NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
9343 |
1nso   |
cing | recoord | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HA ))
3.000 3.000 3.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.53534E-02 ppm1 6.167 ppm2 5.264 CV 1
ASSI { 1}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 69 and name HA ))
3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.22634E-02 ppm1 5.844 ppm2 5.009 CV 1
ASSI { 2}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 77 and name HA ))
3.200 1.300 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.30314E-02 ppm1 5.268 ppm2 3.715 CV 1
ASSI { 3}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 79 and name HA ))
4.000 2.000 2.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.97062E-03 ppm1 6.158 ppm2 5.844 CV 1
ASSI { 4}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 16 and name HD2%)
3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.35042E-02 ppm1 6.165 ppm2 0.806 CV 1
ASSI { 5}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
2.700 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.33814E-02 ppm1 6.161 ppm2 3.082 CV 1
ASSI { 6}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB1 ))
2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.36691E-02 ppm1 6.162 ppm2 2.603 CV 1
ASSI { 7}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HE1 ))
4.800 2.900 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.73823E-03 ppm1 6.179 ppm2 9.565 CV 1
ASSI { 8}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HN ))
2.300 0.700 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.66547E-02 ppm1 6.159 ppm2 9.041 CV 1
ASSI { 9}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 80 and name HN ))
2.400 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.64861E-02 ppm1 5.854 ppm2 9.421 CV 1
ASSI { 10}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 69 and name HN ))
3.300 3.300 2.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.60407E-03 ppm1 5.860 ppm2 8.512 CV 1
ASSI { 11}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB1 ))
2.700 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.34382E-02 ppm1 5.860 ppm2 1.458 CV 1
ASSI { 12}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB2 ))
2.900 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.34969E-02 ppm1 5.853 ppm2 1.132 CV 1
ASSI { 13}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 79 and name HD2%)
2.900 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.53956E-02 ppm1 5.858 ppm2 0.594 CV 1
ASSI { 14}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 12 and name HA ))
4.200 2.200 1.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.76297E-03 ppm1 5.390 ppm2 4.695 CV 1
ASSI { 15}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HG2%)
2.900 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.23001E-02 ppm1 5.384 ppm2 1.143 CV 1
ASSI { 16}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 13 and name HG2%)
4.200 2.200 1.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.82583E-03 ppm1 5.379 ppm2 0.738 CV 1
ASSI { 17}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.44646E-02 ppm1 5.378 ppm2 8.375 CV 1
ASSI { 18}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 5.386 ppm2 8.877 CV 1
ASSI { 19}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 21 and name HA ))
3.600 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.14843E-02 ppm1 5.221 ppm2 4.641 CV 1
ASSI { 20}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HG2%)
2.900 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.26520E-02 ppm1 5.222 ppm2 0.722 CV 1
ASSI { 21}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.100 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.10738E-01 ppm1 5.220 ppm2 8.853 CV 1
ASSI { 22}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 86 and name HA ))
3.300 3.300 2.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.33283E-02 ppm1 5.040 ppm2 4.654 CV 1
OR { 22}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 39 and name HA ))
ASSI { 23}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 70 and name HN ))
2.300 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.79651E-02 ppm1 5.010 ppm2 8.664 CV 1
ASSI { 25}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 84 and name HG2%)
2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.42428E-02 ppm1 5.058 ppm2 0.103 CV 1
ASSI { 26}
(( segid " " and resid 69 and name HA ))
( segid " " and resid 79 and name HD2%)
2.900 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.44847E-02 ppm1 5.016 ppm2 0.599 CV 1
ASSI { 27}
(( segid " " and resid 69 and name HA ))
( segid " " and resid 69 and name HG2%)
2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.42465E-02 ppm1 5.018 ppm2 0.978 CV 1
ASSI { 28}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 34 and name HB ))
3.500 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18951E-02 ppm1 5.051 ppm2 1.709 CV 1
ASSI { 29}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 85 and name HN ))
2.200 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10842E-01 ppm1 5.055 ppm2 7.912 CV 1
ASSI { 31}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 81 and name HN ))
2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.74886E-02 ppm1 4.877 ppm2 9.366 CV 1
ASSI { 32}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 20 and name HA ))
2.300 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 5.369 ppm2 4.030 CV 1
ASSI { 33}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
3.300 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.98693E-03 ppm1 5.373 ppm2 3.263 CV 1
ASSI { 34}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB1 ))
3.000 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.14653E-02 ppm1 5.371 ppm2 2.745 CV 1
ASSI { 35}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HB1 ))
4.300 2.300 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.72173E-03 ppm1 5.352 ppm2 2.239 CV 1
ASSI { 36}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 14 and name HB2 ))
3.500 1.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 5.346 ppm2 1.573 CV 1
ASSI { 37}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 70 and name HD1 ))
3.700 1.700 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.54561E-03 ppm1 5.368 ppm2 6.741 CV 1
ASSI { 38}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.49942E-02 ppm1 5.376 ppm2 9.677 CV 1
ASSI { 40}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.300 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.90427E-02 ppm1 5.087 ppm2 9.042 CV 1
ASSI { 41}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 25 and name HN ))
4.100 2.100 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.98162E-03 ppm1 5.091 ppm2 8.565 CV 1
ASSI { 42}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.31083E-02 ppm1 5.070 ppm2 8.331 CV 1
ASSI { 44}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 24 and name HB1 ))
3.400 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.19060E-02 ppm1 5.081 ppm2 1.523 CV 1
ASSI { 45}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 24 and name HD1%)
3.200 3.200 2.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.47560E-02 ppm1 5.088 ppm2 0.697 CV 1
ASSI { 46}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 77 and name HB1 ))
2.900 2.900 3.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.21938E-02 ppm1 5.267 ppm2 3.369 CV 1
ASSI { 47}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 76 and name HB1 ))
3.800 3.800 2.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.15641E-02 ppm1 5.269 ppm2 3.016 CV 1
ASSI { 48}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB1 ))
2.400 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.57676E-02 ppm1 5.270 ppm2 1.725 CV 1
ASSI { 49}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 76 and name HA ))
4.700 2.700 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.26373E-03 ppm1 5.268 ppm2 4.620 CV 1
ASSI { 50}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 78 and name HN ))
3.800 1.800 1.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.62038E-03 ppm1 5.259 ppm2 6.218 CV 1
ASSI { 51}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HN ))
2.400 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.51317E-02 ppm1 5.264 ppm2 8.230 CV 1
ASSI { 52}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HN ))
3.600 1.700 1.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.50804E-03 ppm1 5.262 ppm2 9.019 CV 1
ASSI { 53}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 94 and name HN ))
2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.64018E-02 ppm1 5.112 ppm2 8.447 CV 1
ASSI { 54}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HZ2 ))
2.900 2.900 3.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.43418E-02 ppm1 5.107 ppm2 7.462 CV 1
ASSI { 55}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB1 ))
2.500 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.59784E-02 ppm1 5.111 ppm2 2.901 CV 1
ASSI { 56}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 32 and name HG2%)
2.900 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.40998E-02 ppm1 5.097 ppm2 1.396 CV 1
ASSI { 57}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 97 and name HD2%)
4.100 2.200 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.86322E-03 ppm1 5.120 ppm2 -0.289 CV 1
ASSI { 58}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB1 ))
2.800 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.30295E-02 ppm1 5.294 ppm2 1.198 CV 1
ASSI { 59}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HD2%)
3.200 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.48916E-02 ppm1 5.286 ppm2 0.818 CV 1
ASSI { 62}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.50712E-02 ppm1 5.298 ppm2 9.614 CV 1
ASSI { 63}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 14 and name HD2%)
3.200 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 5.409 ppm2 0.281 CV 1
ASSI { 65}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HB1 ))
4.800 2.800 1.200 peak 65 spectrum 1 weight 0.10000E+01 volume 0.59747E-03 ppm1 5.417 ppm2 1.932 CV 1
ASSI { 66}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB2 ))
2.400 0.700 0.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.56118E-02 ppm1 5.410 ppm2 2.660 CV 1
ASSI { 68}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB1 ))
3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.25255E-02 ppm1 5.412 ppm2 3.580 CV 1
ASSI { 69}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 14 and name HA ))
3.500 1.500 1.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.84819E-03 ppm1 5.403 ppm2 4.665 CV 1
ASSI { 70}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.12624E-02 ppm1 5.420 ppm2 8.277 CV 1
ASSI { 71}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HN ))
2.600 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.42501E-02 ppm1 5.411 ppm2 8.958 CV 1
ASSI { 73}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HD2 ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.14578E-01 ppm1 5.347 ppm2 4.010 CV 1
ASSI { 74}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB1 ))
2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.54561E-02 ppm1 5.350 ppm2 3.053 CV 1
ASSI { 75}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HB1 ))
4.000 2.000 2.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.28224E-02 ppm1 5.366 ppm2 2.055 CV 1
ASSI { 76}
(( segid " " and resid 94 and name HA1 ))
(( segid " " and resid 94 and name HA2 ))
2.000 0.500 0.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11097E-01 ppm1 5.009 ppm2 3.218 CV 1
ASSI { 77}
(( segid " " and resid 94 and name HA1 ))
(( segid " " and resid 93 and name HB2 ))
4.400 2.400 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.68398E-03 ppm1 5.013 ppm2 2.807 CV 1
ASSI { 79}
(( segid " " and resid 94 and name HA1 ))
( segid " " and resid 98 and name HD1%)
3.900 1.900 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.84636E-03 ppm1 5.004 ppm2 0.622 CV 1
ASSI { 80}
(( segid " " and resid 94 and name HA1 ))
(( segid " " and resid 33 and name HN ))
5.000 3.200 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 5.026 ppm2 8.751 CV 1
ASSI { 82}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.400 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.66657E-02 ppm1 4.510 ppm2 8.907 CV 1
ASSI { 83}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 4.521 ppm2 7.324 CV 1
ASSI { 84}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HB% )
2.500 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.68709E-02 ppm1 4.521 ppm2 1.350 CV 1
ASSI { 85}
(( segid " " and resid 13 and name HB ))
( segid " " and resid 13 and name HG2%)
2.600 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.50290E-02 ppm1 3.760 ppm2 0.728 CV 1
ASSI { 86}
(( segid " " and resid 13 and name HB ))
( segid " " and resid 14 and name HD2%)
5.500 5.500 0.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12926E-03 ppm1 3.765 ppm2 0.384 CV 1
ASSI { 87}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 14 and name HA ))
3.200 3.200 2.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.20710E-02 ppm1 3.763 ppm2 4.691 CV 1
ASSI { 88}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HA ))
3.400 1.500 1.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.90757E-03 ppm1 3.755 ppm2 5.238 CV 1
ASSI { 89}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 14 and name HN ))
3.800 1.800 1.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 3.769 ppm2 8.846 CV 1
ASSI { 90}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HN ))
3.600 1.600 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.88393E-03 ppm1 3.916 ppm2 8.851 CV 1
ASSI { 91}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 47 and name HN ))
3.600 1.600 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 3.920 ppm2 8.217 CV 1
ASSI { 92}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 11 and name HA ))
4.400 2.500 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.32678E-03 ppm1 3.908 ppm2 5.085 CV 1
ASSI { 93}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HA ))
2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11114E-01 ppm1 3.916 ppm2 4.645 CV 1
ASSI { 94}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 64 and name HA ))
3.600 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 3.915 ppm2 4.198 CV 1
ASSI { 95}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 45 and name HB ))
4.600 2.600 1.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.66345E-03 ppm1 3.924 ppm2 1.352 CV 1
ASSI { 97}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 27 and name HA ))
2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.67591E-02 ppm1 4.321 ppm2 3.796 CV 1
ASSI { 98}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 26 and name HB2 ))
4.400 4.400 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.75069E-03 ppm1 4.319 ppm2 2.097 CV 1
ASSI { 99}
(( segid " " and resid 27 and name HB ))
( segid " " and resid 27 and name HG2%)
2.500 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.57310E-02 ppm1 4.320 ppm2 1.138 CV 1
ASSI { 100}
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 14 and name HD1%)
2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.63101E-02 ppm1 1.309 ppm2 -0.437 CV 1
ASSI { 102}
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 13 and name HG2%)
2.500 2.500 3.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19555E-01 ppm1 1.319 ppm2 0.773 CV 1
ASSI { 103}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 72 and name HB2 ))
4.200 2.200 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.79852E-03 ppm1 1.309 ppm2 2.640 CV 1
ASSI { 104}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 72 and name HB1 ))
4.200 2.200 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.11673E-02 ppm1 1.316 ppm2 3.019 CV 1
ASSI { 105}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.45617E-02 ppm1 1.316 ppm2 4.684 CV 1
ASSI { 106}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 15 and name HA ))
3.400 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.13428E-02 ppm1 1.321 ppm2 5.372 CV 1
ASSI { 107}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HN ))
2.900 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.71440E-02 ppm1 1.307 ppm2 8.889 CV 1
ASSI { 108}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 84 and name HG1%)
4.500 2.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 0.296 ppm2 -0.644 CV 1
ASSI { 109}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 92 and name HD1%)
3.400 3.400 2.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.23312E-02 ppm1 0.300 ppm2 0.768 CV 1
ASSI { 110}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 34 and name HG2%)
2.700 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.22341E-01 ppm1 0.303 ppm2 1.145 CV 1
ASSI { 111}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB ))
2.100 0.500 0.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.19500E-01 ppm1 0.299 ppm2 1.813 CV 1
ASSI { 112}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 91 and name HB1 ))
3.200 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.24320E-02 ppm1 0.307 ppm2 2.525 CV 1
ASSI { 114}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HA ))
2.300 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.84178E-02 ppm1 0.305 ppm2 4.487 CV 1
ASSI { 116}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 93 and name HZ2 ))
3.300 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.37150E-02 ppm1 0.303 ppm2 7.405 CV 1
ASSI { 117}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 33 and name HN ))
3.600 1.600 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.82675E-03 ppm1 0.310 ppm2 8.718 CV 1
ASSI { 118}
( segid " " and resid 84 and name HG1%)
( segid " " and resid 84 and name HG2%)
2.200 0.600 0.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14458E-01 ppm1 -0.647 ppm2 0.108 CV 1
ASSI { 119}
( segid " " and resid 84 and name HG1%)
( segid " " and resid 45 and name HD1%)
2.500 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.10485E-01 ppm1 -0.642 ppm2 0.454 CV 1
ASSI { 120}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 84 and name HB ))
2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.11920E-01 ppm1 -0.650 ppm2 0.915 CV 1
ASSI { 121}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 85 and name HB ))
3.200 3.200 2.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.52105E-02 ppm1 -0.648 ppm2 1.647 CV 1
ASSI { 122}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 39 and name HB2 ))
3.900 1.900 1.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 -0.637 ppm2 3.059 CV 1
ASSI { 123}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 64 and name HB2 ))
4.800 2.900 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.30845E-03 ppm1 -0.654 ppm2 3.683 CV 1
ASSI { 125}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 85 and name HA ))
3.000 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.40815E-02 ppm1 -0.644 ppm2 4.820 CV 1
ASSI { 126}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 84 and name HA ))
2.400 0.700 0.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.77195E-02 ppm1 -0.646 ppm2 5.091 CV 1
ASSI { 127}
( segid " " and resid 84 and name HG1%)
( segid " " and resid 83 and name HD% )
2.600 2.600 3.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.26483E-02 ppm1 -0.639 ppm2 6.738 CV 1
ASSI { 129}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 85 and name HN ))
3.400 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.26446E-02 ppm1 -0.647 ppm2 7.980 CV 1
ASSI { 130}
( segid " " and resid 84 and name HG1%)
(( segid " " and resid 84 and name HN ))
3.600 1.600 1.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 -0.646 ppm2 8.528 CV 1
ASSI { 134}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 39 and name HB2 ))
2.800 2.800 3.200 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15826E-02 ppm1 0.129 ppm2 2.964 CV 1
ASSI { 135}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 39 and name HB1 ))
3.000 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 0.120 ppm2 3.430 CV 1
ASSI { 136}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.48879E-02 ppm1 0.113 ppm2 3.789 CV 1
ASSI { 137}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 33 and name HA ))
3.500 1.600 1.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.17840E-02 ppm1 0.118 ppm2 4.605 CV 1
ASSI { 139}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 85 and name HN ))
3.500 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.33557E-02 ppm1 0.119 ppm2 7.964 CV 1
ASSI { 140}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 34 and name HN ))
3.800 1.800 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.72137E-03 ppm1 0.122 ppm2 8.826 CV 1
ASSI { 142}
( segid " " and resid 97 and name HD2%)
(( segid " " and resid 101 and name HG1 ))
3.100 3.100 2.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.31688E-02 ppm1 -0.471 ppm2 1.852 CV 1
ASSI { 145}
( segid " " and resid 97 and name HD2%)
(( segid " " and resid 97 and name HA ))
2.600 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.43656E-02 ppm1 -0.484 ppm2 3.804 CV 1
ASSI { 146}
( segid " " and resid 97 and name HD2%)
(( segid " " and resid 101 and name HN ))
3.600 3.600 2.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.18987E-02 ppm1 -0.470 ppm2 7.500 CV 1
ASSI { 147}
( segid " " and resid 97 and name HD2%)
(( segid " " and resid 96 and name HA ))
3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.90922E-03 ppm1 -0.469 ppm2 4.082 CV 1
OR { 147}
( segid " " and resid 97 and name HD2%)
(( segid " " and resid 32 and name HB ))
ASSI { 149}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 97 and name HB2 ))
2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.67866E-02 ppm1 -0.255 ppm2 1.129 CV 1
ASSI { 150}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 97 and name HB1 ))
2.600 2.600 3.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.71697E-02 ppm1 -0.249 ppm2 1.516 CV 1
ASSI { 151}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HB2 ))
2.900 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.55734E-02 ppm1 -0.450 ppm2 1.536 CV 1
ASSI { 152}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 101 and name HB1 ))
3.900 1.900 1.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.15393E-02 ppm1 -0.250 ppm2 1.940 CV 1
ASSI { 155}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 93 and name HA ))
2.900 1.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.12336E-02 ppm1 -0.247 ppm2 5.096 CV 1
ASSI { 157}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 70 and name HA ))
4.000 2.000 2.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 -0.438 ppm2 6.157 CV 1
ASSI { 158}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 70 and name HZ3 ))
3.800 1.800 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11224E-02 ppm1 -0.443 ppm2 6.509 CV 1
ASSI { 159}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 93 and name HD1 ))
3.300 1.300 1.300 peak 159 spectrum 1 weight 0.10000E+01 volume 0.12043E-02 ppm1 -0.242 ppm2 6.452 CV 1
ASSI { 161}
( segid " " and resid 14 and name HD2%)
( segid " " and resid 14 and name HD1%)
2.000 0.500 0.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.24742E-01 ppm1 0.284 ppm2 -0.426 CV 1
ASSI { 162}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HG ))
2.300 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.81007E-02 ppm1 0.281 ppm2 1.067 CV 1
OR { 162}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 12 and name HG ))
ASSI { 163}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HB1 ))
2.200 0.600 0.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.23936E-01 ppm1 0.284 ppm2 1.356 CV 1
ASSI { 164}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 73 and name HB1 ))
3.600 3.600 2.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.21113E-02 ppm1 0.282 ppm2 1.931 CV 1
ASSI { 166}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 72 and name HB2 ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.89933E-02 ppm1 0.285 ppm2 2.657 CV 1
ASSI { 168}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HA ))
3.200 1.200 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.48897E-02 ppm1 0.282 ppm2 4.679 CV 1
ASSI { 169}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 15 and name HA ))
3.400 3.400 2.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.27583E-02 ppm1 0.289 ppm2 5.369 CV 1
ASSI { 171}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 70 and name HH2 ))
3.100 3.100 2.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.31853E-02 ppm1 0.280 ppm2 6.913 CV 1
ASSI { 173}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HN ))
2.900 2.900 3.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.44591E-02 ppm1 0.286 ppm2 8.899 CV 1
ASSI { 174}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 70 and name HE1 ))
3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.15252E-02 ppm1 0.282 ppm2 9.595 CV 1
ASSI { 175}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB ))
2.800 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.33814E-02 ppm1 4.869 ppm2 1.812 CV 1
ASSI { 176}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 80 and name HG2%)
2.500 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.80311E-02 ppm1 4.872 ppm2 0.840 CV 1
ASSI { 177}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.400 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.74134E-02 ppm1 4.903 ppm2 8.753 CV 1
ASSI { 179}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB ))
2.500 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.72320E-02 ppm1 4.895 ppm2 1.382 CV 1
ASSI { 180}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 45 and name HD1%)
3.100 1.200 1.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66162E-02 ppm1 4.894 ppm2 0.455 CV 1
ASSI { 181}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14123E-01 ppm1 4.593 ppm2 8.764 CV 1
ASSI { 182}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
2.600 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.52765E-02 ppm1 4.604 ppm2 8.232 CV 1
ASSI { 184}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 83 and name HB1 ))
3.200 3.200 2.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.27326E-02 ppm1 4.591 ppm2 2.898 CV 1
ASSI { 185}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HB1 ))
4.300 2.300 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.65355E-03 ppm1 4.604 ppm2 2.461 CV 1
ASSI { 186}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HG2%)
2.800 1.000 1.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.49356E-02 ppm1 4.602 ppm2 1.064 CV 1
ASSI { 187}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 45 and name HB ))
3.300 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.34565E-02 ppm1 4.598 ppm2 1.430 CV 1
ASSI { 188}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG2%)
2.300 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.88595E-02 ppm1 4.586 ppm2 0.689 CV 1
ASSI { 189}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 84 and name HG1%)
4.600 2.700 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.52343E-03 ppm1 4.578 ppm2 -0.649 CV 1
ASSI { 190}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HB ))
3.400 1.500 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 4.593 ppm2 1.777 CV 1
ASSI { 191}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
3.200 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.14953E-02 ppm1 3.798 ppm2 7.694 CV 1
ASSI { 193}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HD2%)
2.400 2.400 3.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13394E-01 ppm1 3.791 ppm2 0.721 CV 1
ASSI { 194}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.37644E-02 ppm1 3.787 ppm2 1.506 CV 1
ASSI { 195}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 39 and name HB2 ))
3.200 1.200 1.200 peak 195 spectrum 1 weight 0.10000E+01 volume 0.17358E-02 ppm1 3.798 ppm2 2.998 CV 1
ASSI { 196}
(( segid " " and resid 98 and name HA ))
( segid " " and resid 98 and name HD2%)
2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.74611E-02 ppm1 3.558 ppm2 0.587 CV 1
ASSI { 197}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB1 ))
2.200 0.600 0.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.99609E-02 ppm1 3.560 ppm2 1.442 CV 1
ASSI { 198}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 63 and name HA ))
2.400 2.400 3.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.75930E-02 ppm1 4.819 ppm2 4.524 CV 1
ASSI { 199}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 86 and name HD1 ))
2.400 0.700 0.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.51628E-02 ppm1 4.832 ppm2 3.758 CV 1
ASSI { 200}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 63 and name HB2 ))
3.400 3.400 2.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 4.820 ppm2 2.006 CV 1
ASSI { 201}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HB ))
2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.24302E-02 ppm1 4.823 ppm2 1.650 CV 1
ASSI { 203}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HG2%)
2.900 1.000 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.34346E-02 ppm1 4.835 ppm2 0.912 CV 1
ASSI { 204}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 84 and name HG2%)
3.400 3.400 2.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.50199E-03 ppm1 4.849 ppm2 0.109 CV 1
ASSI { 205}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HN ))
2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.60682E-02 ppm1 3.711 ppm2 6.241 CV 1
ASSI { 207}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HB2 ))
2.300 0.600 0.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.12710E-01 ppm1 3.702 ppm2 3.411 CV 1
ASSI { 208}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.53039E-02 ppm1 4.938 ppm2 8.552 CV 1
ASSI { 209}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB1 ))
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.34749E-02 ppm1 4.937 ppm2 1.543 CV 1
ASSI { 210}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
2.900 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.23184E-02 ppm1 4.942 ppm2 1.303 CV 1
ASSI { 211}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HD2%)
2.600 2.600 3.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.92535E-02 ppm1 4.939 ppm2 0.705 CV 1
ASSI { 212}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HA ))
4.800 2.900 1.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32311E-03 ppm1 4.944 ppm2 4.000 CV 1
ASSI { 214}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.41438E-02 ppm1 4.947 ppm2 8.271 CV 1
ASSI { 215}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.900 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.32806E-02 ppm1 4.946 ppm2 2.125 CV 1
ASSI { 217}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB1 ))
2.900 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.36875E-02 ppm1 4.955 ppm2 2.920 CV 1
ASSI { 220}
(( segid " " and resid 28 and name HA1 ))
(( segid " " and resid 28 and name HA2 ))
1.900 0.500 0.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.17781E-01 ppm1 4.120 ppm2 3.589 CV 1
ASSI { 221}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 23 and name HA2 ))
1.800 0.400 0.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.23532E-01 ppm1 4.129 ppm2 2.627 CV 1
ASSI { 223}
(( segid " " and resid 23 and name HA1 ))
( segid " " and resid 24 and name HD1%)
3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.23771E-02 ppm1 4.141 ppm2 0.708 CV 1
ASSI { 225}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.11850E-01 ppm1 4.132 ppm2 8.315 CV 1
ASSI { 226}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.73493E-02 ppm1 3.690 ppm2 5.068 CV 1
ASSI { 227}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 12 and name HA ))
3.200 3.200 2.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.30662E-02 ppm1 3.690 ppm2 4.694 CV 1
ASSI { 228}
(( segid " " and resid 11 and name HB1 ))
( segid " " and resid 22 and name HG2%)
3.300 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.20362E-02 ppm1 3.688 ppm2 1.119 CV 1
ASSI { 230}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.31065E-02 ppm1 3.688 ppm2 8.197 CV 1
ASSI { 231}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD1 ))
3.500 1.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11398E-02 ppm1 4.468 ppm2 3.604 CV 1
ASSI { 232}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.29764E-02 ppm1 4.482 ppm2 4.858 CV 1
ASSI { 233}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
2.900 1.100 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.41622E-02 ppm1 4.465 ppm2 2.280 CV 1
ASSI { 234}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.200 0.600 0.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.96989E-02 ppm1 4.472 ppm2 1.929 CV 1
ASSI { 235}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 24 and name HB1 ))
3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.26996E-02 ppm1 4.468 ppm2 1.529 CV 1
ASSI { 236}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 24 and name HB2 ))
3.100 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.24650E-02 ppm1 4.466 ppm2 1.254 CV 1
ASSI { 237}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 24 and name HD2%)
3.100 3.100 2.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.50657E-02 ppm1 4.471 ppm2 0.812 CV 1
ASSI { 238}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 84 and name HN ))
3.100 3.100 2.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.75014E-02 ppm1 4.465 ppm2 8.127 CV 1
ASSI { 239}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.42318E-02 ppm1 4.473 ppm2 8.603 CV 1
ASSI { 242}
(( segid " " and resid 84 and name HB ))
( segid " " and resid 84 and name HG2%)
2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.31596E-02 ppm1 0.944 ppm2 0.111 CV 1
ASSI { 243}
(( segid " " and resid 84 and name HB ))
( segid " " and resid 45 and name HD1%)
3.300 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.15494E-02 ppm1 0.941 ppm2 0.492 CV 1
ASSI { 245}
(( segid " " and resid 84 and name HB ))
(( segid " " and resid 84 and name HA ))
3.400 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.98308E-03 ppm1 0.936 ppm2 5.034 CV 1
ASSI { 246}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 81 and name HB1 ))
2.000 0.500 0.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.85644E-02 ppm1 0.576 ppm2 1.440 CV 1
ASSI { 247}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 81 and name HA ))
3.200 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.90464E-03 ppm1 0.558 ppm2 4.662 CV 1
ASSI { 249}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 81 and name HN ))
4.100 2.100 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.33649E-03 ppm1 0.571 ppm2 9.297 CV 1
ASSI { 250}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HG2 ))
2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.16093E-02 ppm1 0.149 ppm2 0.566 CV 1
ASSI { 251}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HB2 ))
1.900 0.400 0.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.13018E-01 ppm1 0.159 ppm2 1.388 CV 1
ASSI { 252}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HD2 ))
4.200 2.200 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.92260E-03 ppm1 0.160 ppm2 3.412 CV 1
ASSI { 253}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HA ))
3.400 1.500 1.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.61232E-03 ppm1 0.162 ppm2 4.120 CV 1
ASSI { 254}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HG1 ))
3.400 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.23807E-02 ppm1 0.150 ppm2 -0.806 CV 1
ASSI { 255}
( segid " " and resid 45 and name HG2%)
( segid " " and resid 84 and name HG1%)
3.100 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.42794E-02 ppm1 0.455 ppm2 -0.658 CV 1
ASSI { 256}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HB ))
2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.42666E-02 ppm1 0.455 ppm2 1.400 CV 1
ASSI { 257}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 43 and name HB1 ))
2.800 2.800 3.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.17739E-02 ppm1 0.455 ppm2 3.026 CV 1
ASSI { 258}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 40 and name HD2 ))
4.100 2.100 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.75820E-03 ppm1 0.456 ppm2 3.420 CV 1
ASSI { 259}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 64 and name HA ))
3.000 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.27399E-02 ppm1 0.456 ppm2 4.237 CV 1
ASSI { 260}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HA ))
2.500 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.55165E-02 ppm1 0.451 ppm2 4.909 CV 1
ASSI { 262}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 43 and name HD1 ))
3.200 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.19684E-02 ppm1 0.461 ppm2 7.124 CV 1
ASSI { 263}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 43 and name HZ2 ))
3.400 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.26007E-02 ppm1 0.461 ppm2 7.411 CV 1
ASSI { 264}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 46 and name HN ))
3.500 1.600 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.24357E-02 ppm1 0.450 ppm2 8.812 CV 1
ASSI { 265}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 65 and name HN ))
3.000 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.28554E-02 ppm1 0.451 ppm2 8.585 CV 1
ASSI { 266}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 43 and name HE1 ))
2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.33667E-02 ppm1 0.447 ppm2 10.155 CV 1
ASSI { 268}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 31 and name HB ))
2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.89309E-02 ppm1 0.555 ppm2 2.027 CV 1
ASSI { 269}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 30 and name HB1 ))
3.800 1.800 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.73420E-03 ppm1 0.568 ppm2 2.657 CV 1
ASSI { 270}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 94 and name HA2 ))
3.800 1.800 1.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 0.560 ppm2 3.226 CV 1
ASSI { 272}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 30 and name HA ))
3.000 3.000 3.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.53314E-02 ppm1 0.552 ppm2 4.387 CV 1
ASSI { 274}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 30 and name HN ))
3.800 1.800 1.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.26465E-02 ppm1 0.553 ppm2 8.860 CV 1
ASSI { 276}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 43 and name HD1 ))
2.800 2.800 3.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 0.403 ppm2 7.180 CV 1
ASSI { 277}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 39 and name HH2 ))
3.800 1.900 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24705E-03 ppm1 0.404 ppm2 6.848 CV 1
ASSI { 278}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 44 and name HA ))
2.700 2.700 3.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.21461E-02 ppm1 0.399 ppm2 4.729 CV 1
ASSI { 279}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 64 and name HB2 ))
3.300 1.400 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.13489E-02 ppm1 0.406 ppm2 3.659 CV 1
ASSI { 281}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 44 and name HB2 ))
2.900 2.900 3.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13729E-02 ppm1 0.402 ppm2 2.372 CV 1
ASSI { 282}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 44 and name HB1 ))
2.500 2.500 3.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.29507E-02 ppm1 0.399 ppm2 2.012 CV 1
ASSI { 283}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HB ))
1.800 1.800 4.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.36380E-01 ppm1 0.396 ppm2 1.320 CV 1
ASSI { 284}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 62 and name HB1 ))
3.500 3.500 2.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.12160E-02 ppm1 0.394 ppm2 1.683 CV 1
OR { 284}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 85 and name HB ))
ASSI { 286}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 54 and name HA2 ))
2.500 2.500 3.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.34492E-02 ppm1 0.636 ppm2 3.773 CV 1
ASSI { 287}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HA ))
3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.94129E-03 ppm1 0.640 ppm2 4.445 CV 1
ASSI { 288}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HB ))
2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.11563E-01 ppm1 0.638 ppm2 1.730 CV 1
ASSI { 290}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 11 and name HA ))
3.300 3.300 2.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.59033E-03 ppm1 0.640 ppm2 5.113 CV 1
ASSI { 291}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HN ))
5.500 3.800 0.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.40009E-03 ppm1 0.640 ppm2 7.697 CV 1
ASSI { 292}
( segid " " and resid 101 and name HE% )
( segid " " and resid 98 and name HD2%)
2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.64696E-02 ppm1 1.389 ppm2 -0.253 CV 1
ASSI { 293}
( segid " " and resid 101 and name HE% )
( segid " " and resid 97 and name HD2%)
2.200 2.200 3.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.81227E-02 ppm1 1.390 ppm2 -0.490 CV 1
ASSI { 294}
( segid " " and resid 101 and name HE% )
( segid " " and resid 14 and name HD2%)
2.000 2.000 4.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11194E-01 ppm1 1.387 ppm2 0.266 CV 1
ASSI { 296}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 100 and name HB1 ))
2.600 2.600 3.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.24944E-02 ppm1 1.390 ppm2 2.693 CV 1
ASSI { 297}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 93 and name HB1 ))
3.700 1.700 1.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.13713E-02 ppm1 1.390 ppm2 3.029 CV 1
ASSI { 298}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 97 and name HA ))
3.600 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 1.381 ppm2 3.760 CV 1
ASSI { 299}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 101 and name HA ))
2.400 2.400 3.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.45818E-02 ppm1 1.390 ppm2 4.270 CV 1
ASSI { 300}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 70 and name HE1 ))
4.500 2.700 1.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.29012E-02 ppm1 1.392 ppm2 6.977 CV 1
ASSI { 301}
( segid " " and resid 20 and name HE% )
( segid " " and resid 14 and name HD2%)
4.000 2.000 2.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 1.762 ppm2 0.275 CV 1
ASSI { 302}
( segid " " and resid 20 and name HE% )
( segid " " and resid 2 and name HG2%)
3.100 3.100 2.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.90757E-03 ppm1 1.759 ppm2 0.630 CV 1
ASSI { 303}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 14 and name HB2 ))
3.600 1.700 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.39844E-02 ppm1 1.755 ppm2 1.351 CV 1
ASSI { 304}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 12 and name HG ))
2.800 2.800 3.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 1.756 ppm2 1.099 CV 1
OR { 304}
( segid " " and resid 20 and name HE% )
( segid " " and resid 22 and name HG2%)
OR { 304}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 19 and name HG2 ))
ASSI { 305}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 73 and name HE1 ))
4.200 2.200 1.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.55440E-03 ppm1 1.758 ppm2 3.055 CV 1
ASSI { 306}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 20 and name HA ))
3.600 1.700 1.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 1.758 ppm2 3.990 CV 1
ASSI { 307}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 74 and name HA ))
3.700 3.700 2.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.18201E-02 ppm1 1.754 ppm2 4.389 CV 1
ASSI { 308}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 72 and name HA ))
3.600 1.600 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.13806E-02 ppm1 1.751 ppm2 5.478 CV 1
ASSI { 309}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 15 and name HZ3 ))
3.700 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.11499E-02 ppm1 1.752 ppm2 6.314 CV 1
ASSI { 310}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 15 and name HH2 ))
3.900 1.900 1.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.91105E-03 ppm1 1.747 ppm2 6.915 CV 1
ASSI { 311}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 15 and name HZ2 ))
3.300 3.300 2.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.23093E-02 ppm1 1.753 ppm2 7.336 CV 1
ASSI { 312}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 20 and name HN ))
3.000 3.000 3.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 1.754 ppm2 8.522 CV 1
ASSI { 314}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 15 and name HE1 ))
3.600 1.600 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 1.755 ppm2 10.164 CV 1
ASSI { 316}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 34 and name HB ))
2.400 0.700 0.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.73071E-02 ppm1 1.177 ppm2 1.738 CV 1
ASSI { 317}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 38 and name HB2 ))
2.800 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.27308E-02 ppm1 1.173 ppm2 2.796 CV 1
ASSI { 318}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 38 and name HB1 ))
3.300 1.300 1.300 peak 318 spectrum 1 weight 0.10000E+01 volume 0.27125E-02 ppm1 1.177 ppm2 3.023 CV 1
ASSI { 319}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 82 and name HD1 ))
4.400 2.400 1.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.35170E-03 ppm1 1.184 ppm2 3.454 CV 1
ASSI { 320}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 36 and name HA ))
4.300 2.300 1.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.43106E-03 ppm1 1.183 ppm2 3.786 CV 1
ASSI { 322}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 34 and name HA ))
3.000 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.38084E-02 ppm1 1.177 ppm2 4.482 CV 1
ASSI { 323}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 93 and name HZ3 ))
4.500 2.500 1.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 1.171 ppm2 6.723 CV 1
ASSI { 324}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 66 and name HN ))
2.700 2.700 3.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.77525E-02 ppm1 1.178 ppm2 7.346 CV 1
ASSI { 325}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 35 and name HN ))
3.200 1.300 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.17094E-02 ppm1 1.176 ppm2 9.114 CV 1
ASSI { 326}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HN ))
3.900 1.900 1.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 -0.431 ppm2 8.865 CV 1
ASSI { 327}
( segid " " and resid 79 and name HD1%)
(( segid " " and resid 79 and name HA ))
2.400 2.400 3.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.12274E-01 ppm1 0.612 ppm2 5.869 CV 1
ASSI { 328}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 70 and name HN ))
3.500 3.500 2.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.17103E-02 ppm1 0.613 ppm2 8.679 CV 1
ASSI { 332}
( segid " " and resid 84 and name HG2%)
(( segid " " and resid 65 and name HA ))
4.100 2.100 1.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.42941E-03 ppm1 0.115 ppm2 4.119 CV 1
ASSI { 333}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 68 and name HB2 ))
2.600 0.800 0.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.10817E-01 ppm1 0.137 ppm2 1.698 CV 1
ASSI { 334}
( segid " " and resid 68 and name HD1%)
( segid " " and resid 68 and name HD2%)
2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.84141E-02 ppm1 0.141 ppm2 0.824 CV 1
ASSI { 335}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 67 and name HB1 ))
4.100 4.100 1.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.78405E-03 ppm1 0.148 ppm2 2.756 CV 1
ASSI { 337}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 68 and name HA ))
2.600 0.900 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.67591E-02 ppm1 0.143 ppm2 4.390 CV 1
ASSI { 338}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 38 and name HA ))
2.700 2.700 3.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.26703E-02 ppm1 0.141 ppm2 4.711 CV 1
OR { 338}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 14 and name HA ))
ASSI { 340}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 46 and name HA ))
3.700 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.24009E-02 ppm1 0.455 ppm2 4.647 CV 1
ASSI { 341}
( segid " " and resid 34 and name HG2%)
( segid " " and resid 84 and name HG1%)
3.600 1.700 1.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.65575E-03 ppm1 1.170 ppm2 -0.692 CV 1
ASSI { 342}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 84 and name HN ))
5.100 3.300 0.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.23056E-03 ppm1 1.180 ppm2 8.137 CV 1
ASSI { 343}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HN ))
2.500 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.49924E-02 ppm1 4.089 ppm2 9.387 CV 1
ASSI { 344}
( segid " " and resid 79 and name HD1%)
(( segid " " and resid 80 and name HN ))
3.100 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.27546E-02 ppm1 0.612 ppm2 9.386 CV 1
ASSI { 345}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HG1 ))
2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.90024E-02 ppm1 0.598 ppm2 -0.827 CV 1
ASSI { 347}
( segid " " and resid 79 and name HD1%)
(( segid " " and resid 79 and name HB1 ))
2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.77250E-02 ppm1 0.615 ppm2 1.549 CV 1
ASSI { 349}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 101 and name HN ))
3.800 1.800 1.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.64219E-03 ppm1 3.550 ppm2 7.505 CV 1
ASSI { 351}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 78 and name HN ))
2.900 2.900 3.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 3.762 ppm2 6.197 CV 1
ASSI { 354}
( segid " " and resid 98 and name HD1%)
(( segid " " and resid 98 and name HA ))
3.500 1.700 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.71862E-02 ppm1 0.562 ppm2 3.585 CV 1
ASSI { 355}
( segid " " and resid 98 and name HD1%)
(( segid " " and resid 94 and name HN ))
3.200 3.200 2.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.25475E-02 ppm1 0.567 ppm2 8.398 CV 1
ASSI { 356}
( segid " " and resid 98 and name HD1%)
(( segid " " and resid 93 and name HB2 ))
3.700 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 0.568 ppm2 2.849 CV 1
ASSI { 357}
( segid " " and resid 98 and name HD1%)
(( segid " " and resid 98 and name HB2 ))
2.500 0.800 0.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13040E-01 ppm1 0.571 ppm2 1.594 CV 1
ASSI { 358}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HA ))
2.200 0.600 0.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.12899E-01 ppm1 4.064 ppm2 4.479 CV 1
ASSI { 359}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HN ))
3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.14321E-02 ppm1 4.068 ppm2 8.936 CV 1
ASSI { 360}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG2%)
3.300 1.400 1.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.11138E-02 ppm1 4.054 ppm2 1.401 CV 1
ASSI { 361}
(( segid " " and resid 48 and name HB ))
( segid " " and resid 48 and name HG2%)
2.700 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.45049E-02 ppm1 4.073 ppm2 1.083 CV 1
ASSI { 362}
(( segid " " and resid 48 and name HB ))
(( segid " " and resid 48 and name HN ))
3.400 1.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12945E-02 ppm1 4.094 ppm2 8.115 CV 1
ASSI { 363}
(( segid " " and resid 48 and name HB ))
(( segid " " and resid 49 and name HN ))
3.300 1.300 1.300 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 4.090 ppm2 8.350 CV 1
ASSI { 364}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 84 and name HG2%)
4.100 2.100 1.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.64329E-03 ppm1 0.807 ppm2 0.131 CV 1
ASSI { 366}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 86 and name HA ))
2.600 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.24504E-02 ppm1 0.807 ppm2 4.675 CV 1
ASSI { 367}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HG1 ))
5.800 4.200 0.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.16660E-03 ppm1 0.805 ppm2 2.256 CV 1
ASSI { 370}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 71 and name HA ))
3.100 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.17314E-02 ppm1 3.077 ppm2 5.282 CV 1
ASSI { 371}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
4.500 2.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.64696E-03 ppm1 3.067 ppm2 1.197 CV 1
ASSI { 372}
(( segid " " and resid 70 and name HB1 ))
( segid " " and resid 68 and name HD2%)
3.800 3.800 2.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.20637E-02 ppm1 3.080 ppm2 0.831 CV 1
ASSI { 373}
(( segid " " and resid 70 and name HB1 ))
( segid " " and resid 97 and name HD2%)
3.800 1.800 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.87293E-03 ppm1 3.074 ppm2 -0.440 CV 1
OR { 373}
(( segid " " and resid 70 and name HB1 ))
( segid " " and resid 14 and name HD1%)
ASSI { 375}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 71 and name HN ))
3.200 1.300 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.22634E-02 ppm1 3.063 ppm2 9.061 CV 1
ASSI { 378}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 94 and name HA2 ))
3.400 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 4.504 ppm2 3.171 CV 1
ASSI { 379}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 34 and name HB ))
4.700 2.700 1.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.37131E-03 ppm1 4.499 ppm2 1.765 CV 1
OR { 379}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 91 and name HB2 ))
ASSI { 380}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HG2%)
3.400 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 4.489 ppm2 1.379 CV 1
ASSI { 381}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 33 and name HD1%)
4.500 2.500 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.50364E-03 ppm1 4.485 ppm2 0.702 CV 1
OR { 381}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 92 and name HD1%)
OR { 381}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 33 and name HG2%)
ASSI { 383}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.59033E-02 ppm1 4.490 ppm2 8.761 CV 1
ASSI { 384}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 50 and name HB ))
2.300 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.11339E-01 ppm1 0.981 ppm2 4.008 CV 1
ASSI { 385}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 51 and name HA ))
2.900 2.900 3.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.54487E-02 ppm1 0.985 ppm2 4.687 CV 1
ASSI { 386}
( segid " " and resid 52 and name HD1%)
(( segid " " and resid 52 and name HB2 ))
3.000 1.100 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.71953E-02 ppm1 0.401 ppm2 1.533 CV 1
ASSI { 388}
( segid " " and resid 52 and name HD2%)
(( segid " " and resid 51 and name HB1 ))
2.700 2.700 3.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.18731E-02 ppm1 0.395 ppm2 2.645 CV 1
ASSI { 389}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB ))
2.500 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.80622E-02 ppm1 4.455 ppm2 4.092 CV 1
ASSI { 390}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
2.400 0.700 0.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.90134E-02 ppm1 4.454 ppm2 8.365 CV 1
ASSI { 391}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HN ))
3.000 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.27106E-02 ppm1 4.458 ppm2 8.045 CV 1
ASSI { 392}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HB1 ))
3.400 1.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.29269E-02 ppm1 4.443 ppm2 1.532 CV 1
ASSI { 395}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HB ))
2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.97868E-02 ppm1 1.049 ppm2 3.957 CV 1
ASSI { 397}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 45 and name HA ))
4.100 2.100 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.84783E-03 ppm1 1.046 ppm2 4.961 CV 1
ASSI { 398}
( segid " " and resid 45 and name HG2%)
( segid " " and resid 84 and name HG2%)
3.400 1.500 1.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 0.458 ppm2 0.135 CV 1
ASSI { 399}
( segid " " and resid 45 and name HG2%)
( segid " " and resid 36 and name HD1%)
3.400 1.400 1.400 peak 399 spectrum 1 weight 0.10000E+01 volume 0.28426E-02 ppm1 0.458 ppm2 0.749 CV 1
ASSI { 400}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HA ))
3.200 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 1.373 ppm2 4.104 CV 1
ASSI { 401}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 39 and name HB2 ))
4.700 2.800 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.10793E-02 ppm1 1.512 ppm2 3.017 CV 1
ASSI { 402}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 39 and name HA ))
2.500 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.46203E-02 ppm1 1.522 ppm2 4.652 CV 1
ASSI { 403}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 39 and name HD1 ))
5.900 4.300 0.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.25878E-03 ppm1 1.523 ppm2 6.670 CV 1
ASSI { 406}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 39 and name HA ))
2.400 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.66015E-02 ppm1 3.406 ppm2 4.671 CV 1
ASSI { 407}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 66 and name HN ))
3.600 3.600 2.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.14548E-02 ppm1 3.408 ppm2 7.316 CV 1
ASSI { 408}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB2 ))
3.300 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.15019E-02 ppm1 4.437 ppm2 1.667 CV 1
ASSI { 410}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 89 and name HD1 ))
2.000 2.000 4.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20142E-01 ppm1 4.549 ppm2 3.758 CV 1
ASSI { 411}
(( segid " " and resid 88 and name HA ))
( segid " " and resid 88 and name HD1%)
2.600 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.54414E-02 ppm1 4.546 ppm2 0.746 CV 1
ASSI { 412}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG1 ))
2.800 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.80622E-02 ppm1 3.991 ppm2 2.282 CV 1
ASSI { 413}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB1 ))
2.200 2.200 3.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.11904E-01 ppm1 3.997 ppm2 1.910 CV 1
ASSI { 414}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HB1 ))
2.600 2.600 3.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.54432E-02 ppm1 3.996 ppm2 1.557 CV 1
ASSI { 415}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HB2 ))
5.000 3.100 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.35628E-03 ppm1 4.004 ppm2 0.874 CV 1
ASSI { 416}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 39 and name HN ))
3.200 1.300 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.18437E-02 ppm1 3.998 ppm2 7.720 CV 1
ASSI { 417}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HD1 ))
4.700 2.800 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.58684E-03 ppm1 3.739 ppm2 3.302 CV 1
ASSI { 418}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HB1 ))
2.400 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.57896E-02 ppm1 3.725 ppm2 1.899 CV 1
ASSI { 419}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HG1 ))
2.500 2.500 3.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.68489E-02 ppm1 3.734 ppm2 1.433 CV 1
ASSI { 420}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB2 ))
3.200 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13975E-02 ppm1 3.743 ppm2 1.073 CV 1
ASSI { 421}
(( segid " " and resid 95 and name HA ))
( segid " " and resid 98 and name HD1%)
3.800 1.800 1.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.14737E-02 ppm1 3.729 ppm2 0.582 CV 1
ASSI { 422}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 99 and name HA ))
3.700 3.700 2.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.13784E-02 ppm1 3.741 ppm2 4.152 CV 1
ASSI { 423}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 79 and name HD1%)
2.900 2.900 3.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.48549E-02 ppm1 4.119 ppm2 0.609 CV 1
ASSI { 424}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 68 and name HD1%)
3.400 3.400 2.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.19867E-02 ppm1 4.116 ppm2 0.165 CV 1
ASSI { 425}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 88 and name HD2%)
4.000 2.000 2.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.92462E-03 ppm1 4.192 ppm2 0.818 CV 1
ASSI { 426}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HB1 ))
3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 4.301 ppm2 2.941 CV 1
ASSI { 427}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB1 ))
2.700 0.900 0.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.38799E-02 ppm1 4.315 ppm2 1.910 CV 1
ASSI { 428}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.900 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.54121E-02 ppm1 4.307 ppm2 2.287 CV 1
ASSI { 429}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HD2 ))
4.200 2.200 1.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.58684E-03 ppm1 4.301 ppm2 3.481 CV 1
ASSI { 431}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 81 and name HN ))
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.31303E-02 ppm1 1.821 ppm2 9.352 CV 1
ASSI { 433}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 16 and name HD1%)
3.100 1.200 1.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.16551E-02 ppm1 1.180 ppm2 0.429 CV 1
ASSI { 434}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 16 and name HD2%)
2.600 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.86212E-02 ppm1 1.170 ppm2 0.852 CV 1
ASSI { 436}
(( segid " " and resid 52 and name HB2 ))
( segid " " and resid 52 and name HD2%)
2.400 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.14002E-01 ppm1 1.302 ppm2 0.475 CV 1
ASSI { 437}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 16 and name HD2%)
2.700 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.41878E-02 ppm1 2.269 ppm2 0.852 CV 1
ASSI { 438}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 16 and name HD1%)
3.700 1.700 1.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 2.273 ppm2 0.411 CV 1
ASSI { 442}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HN ))
3.700 1.700 1.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.67353E-03 ppm1 1.167 ppm2 8.187 CV 1
ASSI { 443}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 79 and name HD2%)
2.900 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.33044E-02 ppm1 1.144 ppm2 0.761 CV 1
ASSI { 444}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 79 and name HD1%)
3.000 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.43308E-02 ppm1 1.153 ppm2 0.553 CV 1
ASSI { 446}
( segid " " and resid 79 and name HD1%)
(( segid " " and resid 69 and name HA ))
2.600 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.50785E-02 ppm1 0.614 ppm2 5.017 CV 1
ASSI { 447}
( segid " " and resid 79 and name HD1%)
(( segid " " and resid 78 and name HN ))
3.300 3.300 2.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.63798E-03 ppm1 0.617 ppm2 6.265 CV 1
ASSI { 448}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 43 and name HZ3 ))
5.300 3.600 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.14229E-03 ppm1 0.160 ppm2 6.724 CV 1
ASSI { 449}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 42 and name HB1 ))
4.500 2.600 1.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.61177E-03 ppm1 0.182 ppm2 3.013 CV 1
ASSI { 450}
(( segid " " and resid 40 and name HG1 ))
(( segid " " and resid 43 and name HZ2 ))
3.600 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.75546E-03 ppm1 -0.824 ppm2 7.380 CV 1
ASSI { 452}
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 97 and name HD2%)
3.000 1.200 1.200 peak 452 spectrum 1 weight 0.10000E+01 volume 0.38268E-02 ppm1 1.169 ppm2 0.481 CV 1
ASSI { 453}
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 97 and name HD1%)
2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.25878E-02 ppm1 1.176 ppm2 -0.228 CV 1
ASSI { 454}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 97 and name HA ))
3.300 1.300 1.300 peak 454 spectrum 1 weight 0.10000E+01 volume 0.97044E-03 ppm1 1.186 ppm2 3.860 CV 1
ASSI { 455}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 93 and name HZ2 ))
4.400 2.400 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.57310E-03 ppm1 1.187 ppm2 7.428 CV 1
ASSI { 456}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 103 and name HN ))
3.300 3.300 2.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.67078E-03 ppm1 1.390 ppm2 7.692 CV 1
OR { 456}
( segid " " and resid 101 and name HE% )
(( segid " " and resid 77 and name HN ))
ASSI { 457}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HD1 ))
2.200 0.600 0.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.76370E-02 ppm1 5.345 ppm2 3.816 CV 1
ASSI { 458}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 67 and name HB1 ))
3.900 1.900 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 1.829 ppm2 2.833 CV 1
ASSI { 459}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 98 and name HD2%)
3.700 1.800 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.12765E-02 ppm1 3.991 ppm2 -0.273 CV 1
ASSI { 460}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HG2%)
2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.89089E-02 ppm1 3.988 ppm2 0.872 CV 1
ASSI { 461}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB ))
2.600 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.66455E-02 ppm1 3.989 ppm2 1.593 CV 1
ASSI { 462}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 3.987 ppm2 2.938 CV 1
ASSI { 463}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 25 and name HB ))
3.500 3.500 2.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.43619E-03 ppm1 4.320 ppm2 1.781 CV 1
ASSI { 464}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 92 and name HA ))
4.100 2.100 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.68526E-03 ppm1 4.516 ppm2 4.816 CV 1
ASSI { 466}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 94 and name HA1 ))
2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.32714E-02 ppm1 1.366 ppm2 5.003 CV 1
ASSI { 467}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HG2%)
3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.25713E-02 ppm1 4.112 ppm2 1.041 CV 1
ASSI { 468}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB1 ))
2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.38359E-02 ppm1 3.801 ppm2 1.503 CV 1
ASSI { 470}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 97 and name HD1%)
3.000 1.100 1.100 peak 470 spectrum 1 weight 0.10000E+01 volume 0.24192E-02 ppm1 3.798 ppm2 0.537 CV 1
ASSI { 472}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.500 1.500 1.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.83683E-03 ppm1 1.170 ppm2 5.278 CV 1
ASSI { 473}
(( segid " " and resid 94 and name HA2 ))
( segid " " and resid 97 and name HD2%)
4.600 2.700 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.18896E-03 ppm1 3.224 ppm2 -0.427 CV 1
ASSI { 474}
(( segid " " and resid 94 and name HA2 ))
( segid " " and resid 92 and name HD1%)
2.800 2.800 3.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 3.227 ppm2 0.784 CV 1
ASSI { 475}
(( segid " " and resid 94 and name HA2 ))
( segid " " and resid 32 and name HG2%)
3.000 1.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.25952E-02 ppm1 3.222 ppm2 1.338 CV 1
ASSI { 476}
(( segid " " and resid 94 and name HA2 ))
(( segid " " and resid 95 and name HB1 ))
3.300 3.300 2.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.86340E-02 ppm1 3.234 ppm2 1.877 CV 1
ASSI { 478}
(( segid " " and resid 94 and name HA2 ))
(( segid " " and resid 30 and name HA ))
3.800 1.800 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.19097E-02 ppm1 3.226 ppm2 4.306 CV 1
ASSI { 479}
(( segid " " and resid 80 and name HB ))
( segid " " and resid 97 and name HD2%)
4.700 2.700 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.60096E-03 ppm1 1.816 ppm2 -0.443 CV 1
ASSI { 480}
(( segid " " and resid 68 and name HB1 ))
( segid " " and resid 68 and name HD1%)
3.300 1.400 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.13960E-02 ppm1 1.000 ppm2 0.119 CV 1
ASSI { 482}
(( segid " " and resid 88 and name HB2 ))
( segid " " and resid 90 and name HG2%)
3.200 3.200 2.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.60664E-02 ppm1 1.281 ppm2 0.742 CV 1
ASSI { 483}
(( segid " " and resid 88 and name HB2 ))
( segid " " and resid 88 and name HD1%)
2.500 0.800 0.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.81337E-02 ppm1 1.281 ppm2 0.742 CV 1
ASSI { 484}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 87 and name HB1 ))
3.600 3.600 2.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 1.283 ppm2 2.869 CV 1
ASSI { 485}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 88 and name HA ))
2.800 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.22030E-02 ppm1 1.295 ppm2 4.544 CV 1
ASSI { 486}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 33 and name HB ))
3.700 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.71385E-03 ppm1 1.986 ppm2 1.441 CV 1
ASSI { 487}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 90 and name HG1%)
2.200 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.14484E-01 ppm1 1.979 ppm2 0.757 CV 1
ASSI { 488}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 33 and name HG2%)
2.500 2.500 3.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 1.978 ppm2 0.753 CV 1
ASSI { 489}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 43 and name HA ))
3.400 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.18206E-02 ppm1 4.660 ppm2 5.321 CV 1
ASSI { 490}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 45 and name HG2%)
3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 4.658 ppm2 0.491 CV 1
ASSI { 493}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.31102E-02 ppm1 6.167 ppm2 5.290 CV 1
ASSI { 494}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 16 and name HB2 ))
4.400 2.500 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.24595E-03 ppm1 6.163 ppm2 1.193 CV 1
ASSI { 495}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 22 and name HG2%)
4.700 2.800 1.300 peak 495 spectrum 1 weight 0.10000E+01 volume 0.26208E-03 ppm1 5.080 ppm2 1.065 CV 1
ASSI { 496}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 24 and name HA ))
2.300 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.71532E-02 ppm1 5.079 ppm2 4.946 CV 1
ASSI { 497}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.300 2.300 3.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.88705E-02 ppm1 4.832 ppm2 0.865 CV 1
ASSI { 498}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 36 and name HD1%)
3.400 3.400 2.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.28023E-02 ppm1 4.845 ppm2 0.726 CV 1
ASSI { 499}
(( segid " " and resid 98 and name HA ))
( segid " " and resid 25 and name HG2%)
5.300 3.500 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.18456E-03 ppm1 3.567 ppm2 0.943 CV 1
ASSI { 501}
(( segid " " and resid 98 and name HA ))
( segid " " and resid 101 and name HE% )
3.500 1.700 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.67903E-02 ppm1 3.563 ppm2 1.402 CV 1
ASSI { 502}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 67 and name HD% )
3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.77671E-03 ppm1 4.850 ppm2 6.909 CV 1
ASSI { 503}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 13 and name HA ))
2.400 0.700 0.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.42520E-02 ppm1 5.393 ppm2 5.203 CV 1
ASSI { 504}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 93 and name HA ))
3.400 1.500 1.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.97593E-03 ppm1 4.495 ppm2 5.019 CV 1
ASSI { 505}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 98 and name HD1%)
3.400 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 3.976 ppm2 0.519 CV 1
ASSI { 506}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 92 and name HD1%)
3.600 1.600 1.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 4.525 ppm2 0.699 CV 1
ASSI { 507}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 69 and name HG2%)
3.400 1.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.21461E-02 ppm1 4.431 ppm2 0.914 CV 1
ASSI { 508}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 35 and name HG1 ))
3.000 3.000 3.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.35372E-02 ppm1 4.545 ppm2 1.259 CV 1
ASSI { 509}
(( segid " " and resid 28 and name HA1 ))
(( segid " " and resid 95 and name HE ))
4.200 2.300 1.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.45562E-03 ppm1 4.141 ppm2 7.169 CV 1
ASSI { 510}
(( segid " " and resid 94 and name HA2 ))
( segid " " and resid 29 and name HB% )
4.400 2.400 1.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.97245E-03 ppm1 3.223 ppm2 1.325 CV 1
ASSI { 512}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 72 and name HA ))
3.600 1.700 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.59967E-03 ppm1 -0.449 ppm2 5.407 CV 1
ASSI { 513}
( segid " " and resid 97 and name HD2%)
(( segid " " and resid 78 and name HA2 ))
3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.27583E-02 ppm1 -0.481 ppm2 3.782 CV 1
ASSI { 514}
( segid " " and resid 97 and name HD2%)
( segid " " and resid 98 and name HD1%)
2.900 2.900 3.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.14438E-02 ppm1 -0.470 ppm2 0.519 CV 1
ASSI { 515}
(( segid " " and resid 40 and name HG1 ))
(( segid " " and resid 42 and name HB2 ))
4.800 2.900 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.49979E-03 ppm1 -0.829 ppm2 2.706 CV 1
ASSI { 516}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 39 and name HA ))
4.100 2.100 1.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 0.592 ppm2 4.648 CV 1
ASSI { 518}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HD2 ))
2.200 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.15679E-01 ppm1 4.099 ppm2 3.740 CV 1
ASSI { 519}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 27 and name HA ))
3.100 3.100 2.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.90482E-03 ppm1 -0.243 ppm2 3.716 CV 1
ASSI { 520}
( segid " " and resid 98 and name HD2%)
( segid " " and resid 29 and name HB% )
2.800 1.000 1.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.30332E-02 ppm1 -0.253 ppm2 1.343 CV 1
ASSI { 522}
( segid " " and resid 98 and name HD2%)
(( segid " " and resid 95 and name HA ))
3.500 1.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.86249E-03 ppm1 -0.243 ppm2 3.766 CV 1
ASSI { 523}
( segid " " and resid 98 and name HD1%)
( segid " " and resid 25 and name HG2%)
2.600 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.53296E-02 ppm1 0.554 ppm2 0.829 CV 1
ASSI { 524}
( segid " " and resid 98 and name HD1%)
( segid " " and resid 101 and name HE% )
2.600 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.69534E-02 ppm1 0.559 ppm2 1.408 CV 1
ASSI { 525}
( segid " " and resid 68 and name HD1%)
( segid " " and resid 16 and name HD1%)
3.400 1.400 1.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.19720E-02 ppm1 0.137 ppm2 0.374 CV 1
ASSI { 526}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 93 and name HZ3 ))
3.600 1.700 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 0.145 ppm2 6.615 CV 1
ASSI { 529}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 39 and name HD1 ))
3.400 1.500 1.500 peak 529 spectrum 1 weight 0.10000E+01 volume 0.10097E-02 ppm1 0.459 ppm2 6.638 CV 1
ASSI { 530}
( segid " " and resid 101 and name HE% )
( segid " " and resid 25 and name HD1%)
2.000 2.000 4.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.12659E-01 ppm1 1.387 ppm2 0.716 CV 1
ASSI { 531}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 15 and name HA ))
4.700 2.700 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.40925E-03 ppm1 1.756 ppm2 5.410 CV 1
ASSI { 532}
( segid " " and resid 52 and name HD2%)
(( segid " " and resid 50 and name HA ))
3.900 1.900 1.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.88356E-03 ppm1 0.401 ppm2 4.137 CV 1
ASSI { 533}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 92 and name HD1%)
2.200 2.200 3.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.17389E-01 ppm1 1.978 ppm2 0.762 CV 1
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