peak 538 spectrum 1 weight .10000E+01 volume .52483E-02 ppm1 1.285 ppm2 4.137 CV
ASSI { 539}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 22 and name HG3 ))
2.900 1.000 1.000 peak 539 spectrum 1 weight .10000E+01 volume .14433E-02 ppm1 1.287 ppm2 2.388 CV
ASSI { 540}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 22 and name HG2 ))
3.000 1.100 1.100 peak 540 spectrum 1 weight .10000E+01 volume .11445E-02 ppm1 1.285 ppm2 2.302 CV
ASSI { 541}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 22 and name HG3 ))
2.900 2.900 3.100 peak 541 spectrum 1 weight .10000E+01 volume .14542E-02 ppm1 1.219 ppm2 2.385 CV
ASSI { 542}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 22 and name HG2 ))
3.000 3.000 3.000 peak 542 spectrum 1 weight .10000E+01 volume .10898E-02 ppm1 1.219 ppm2 2.302 CV
ASSI { 543}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 22 and name HB2 ))
3.000 3.000 3.000 peak 543 spectrum 1 weight .10000E+01 volume .11226E-02 ppm1 1.216 ppm2 2.135 CV
ASSI { 544}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 22 and name HB2 ))
2.800 1.000 1.000 peak 544 spectrum 1 weight .10000E+01 volume .14870E-02 ppm1 1.29 ppm2 2.134 CV
ASSI { 545}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 21 and name HG2 ))
3.100 1.200 1.200 peak 545 spectrum 1 weight .10000E+01 volume .90387E-03 ppm1 1.285 ppm2 2.217 CV
OR { 545}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 21 and name HG3 ))
ASSI { 548}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 45 and name HB2 ))
3.300 1.400 1.400 peak 548 spectrum 1 weight .10000E+01 volume .59407E-03 ppm1 6.69 ppm2 2.671 CV
ASSI { 549}
( segid " " and resid 28 and name HE% )
( segid " " and resid 27 and name HD1%)
2.900 1.000 1.000 peak 549 spectrum 1 weight .10000E+01 volume .14505E-02 ppm1 6.697 ppm2 0.748 CV
ASSI { 551}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 23 and name HB2 ))
2.600 2.600 3.400 peak 551 spectrum 1 weight .10000E+01 volume .27153E-02 ppm1 0.867 ppm2 1.845 CV
ASSI { 553}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 13 and name HG ))
2.400 .700 .700 peak 553 spectrum 1 weight .10000E+01 volume .42643E-02 ppm1 0.951 ppm2 1.738 CV
ASSI { 554}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 23 and name HB2 ))
2.700 .900 .900 peak 554 spectrum 1 weight .10000E+01 volume .18369E-02 ppm1 0.895 ppm2 1.839 CV
ASSI { 557}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 13 and name HB2 ))
2.900 2.900 3.100 peak 557 spectrum 1 weight .10000E+01 volume .14615E-02 ppm1 10.035 ppm2 1.699 CV
ASSI { 558}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 17 and name HB ))
3.200 3.200 2.800 peak 558 spectrum 1 weight .10000E+01 volume .67426E-03 ppm1 7.036 ppm2 3.546 CV
ASSI { 559}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 44 and name HA ))
3.200 1.300 1.300 peak 559 spectrum 1 weight .10000E+01 volume .71799E-03 ppm1 7.039 ppm2 4.841 CV
ASSI { 560}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 44 and name HN ))
3.300 1.300 1.300 peak 560 spectrum 1 weight .10000E+01 volume .64145E-03 ppm1 7.039 ppm2 8.665 CV
ASSI { 565}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 17 and name HB ))
3.000 1.100 1.100 peak 565 spectrum 1 weight .10000E+01 volume .11481E-02 ppm1 2.1 ppm2 3.55 CV
ASSI { 566}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 17 and name HB ))
3.000 3.000 3.000 peak 566 spectrum 1 weight .10000E+01 volume .11481E-02 ppm1 1.946 ppm2 3.553 CV
ASSI { 571}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.100 1.200 1.200 peak 571 spectrum 1 weight .10000E+01 volume .96217E-03 ppm1 8.273 ppm2 3.149 CV
ASSI { 574}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HD2 ))
3.200 1.300 1.300 peak 574 spectrum 1 weight .10000E+01 volume .77266E-03 ppm1 8.269 ppm2 1.336 CV
OR { 574}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HD3 ))
ASSI { 575}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 575 spectrum 1 weight .10000E+01 volume .11372E-02 ppm1 7.528 ppm2 6.657 CV
ASSI { 576}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB3 ))
2.800 1.000 1.000 peak 576 spectrum 1 weight .10000E+01 volume .17750E-02 ppm1 8.432 ppm2 4.019 CV
ASSI { 577}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.200 1.300 1.300 peak 577 spectrum 1 weight .10000E+01 volume .72164E-03 ppm1 8.429 ppm2 3.771 CV
ASSI { 578}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG3 ))
2.800 1.000 1.000 peak 578 spectrum 1 weight .10000E+01 volume .17457E-02 ppm1 8.357 ppm2 1.946 CV
ASSI { 579}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG3 ))
2.500 .800 .800 peak 579 spectrum 1 weight .10000E+01 volume .34406E-02 ppm1 7.958 ppm2 2.244 CV
ASSI { 580}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG3 ))
2.400 .700 .700 peak 580 spectrum 1 weight .10000E+01 volume .41913E-02 ppm1 7.958 ppm2 2.221 CV
OR { 580}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 582}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB3 ))
3.100 1.200 1.200 peak 582 spectrum 1 weight .10000E+01 volume .88200E-03 ppm1 9.016 ppm2 2.627 CV
ASSI { 583}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB2 ))
3.400 1.500 1.500 peak 583 spectrum 1 weight .10000E+01 volume .47016E-03 ppm1 9.019 ppm2 2.482 CV
ASSI { 584}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 6 and name HN ))
3.200 1.300 1.300 peak 584 spectrum 1 weight .10000E+01 volume .72528E-03 ppm1 9.024 ppm2 8.641 CV
ASSI { 587}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
2.700 .900 .900 peak 587 spectrum 1 weight .10000E+01 volume .18406E-02 ppm1 7.822 ppm2 4.301 CV
ASSI { 588}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
3.000 1.100 1.100 peak 588 spectrum 1 weight .10000E+01 volume .11335E-02 ppm1 7.819 ppm2 1.804 CV
ASSI { 589}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 32 and name HB3 ))
3.000 3.000 3.000 peak 589 spectrum 1 weight .10000E+01 volume .10533E-02 ppm1 7.821 ppm2 2.161 CV
ASSI { 590}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.500 .800 .800 peak 590 spectrum 1 weight .10000E+01 volume .29194E-02 ppm1 7.979 ppm2 2.157 CV
ASSI { 591}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB3 ))
3.100 1.200 1.200 peak 591 spectrum 1 weight .10000E+01 volume .83462E-03 ppm1 7.822 ppm2 1.915 CV
ASSI { 594}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 6 and name HA ))
3.100 1.200 1.200 peak 594 spectrum 1 weight .10000E+01 volume .82369E-03 ppm1 9.026 ppm2 4.858 CV
ASSI { 595}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 6 and name HB3 ))
2.600 .900 .900 peak 595 spectrum 1 weight .10000E+01 volume .24820E-02 ppm1 9.024 ppm2 2.973 CV
ASSI { 596}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 48 and name HA ))
3.100 3.100 2.900 peak 596 spectrum 1 weight .10000E+01 volume .87107E-03 ppm1 3.802 ppm2 4.291 CV
ASSI { 597}
(( segid " " and resid 31 and name HA1 ))
(( segid " " and resid 31 and name HA2 ))
2.100 .600 .600 peak 597 spectrum 1 weight .10000E+01 volume .89658E-02 ppm1 3.664 ppm2 4.291 CV
ASSI { 598}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.900 1.000 1.000 peak 598 spectrum 1 weight .10000E+01 volume .13522E-02 ppm1 7.976 ppm2 3.281 CV
OR { 598}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 601}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 23 and name HG2 ))
3.000 3.000 3.000 peak 601 spectrum 1 weight .10000E+01 volume .99132E-03 ppm1 0.745 ppm2 1.555 CV
ASSI { 606}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HB2 ))
2.500 .800 .800 peak 606 spectrum 1 weight .10000E+01 volume .31927E-02 ppm1 3.104 ppm2 1.694 CV
OR { 606}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 607}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HB3 ))
2.300 .700 .700 peak 607 spectrum 1 weight .10000E+01 volume .51025E-02 ppm1 3.108 ppm2 1.62 CV
OR { 607}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 608}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HB3 ))
2.600 2.600 3.400 peak 608 spectrum 1 weight .10000E+01 volume .28100E-02 ppm1 3.199 ppm2 1.613 CV
ASSI { 610}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HG3 ))
1.800 .400 .400 peak 610 spectrum 1 weight .10000E+01 volume .24893E-01 ppm1 2.53 ppm2 2.461 CV
ASSI { 611}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG2 ))
1.800 .400 .400 peak 611 spectrum 1 weight .10000E+01 volume .27007E-01 ppm1 2.34 ppm2 2.234 CV
OR { 611}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 612}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HG2 ))
1.600 .300 .600 peak 612 spectrum 1 weight .10000E+01 volume .49567E-01 ppm1 2.374 ppm2 2.302 CV
ASSI { 613}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG2 ))
1.900 1.900 4.100 peak 613 spectrum 1 weight .10000E+01 volume .14542E-01 ppm1 2.376 ppm2 1.959 CV
ASSI { 614}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HB2 ))
1.900 .400 .400 peak 614 spectrum 1 weight .10000E+01 volume .18369E-01 ppm1 2.207 ppm2 1.949 CV
ASSI { 615}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG3 ))
2.300 .700 .700 peak 615 spectrum 1 weight .10000E+01 volume .53576E-02 ppm1 2.28 ppm2 1.945 CV
ASSI { 616}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HB3 ))
2.200 .600 .600 peak 616 spectrum 1 weight .10000E+01 volume .73258E-02 ppm1 3.153 ppm2 2.654 CV
ASSI { 617}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HB2 ))
1.900 .500 .500 peak 617 spectrum 1 weight .10000E+01 volume .14433E-01 ppm1 3.23 ppm2 2.507 CV
ASSI { 618}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HB2 ))
2.000 .500 .500 peak 618 spectrum 1 weight .10000E+01 volume .13850E-01 ppm1 3.304 ppm2 2.46 CV
ASSI { 619}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HB2 ))
1.800 .400 .400 peak 619 spectrum 1 weight .10000E+01 volume .20519E-01 ppm1 2.861 ppm2 2.666 CV
ASSI { 622}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
2.100 .500 .500 peak 622 spectrum 1 weight .10000E+01 volume .97675E-02 ppm1 2.623 ppm2 2.943 CV
ASSI { 626}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HB2 ))
1.700 .400 .500 peak 626 spectrum 1 weight .10000E+01 volume .28866E-01 ppm1 2.967 ppm2 3.151 CV
ASSI { 627}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 33 and name HB3 ))
2.200 2.200 3.800 peak 627 spectrum 1 weight .10000E+01 volume .65968E-02 ppm1 3.022 ppm2 3.25 CV
ASSI { 629}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HG2 ))
2.800 1.000 1.000 peak 629 spectrum 1 weight .10000E+01 volume .15745E-02 ppm1 2.194 ppm2 2.538 CV
ASSI { 630}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HG3 ))
2.600 .800 .800 peak 630 spectrum 1 weight .10000E+01 volume .25622E-02 ppm1 2.194 ppm2 2.452 CV
ASSI { 631}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
1.700 .400 .500 peak 631 spectrum 1 weight .10000E+01 volume .29485E-01 ppm1 2.22 ppm2 2.345 CV
ASSI { 632}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG3 ))
2.300 .600 .600 peak 632 spectrum 1 weight .10000E+01 volume .56857E-02 ppm1 2.129 ppm2 2.379 CV
ASSI { 634}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
1.800 .400 .400 peak 634 spectrum 1 weight .10000E+01 volume .21795E-01 ppm1 2.134 ppm2 2.299 CV
ASSI { 636}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HG2 ))
1.700 1.700 4.300 peak 636 spectrum 1 weight .10000E+01 volume .35609E-01 ppm1 2.153 ppm2 2.258 CV
OR { 636}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HG3 ))
ASSI { 640}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB3 ))
1.900 1.900 4.100 peak 640 spectrum 1 weight .10000E+01 volume .15453E-01 ppm1 1.941 ppm2 2.107 CV
ASSI { 641}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB3 ))
1.900 .400 .400 peak 641 spectrum 1 weight .10000E+01 volume .18806E-01 ppm1 1.759 ppm2 2.035 CV
ASSI { 642}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HB3 ))
2.300 .600 .600 peak 642 spectrum 1 weight .10000E+01 volume .58314E-02 ppm1 1.587 ppm2 2.031 CV
OR { 642}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HB3 ))
ASSI { 644}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HB3 ))
2.400 .700 .700 peak 644 spectrum 1 weight .10000E+01 volume .36811E-02 ppm1 1.401 ppm2 1.879 CV
OR { 644}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 645}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HB2 ))
2.500 .800 .800 peak 645 spectrum 1 weight .10000E+01 volume .33677E-02 ppm1 1.442 ppm2 1.853 CV
ASSI { 647}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
2.500 .800 .800 peak 647 spectrum 1 weight .10000E+01 volume .31125E-02 ppm1 1.548 ppm2 1.84 CV
ASSI { 648}
(( segid " " and resid 4 and name HD2 ))
(( segid " " and resid 4 and name HB2 ))
1.700 .400 .500 peak 648 spectrum 1 weight .10000E+01 volume .29886E-01 ppm1 1.685 ppm2 1.805 CV
OR { 648}
(( segid " " and resid 4 and name HD3 ))
(( segid " " and resid 4 and name HB2 ))
OR { 648}
(( segid " " and resid 4 and name HD2 ))
(( segid " " and resid 4 and name HB3 ))
OR { 648}
(( segid " " and resid 4 and name HD3 ))
(( segid " " and resid 4 and name HB3 ))
ASSI { 649}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB3 ))
2.700 .900 .900 peak 649 spectrum 1 weight .10000E+01 volume .19025E-02 ppm1 1.55 ppm2 1.924 CV
ASSI { 650}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HB2 ))
2.100 .600 .600 peak 650 spectrum 1 weight .10000E+01 volume .80182E-02 ppm1 0.513 ppm2 1.566 CV
OR { 650}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 652}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HB2 ))
2.200 2.200 3.800 peak 652 spectrum 1 weight .10000E+01 volume .71071E-02 ppm1 0.608 ppm2 1.366 CV
ASSI { 653}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HB2 ))
2.400 .700 .700 peak 653 spectrum 1 weight .10000E+01 volume .44829E-02 ppm1 0.604 ppm2 1.369 CV
OR { 653}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 27 and name HB2 ))
ASSI { 654}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 27 and name HB2 ))
2.400 .700 .700 peak 654 spectrum 1 weight .10000E+01 volume .45193E-02 ppm1 0.747 ppm2 1.367 CV
ASSI { 656}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HD2 ))
2.400 .700 .700 peak 656 spectrum 1 weight .10000E+01 volume .36410E-02 ppm1 1.522 ppm2 3.097 CV
OR { 656}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HD3 ))
OR { 656}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HD3 ))
ASSI { 662}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 36 and name HB2 ))
2.900 1.000 1.000 peak 662 spectrum 1 weight .10000E+01 volume .13376E-02 ppm1 2.482 ppm2 3.743 CV
ASSI { 664}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 36 and name HB3 ))
3.100 1.200 1.200 peak 664 spectrum 1 weight .10000E+01 volume .89294E-03 ppm1 2.626 ppm2 3.685 CV
ASSI { 665}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 36 and name HB2 ))
3.200 1.300 1.300 peak 665 spectrum 1 weight .10000E+01 volume .68154E-03 ppm1 2.627 ppm2 3.745 CV
ASSI { 667}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 22 and name HA ))
2.700 .900 .900 peak 667 spectrum 1 weight .10000E+01 volume .18879E-02 ppm1 1.876 ppm2 4.004 CV
ASSI { 668}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 22 and name HA ))
3.000 1.100 1.100 peak 668 spectrum 1 weight .10000E+01 volume .10788E-02 ppm1 1.69 ppm2 4.001 CV
OR { 668}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 22 and name HA ))
ASSI { 669}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 34 and name HA ))
3.000 1.100 1.100 peak 669 spectrum 1 weight .10000E+01 volume .10788E-02 ppm1 1.688 ppm2 4.613 CV
OR { 669}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 34 and name HA ))
ASSI { 671}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 671 spectrum 1 weight .10000E+01 volume .17713E-02 ppm1 1.841 ppm2 4.128 CV
ASSI { 672}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 20 and name HA ))
3.100 3.100 2.900 peak 672 spectrum 1 weight .10000E+01 volume .83462E-03 ppm1 1.745 ppm2 4.133 CV
ASSI { 673}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 17 and name HN ))
2.600 .800 .800 peak 673 spectrum 1 weight .10000E+01 volume .28136E-02 ppm1 1.943 ppm2 6.656 CV
ASSI { 674}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 674 spectrum 1 weight .10000E+01 volume .15344E-02 ppm1 2.101 ppm2 6.656 CV
ASSI { 683}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
2.600 .800 .800 peak 683 spectrum 1 weight .10000E+01 volume .26861E-02 ppm1 2.78 ppm2 1.292 CV
OR { 683}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 684}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HD3 ))
2.800 .900 .900 peak 684 spectrum 1 weight .10000E+01 volume .17969E-02 ppm1 2.954 ppm2 1.335 CV
OR { 684}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HD2 ))
OR { 684}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HD2 ))
OR { 684}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HD3 ))
ASSI { 688}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HB2 ))
1.900 .400 .400 peak 688 spectrum 1 weight .10000E+01 volume .18296E-01 ppm1 1.912 ppm2 1.803 CV
ASSI { 690}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG2 ))
1.900 .400 .400 peak 690 spectrum 1 weight .10000E+01 volume .18004E-01 ppm1 1.41 ppm2 1.548 CV
OR { 690}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 692}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG3 ))
2.600 .800 .800 peak 692 spectrum 1 weight .10000E+01 volume .26752E-02 ppm1 1.324 ppm2 0.523 CV
OR { 692}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HG2 ))
OR { 692}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 695}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.700 .900 .900 peak 695 spectrum 1 weight .10000E+01 volume .19098E-02 ppm1 7.871 ppm2 4.001 CV
ASSI { 696}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.000 2.000 4.000 peak 696 spectrum 1 weight .10000E+01 volume .11335E-01 ppm1 7.765 ppm2 4.633 CV
ASSI { 697}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 20 and name HA ))
3.200 1.200 1.200 peak 697 spectrum 1 weight .10000E+01 volume .79453E-03 ppm1 8.226 ppm2 4.131 CV
ASSI { 698}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB3 ))
2.700 .900 .900 peak 698 spectrum 1 weight .10000E+01 volume .21102E-02 ppm1 8.184 ppm2 1.606 CV
ASSI { 702}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HB3 ))
2.400 .700 .700 peak 702 spectrum 1 weight .10000E+01 volume .38998E-02 ppm1 2.03 ppm2 2.384 CV
ASSI { 703}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HG2 ))
2.600 .900 .900 peak 703 spectrum 1 weight .10000E+01 volume .24711E-02 ppm1 1.944 ppm2 2.538 CV
ASSI { 707}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 43 and name HE1 ))
2.600 2.600 3.400 peak 707 spectrum 1 weight .10000E+01 volume .24601E-02 ppm1 3.018 ppm2 10.045 CV
ASSI { 712}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.200 1.200 1.200 peak 712 spectrum 1 weight .10000E+01 volume .79818E-03 ppm1 3.169 ppm2 8.438 CV
ASSI { 714}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 43 and name HN ))
2.800 1.000 1.000 peak 714 spectrum 1 weight .10000E+01 volume .16802E-02 ppm1 1.068 ppm2 9.131 CV
ASSI { 716}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 40 and name HB2 ))
2.900 2.900 3.100 peak 716 spectrum 1 weight .10000E+01 volume .12100E-02 ppm1 1.067 ppm2 1.95 CV
ASSI { 717}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 40 and name HB3 ))
3.100 3.100 2.900 peak 717 spectrum 1 weight .10000E+01 volume .86743E-03 ppm1 1.071 ppm2 2.203 CV
ASSI { 722}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HE3 ))
2.900 1.100 1.100 peak 722 spectrum 1 weight .10000E+01 volume .12136E-02 ppm1 1.409 ppm2 2.99 CV
OR { 722}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HE3 ))
ASSI { 724}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HB2 ))
2.300 .700 .700 peak 724 spectrum 1 weight .10000E+01 volume .54669E-02 ppm1 1.316 ppm2 1.567 CV
OR { 724}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 725}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 30 and name HA ))
2.900 2.900 3.100 peak 725 spectrum 1 weight .10000E+01 volume .12829E-02 ppm1 3.234 ppm2 4.454 CV
ASSI { 728}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 11 and name HG3 ))
3.100 3.100 2.900 peak 728 spectrum 1 weight .10000E+01 volume .80911E-03 ppm1 3.711 ppm2 1.531 CV
OR { 728}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 11 and name HG3 ))
OR { 728}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 11 and name HG2 ))
ASSI { 729}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
3.000 1.100 1.100 peak 729 spectrum 1 weight .10000E+01 volume .10132E-02 ppm1 8.178 ppm2 3.036 CV
ASSI { 732}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB2 ))
3.200 1.300 1.300 peak 732 spectrum 1 weight .10000E+01 volume .77630E-03 ppm1 8.175 ppm2 3.657 CV
ASSI { 733}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB3 ))
3.100 3.100 2.900 peak 733 spectrum 1 weight .10000E+01 volume .84556E-03 ppm1 8.174 ppm2 3.814 CV
ASSI { 734}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.100 .600 .600 peak 734 spectrum 1 weight .10000E+01 volume .80911E-02 ppm1 8.178 ppm2 4.574 CV
ASSI { 735}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
2.700 .900 .900 peak 735 spectrum 1 weight .10000E+01 volume .21139E-02 ppm1 8.181 ppm2 4.325 CV
ASSI { 738}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HD2 ))
3.000 1.100 1.100 peak 738 spectrum 1 weight .10000E+01 volume .11845E-02 ppm1 8.625 ppm2 1.694 CV
OR { 738}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HD3 ))
ASSI { 739}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HD2 ))
2.500 .800 .800 peak 739 spectrum 1 weight .10000E+01 volume .28866E-02 ppm1 8.051 ppm2 1.695 CV
OR { 739}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HD3 ))
ASSI { 740}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG3 ))
3.200 1.300 1.300 peak 740 spectrum 1 weight .10000E+01 volume .71799E-03 ppm1 8.048 ppm2 1.515 CV
OR { 740}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG2 ))
ASSI { 741}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.700 .900 .900 peak 741 spectrum 1 weight .10000E+01 volume .18733E-02 ppm1 8.05 ppm2 1.811 CV
OR { 741}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB3 ))
ASSI { 742}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.300 1.300 1.300 peak 742 spectrum 1 weight .10000E+01 volume .65968E-03 ppm1 8.111 ppm2 3.031 CV
ASSI { 743}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.300 1.300 1.300 peak 743 spectrum 1 weight .10000E+01 volume .63417E-03 ppm1 8.108 ppm2 2.857 CV
ASSI { 744}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HA ))
2.900 1.000 1.000 peak 744 spectrum 1 weight .10000E+01 volume .13558E-02 ppm1 8.108 ppm2 4.15 CV
ASSI { 749}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 10 and name HA ))
2.800 1.000 1.000 peak 749 spectrum 1 weight .10000E+01 volume .14761E-02 ppm1 3.714 ppm2 4.684 CV
OR { 749}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 10 and name HA ))
ASSI { 751}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 4 and name HG2 ))
2.100 .500 .500 peak 751 spectrum 1 weight .10000E+01 volume .99861E-02 ppm1 1.611 ppm2 1.516 CV
OR { 751}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 4 and name HG3 ))
OR { 751}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 4 and name HG2 ))
ASSI { 753}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HB2 ))
2.400 .700 .700 peak 753 spectrum 1 weight .10000E+01 volume .42643E-02 ppm1 1.397 ppm2 1.684 CV
OR { 753}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 755}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 23 and name HD3 ))
2.600 2.600 3.400 peak 755 spectrum 1 weight .10000E+01 volume .24091E-02 ppm1 3.096 ppm2 1.402 CV
OR { 755}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 756}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 23 and name HG3 ))
3.100 1.200 1.200 peak 756 spectrum 1 weight .10000E+01 volume .94031E-03 ppm1 2.781 ppm2 1.607 CV
ASSI { 757}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 23 and name HG3 ))
3.100 1.200 1.200 peak 757 spectrum 1 weight .10000E+01 volume .90022E-03 ppm1 2.73 ppm2 1.604 CV
ASSI { 760}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HG2%)
3.000 1.100 1.100 peak 760 spectrum 1 weight .10000E+01 volume .11372E-02 ppm1 8.286 ppm2 1.103 CV
ASSI { 761}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 10 and name HA ))
2.900 1.000 1.000 peak 761 spectrum 1 weight .10000E+01 volume .13339E-02 ppm1 1.104 ppm2 4.674 CV
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