NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12289 |
1srk   |
6216 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.27896E-02 ppm1 4.521 ppm2 9.431 CV 1
ASSI { 3}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HG2%)
2.900 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.27399E-02 ppm1 4.520 ppm2 1.436 CV 1
ASSI { 4}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.23004E-02 ppm1 4.361 ppm2 9.402 CV 1
ASSI { 5}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
2.500 0.800 0.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.35231E-02 ppm1 3.425 ppm2 9.404 CV 1
ASSI { 6}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
2.400 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.39780E-02 ppm1 3.041 ppm2 9.405 CV 1
ASSI { 7}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.23104E-02 ppm1 4.352 ppm2 3.424 CV 1
ASSI { 8}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.49117E-02 ppm1 4.352 ppm2 3.042 CV 1
ASSI { 9}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
1.700 0.400 0.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10159E-01 ppm1 3.423 ppm2 3.043 CV 1
ASSI { 10}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.600 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.44177E-02 ppm1 4.209 ppm2 9.068 CV 1
ASSI { 11}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.13014E-02 ppm1 4.778 ppm2 9.063 CV 1
ASSI { 12}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.13358E-02 ppm1 3.383 ppm2 9.060 CV 1
ASSI { 13}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.28386E-02 ppm1 2.852 ppm2 9.061 CV 1
ASSI { 14}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.31959E-02 ppm1 4.771 ppm2 3.372 CV 1
ASSI { 15}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
2.500 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.31056E-02 ppm1 4.770 ppm2 2.842 CV 1
ASSI { 17}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.553 ppm2 8.851 CV 1
ASSI { 18}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23475E-02 ppm1 3.869 ppm2 8.834 CV 1
ASSI { 19}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HN ))
2.100 0.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.95995E-02 ppm1 1.158 ppm2 8.833 CV 1
ASSI { 20}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HN ))
3.500 1.500 1.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.40476E-02 ppm1 0.285 ppm2 8.834 CV 1
ASSI { 21}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
4.300 2.300 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.22224E-03 ppm1 4.499 ppm2 8.717 CV 1
ASSI { 22}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HN ))
3.900 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.85579E-03 ppm1 3.908 ppm2 8.716 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
3.300 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.13111E-02 ppm1 4.497 ppm2 3.914 CV 1
ASSI { 24}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.18667E-02 ppm1 4.617 ppm2 8.645 CV 1
ASSI { 25}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.11070E-01 ppm1 1.856 ppm2 8.645 CV 1
ASSI { 26}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 9 and name HN ))
2.500 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.69488E-02 ppm1 0.816 ppm2 8.643 CV 1
ASSI { 27}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 9 and name HN ))
4.200 2.200 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.13423E-02 ppm1 0.757 ppm2 8.645 CV 1
ASSI { 28}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.56602E-02 ppm1 4.676 ppm2 8.587 CV 1
ASSI { 29}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10371E-01 ppm1 2.716 ppm2 8.587 CV 1
OR { 29}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 30}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.42094E-02 ppm1 4.676 ppm2 2.716 CV 1
OR { 30}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 31}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 4 and name HN ))
2.600 0.800 0.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.33305E-02 ppm1 3.932 ppm2 8.573 CV 1
OR { 31}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 4 and name HN ))
ASSI { 34}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.62351E-02 ppm1 4.058 ppm2 8.558 CV 1
ASSI { 37}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.77012E-02 ppm1 4.054 ppm2 8.447 CV 1
ASSI { 38}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.71458E-02 ppm1 1.392 ppm2 8.449 CV 1
ASSI { 39}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HB% )
2.000 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.19932E-01 ppm1 4.055 ppm2 1.394 CV 1
ASSI { 40}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.31924E-02 ppm1 4.532 ppm2 8.438 CV 1
ASSI { 42}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
3.400 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.98735E-03 ppm1 1.468 ppm2 8.438 CV 1
ASSI { 43}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
4.100 2.100 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.92138E-03 ppm1 1.333 ppm2 8.439 CV 1
ASSI { 44}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HE ))
2.600 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.42868E-02 ppm1 2.984 ppm2 7.092 CV 1
OR { 44}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HE ))
ASSI { 47}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 4.438 ppm2 8.414 CV 1
ASSI { 48}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HN ))
2.700 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.35135E-02 ppm1 1.715 ppm2 8.414 CV 1
ASSI { 49}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.21950E-02 ppm1 1.656 ppm2 8.415 CV 1
OR { 49}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
ASSI { 50}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HN ))
5.500 3.800 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.93373E-04 ppm1 0.930 ppm2 8.414 CV 1
ASSI { 51}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HN ))
5.100 3.200 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.29131E-03 ppm1 0.870 ppm2 8.414 CV 1
ASSI { 52}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.28001E-02 ppm1 5.131 ppm2 8.395 CV 1
ASSI { 53}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.500 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.17726E-02 ppm1 3.517 ppm2 8.393 CV 1
ASSI { 54}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18019E-02 ppm1 2.836 ppm2 8.395 CV 1
ASSI { 55}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.600 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.38391E-02 ppm1 5.131 ppm2 3.519 CV 1
ASSI { 56}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.200 0.600 0.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.95108E-02 ppm1 5.131 ppm2 2.839 CV 1
ASSI { 57}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.300 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.34776E-02 ppm1 3.505 ppm2 8.317 CV 1
ASSI { 58}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.26368E-02 ppm1 3.407 ppm2 8.317 CV 1
ASSI { 59}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.29659E-02 ppm1 4.206 ppm2 8.315 CV 1
ASSI { 60}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.400 2.400 3.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.88319E-02 ppm1 1.737 ppm2 8.314 CV 1
ASSI { 61}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
4.300 2.300 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.24578E-03 ppm1 1.665 ppm2 8.314 CV 1
ASSI { 62}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HN ))
3.400 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 1.446 ppm2 8.314 CV 1
OR { 62}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HN ))
ASSI { 63}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HN ))
3.500 1.500 1.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.18324E-02 ppm1 1.360 ppm2 8.314 CV 1
OR { 63}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 5 and name HN ))
ASSI { 64}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.000 2.000 4.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13300E-01 ppm1 4.230 ppm2 8.267 CV 1
ASSI { 65}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 2.225 ppm2 8.267 CV 1
ASSI { 66}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.17860E-02 ppm1 1.621 ppm2 8.267 CV 1
ASSI { 67}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
3.000 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15214E-02 ppm1 5.116 ppm2 8.236 CV 1
ASSI { 68}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.74120E-02 ppm1 1.271 ppm2 8.236 CV 1
ASSI { 69}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HB% )
2.100 0.500 0.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.11382E-01 ppm1 5.112 ppm2 1.269 CV 1
ASSI { 70}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.39702E-02 ppm1 4.344 ppm2 8.098 CV 1
ASSI { 71}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
3.000 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.26581E-02 ppm1 4.260 ppm2 8.097 CV 1
ASSI { 72}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.31975E-02 ppm1 1.225 ppm2 8.097 CV 1
ASSI { 73}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.47456E-02 ppm1 4.418 ppm2 8.062 CV 1
ASSI { 74}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
3.300 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.20882E-02 ppm1 2.884 ppm2 8.061 CV 1
ASSI { 75}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
2.600 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23903E-02 ppm1 4.415 ppm2 2.885 CV 1
ASSI { 76}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
3.200 1.300 1.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.16390E-02 ppm1 4.264 ppm2 8.023 CV 1
ASSI { 77}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.800 1.800 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.72693E-03 ppm1 3.843 ppm2 8.024 CV 1
OR { 77}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 78}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB3 ))
3.300 1.400 1.400 peak 78 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 4.256 ppm2 3.836 CV 1
OR { 78}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 79}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
3.800 1.800 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.52823E-03 ppm1 4.319 ppm2 7.979 CV 1
ASSI { 80}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HN ))
2.900 1.100 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.27410E-02 ppm1 1.227 ppm2 7.980 CV 1
ASSI { 81}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HG2%)
2.900 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.38268E-02 ppm1 4.302 ppm2 1.224 CV 1
ASSI { 82}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 4.662 ppm2 7.900 CV 1
ASSI { 83}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.32117E-02 ppm1 3.021 ppm2 7.899 CV 1
ASSI { 84}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.300 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.38699E-02 ppm1 2.743 ppm2 7.899 CV 1
ASSI { 85}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
2.900 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.42020E-02 ppm1 4.663 ppm2 3.020 CV 1
ASSI { 86}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 4.661 ppm2 2.727 CV 1
ASSI { 87}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.48848E-02 ppm1 3.970 ppm2 7.840 CV 1
ASSI { 89}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.42981E-02 ppm1 1.770 ppm2 7.840 CV 1
ASSI { 90}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HN ))
2.600 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 1.688 ppm2 7.840 CV 1
ASSI { 91}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HN ))
3.700 1.700 1.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.11135E-02 ppm1 1.563 ppm2 7.842 CV 1
ASSI { 94}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HE ))
5.500 3.800 0.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24925E-03 ppm1 1.836 ppm2 7.289 CV 1
ASSI { 95}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HE ))
5.000 3.100 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.49504E-03 ppm1 1.767 ppm2 7.289 CV 1
ASSI { 96}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HE ))
3.900 1.900 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.27202E-03 ppm1 1.683 ppm2 7.290 CV 1
ASSI { 97}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HE ))
3.900 1.900 1.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.29285E-03 ppm1 1.561 ppm2 7.289 CV 1
ASSI { 99}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
3.300 1.400 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 4.155 ppm2 7.275 CV 1
ASSI { 109}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.27453E-02 ppm1 1.477 ppm2 7.036 CV 1
ASSI { 111}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HN ))
2.300 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.38738E-02 ppm1 1.578 ppm2 7.036 CV 1
ASSI { 112}
(( segid " " and resid 28 and name HE2 ))
( segid " " and resid 28 and name HZ% )
4.500 4.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.16051E-03 ppm1 2.986 ppm2 7.666 CV 1
OR { 112}
(( segid " " and resid 28 and name HE3 ))
( segid " " and resid 28 and name HZ% )
ASSI { 113}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.500 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.61425E-02 ppm1 4.090 ppm2 7.036 CV 1
ASSI { 114}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 28 and name HZ% )
6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.770 ppm2 7.664 CV 1
ASSI { 116}
(( segid " " and resid 28 and name HG3 ))
( segid " " and resid 28 and name HZ% )
6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.470 ppm2 7.664 CV 1
ASSI { 117}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.600 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 3.124 ppm2 7.586 CV 1
ASSI { 118}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.37268E-02 ppm1 3.021 ppm2 7.586 CV 1
ASSI { 120}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HE ))
3.700 1.700 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.78786E-03 ppm1 1.945 ppm2 7.391 CV 1
OR { 120}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HE ))
ASSI { 123}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HE ))
2.300 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.79869E-02 ppm1 3.232 ppm2 7.389 CV 1
OR { 123}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HE ))
ASSI { 124}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HE ))
6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.210 ppm2 7.386 CV 1
ASSI { 126}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.28946E-02 ppm1 4.788 ppm2 7.370 CV 1
ASSI { 127}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.20666E-02 ppm1 3.333 ppm2 7.370 CV 1
ASSI { 128}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.36705E-02 ppm1 4.788 ppm2 3.333 CV 1
ASSI { 129}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.600 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.35601E-02 ppm1 4.788 ppm2 3.244 CV 1
ASSI { 130}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HE ))
2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.44873E-02 ppm1 3.206 ppm2 7.291 CV 1
OR { 130}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HE ))
ASSI { 136}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.400 0.700 0.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.24543E-02 ppm1 4.713 ppm2 7.221 CV 1
ASSI { 137}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HN ))
3.900 1.900 1.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.57259E-03 ppm1 4.417 ppm2 7.224 CV 1
ASSI { 145}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HN ))
4.300 2.300 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.19871E-03 ppm1 3.904 ppm2 8.851 CV 1
ASSI { 146}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HN ))
4.600 2.600 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.42094E-03 ppm1 3.853 ppm2 8.851 CV 1
ASSI { 147}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
6.000 4.700 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.44756E-04 ppm1 4.555 ppm2 3.908 CV 1
ASSI { 149}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB ))
2.600 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.40050E-02 ppm1 3.863 ppm2 1.156 CV 1
ASSI { 150}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HG2%)
2.300 0.600 0.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10005E-01 ppm1 3.863 ppm2 0.277 CV 1
ASSI { 157}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HG2%)
2.000 0.500 0.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.11918E-01 ppm1 1.157 ppm2 0.277 CV 1
ASSI { 158}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB3 ))
3.400 1.400 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.85501E-03 ppm1 4.499 ppm2 3.881 CV 1
ASSI { 159}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HN ))
3.700 1.700 1.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.78286E-03 ppm1 3.879 ppm2 8.716 CV 1
ASSI { 160}
(( segid " " and resid 9 and name HB ))
( segid " " and resid 9 and name HG1%)
2.000 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.17008E-01 ppm1 1.852 ppm2 0.819 CV 1
ASSI { 161}
(( segid " " and resid 9 and name HB ))
( segid " " and resid 9 and name HG2%)
2.100 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.10873E-01 ppm1 1.852 ppm2 0.757 CV 1
ASSI { 162}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HG1%)
2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.76703E-02 ppm1 4.619 ppm2 0.822 CV 1
ASSI { 163}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HG2%)
2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.47921E-02 ppm1 4.617 ppm2 0.761 CV 1
ASSI { 164}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB ))
2.400 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.35902E-02 ppm1 4.619 ppm2 1.856 CV 1
ASSI { 165}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HB% )
2.100 0.600 0.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.15179E-01 ppm1 4.053 ppm2 1.304 CV 1
ASSI { 166}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 21 and name HN ))
2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.14704E-01 ppm1 1.301 ppm2 8.558 CV 1
ASSI { 169}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.500 1.500 1.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 4.532 ppm2 2.998 CV 1
OR { 169}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 170}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.37318E-02 ppm1 1.518 ppm2 8.438 CV 1
ASSI { 171}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HE ))
3.800 1.800 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.71958E-03 ppm1 1.520 ppm2 7.089 CV 1
ASSI { 172}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
3.800 1.800 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.35729E-03 ppm1 4.530 ppm2 1.522 CV 1
ASSI { 173}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.17887E-02 ppm1 4.529 ppm2 1.458 CV 1
ASSI { 174}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
4.200 2.300 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.35111E-03 ppm1 4.527 ppm2 1.334 CV 1
ASSI { 175}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HN ))
5.200 3.300 0.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.30404E-03 ppm1 2.987 ppm2 8.433 CV 1
OR { 175}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HN ))
ASSI { 176}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG ))
3.500 1.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.88589E-03 ppm1 4.434 ppm2 1.719 CV 1
ASSI { 177}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
3.200 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.12849E-02 ppm1 4.434 ppm2 1.653 CV 1
OR { 177}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 178}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD1%)
5.600 4.000 0.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.17015E-03 ppm1 4.434 ppm2 0.935 CV 1
ASSI { 179}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD2%)
3.600 1.600 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10649E-02 ppm1 4.434 ppm2 0.878 CV 1
ASSI { 180}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD1%)
3.100 1.200 1.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.18023E-02 ppm1 1.649 ppm2 0.936 CV 1
OR { 180}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD1%)
ASSI { 181}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD2%)
2.900 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.27530E-02 ppm1 1.649 ppm2 0.873 CV 1
OR { 181}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD2%)
ASSI { 182}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD1%)
3.400 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.73002E-03 ppm1 1.710 ppm2 0.936 CV 1
ASSI { 183}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD2%)
4.300 2.300 1.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.19523E-03 ppm1 1.710 ppm2 0.873 CV 1
ASSI { 184}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HB3 ))
1.600 0.300 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.14538E-01 ppm1 3.516 ppm2 2.830 CV 1
ASSI { 185}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.800 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.35246E-02 ppm1 4.232 ppm2 2.216 CV 1
ASSI { 186}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.32851E-02 ppm1 4.232 ppm2 1.611 CV 1
ASSI { 187}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.39432E-02 ppm1 4.231 ppm2 3.507 CV 1
ASSI { 188}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
2.100 0.600 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.84806E-02 ppm1 4.232 ppm2 3.410 CV 1
ASSI { 189}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD1%)
4.400 2.400 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16193E-02 ppm1 4.232 ppm2 0.877 CV 1
ASSI { 190}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD2%)
2.200 0.600 0.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.58107E-02 ppm1 4.223 ppm2 0.821 CV 1
ASSI { 191}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.48691E-02 ppm1 4.234 ppm2 8.315 CV 1
ASSI { 192}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD1%)
2.400 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.82492E-02 ppm1 2.214 ppm2 0.873 CV 1
ASSI { 193}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD2%)
3.900 1.900 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.18644E-02 ppm1 2.216 ppm2 0.816 CV 1
ASSI { 194}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HD1%)
2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.31785E-02 ppm1 1.609 ppm2 0.872 CV 1
ASSI { 195}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HD2%)
2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.32106E-02 ppm1 1.610 ppm2 0.815 CV 1
ASSI { 198}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HD2 ))
4.000 2.000 2.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 4.207 ppm2 3.230 CV 1
OR { 198}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HD3 ))
ASSI { 199}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
2.200 0.600 0.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.12594E-01 ppm1 4.206 ppm2 1.942 CV 1
OR { 199}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 200}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG2 ))
3.000 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.27614E-02 ppm1 4.205 ppm2 1.760 CV 1
ASSI { 201}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG3 ))
3.300 1.400 1.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.26897E-02 ppm1 4.214 ppm2 1.651 CV 1
ASSI { 202}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HD2 ))
3.900 1.900 1.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.55946E-03 ppm1 4.207 ppm2 1.445 CV 1
OR { 202}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HD3 ))
ASSI { 203}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG3 ))
3.800 1.800 1.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.80061E-03 ppm1 4.209 ppm2 1.360 CV 1
OR { 203}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 204}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HB3 ))
2.400 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.91172E-02 ppm1 3.232 ppm2 1.944 CV 1
OR { 204}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HB2 ))
OR { 204}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HB3 ))
OR { 204}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 205}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB ))
6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.344 ppm2 4.259 CV 1
ASSI { 206}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG2%)
2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.64126E-02 ppm1 4.341 ppm2 1.223 CV 1
ASSI { 207}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG2%)
2.800 1.000 1.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.33668E-02 ppm1 4.261 ppm2 1.223 CV 1
ASSI { 208}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HN ))
2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.53206E-02 ppm1 1.251 ppm2 7.221 CV 1
ASSI { 209}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HG2%)
2.300 0.600 0.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.59690E-02 ppm1 4.715 ppm2 1.251 CV 1
ASSI { 210}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 19 and name HG2%)
2.100 0.600 0.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.96034E-02 ppm1 4.420 ppm2 1.252 CV 1
ASSI { 211}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD2 ))
4.600 2.700 1.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 4.264 ppm2 3.618 CV 1
ASSI { 212}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD3 ))
4.600 2.700 1.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.25195E-03 ppm1 4.269 ppm2 3.560 CV 1
ASSI { 213}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.600 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.62234E-02 ppm1 4.271 ppm2 1.972 CV 1
ASSI { 214}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG2 ))
4.100 2.100 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11019E-02 ppm1 4.269 ppm2 1.712 CV 1
ASSI { 215}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG3 ))
5.000 3.200 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.41516E-03 ppm1 4.269 ppm2 1.535 CV 1
ASSI { 216}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
2.600 0.800 0.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.37365E-02 ppm1 4.269 ppm2 1.121 CV 1
ASSI { 217}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HB2 ))
4.300 2.300 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.81413E-03 ppm1 3.614 ppm2 1.974 CV 1
ASSI { 218}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB2 ))
4.500 2.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.74659E-03 ppm1 3.571 ppm2 1.974 CV 1
ASSI { 219}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG2 ))
2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.22583E-02 ppm1 3.616 ppm2 1.715 CV 1
ASSI { 220}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG3 ))
3.000 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.28668E-02 ppm1 3.616 ppm2 1.535 CV 1
ASSI { 221}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HB3 ))
4.500 2.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.59920E-03 ppm1 3.611 ppm2 1.120 CV 1
ASSI { 222}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG2 ))
3.100 1.200 1.200 peak 222 spectrum 1 weight 0.10000E+01 volume 0.24748E-02 ppm1 3.568 ppm2 1.715 CV 1
ASSI { 223}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG3 ))
2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.35030E-02 ppm1 3.558 ppm2 1.533 CV 1
ASSI { 224}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB3 ))
3.700 1.700 1.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.79678E-03 ppm1 3.573 ppm2 1.121 CV 1
ASSI { 225}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD2 ))
4.400 2.400 1.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14237E-02 ppm1 3.961 ppm2 3.206 CV 1
OR { 225}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 226}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
2.400 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.63086E-02 ppm1 3.964 ppm2 1.841 CV 1
ASSI { 227}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
2.500 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.50392E-02 ppm1 3.964 ppm2 1.782 CV 1
ASSI { 228}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG2 ))
3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.46495E-02 ppm1 3.964 ppm2 1.688 CV 1
ASSI { 229}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG3 ))
3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.38893E-02 ppm1 3.965 ppm2 1.566 CV 1
ASSI { 230}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HB2 ))
2.600 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.35837E-02 ppm1 3.202 ppm2 1.841 CV 1
OR { 230}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 231}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HB3 ))
2.900 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22730E-02 ppm1 3.202 ppm2 1.779 CV 1
OR { 231}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 232}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HG2 ))
2.500 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.38661E-02 ppm1 3.202 ppm2 1.686 CV 1
OR { 232}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 233}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG3 ))
2.500 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.41672E-02 ppm1 3.199 ppm2 1.566 CV 1
OR { 233}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 235}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.500 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.92486E-03 ppm1 2.925 ppm2 7.276 CV 1
ASSI { 236}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.19805E-02 ppm1 2.662 ppm2 7.276 CV 1
ASSI { 237}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.42712E-02 ppm1 4.152 ppm2 2.934 CV 1
ASSI { 238}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.600 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.79599E-02 ppm1 4.152 ppm2 2.668 CV 1
ASSI { 240}
(( segid " " and resid 28 and name HD2 ))
( segid " " and resid 28 and name HZ% )
6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.679 ppm2 7.662 CV 1
OR { 240}
(( segid " " and resid 28 and name HD3 ))
( segid " " and resid 28 and name HZ% )
ASSI { 243}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HN ))
4.500 2.600 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.79482E-03 ppm1 1.678 ppm2 7.034 CV 1
OR { 243}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 244}
(( segid " " and resid 28 and name HG2 ))
( segid " " and resid 28 and name HZ% )
6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.586 ppm2 7.664 CV 1
ASSI { 245}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 28 and name HZ% )
6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.898 ppm2 7.665 CV 1
ASSI { 246}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HE3 ))
6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.087 ppm2 2.976 CV 1
OR { 246}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HE2 ))
ASSI { 247}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.600 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.36165E-02 ppm1 4.087 ppm2 1.891 CV 1
ASSI { 248}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
2.600 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.34571E-02 ppm1 4.087 ppm2 1.765 CV 1
ASSI { 249}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD2 ))
4.600 2.600 1.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 4.087 ppm2 1.678 CV 1
OR { 249}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD3 ))
ASSI { 250}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG2 ))
3.500 1.600 1.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.21811E-02 ppm1 4.080 ppm2 1.578 CV 1
ASSI { 251}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG3 ))
3.500 1.500 1.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.21638E-02 ppm1 4.087 ppm2 1.467 CV 1
ASSI { 262}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HG3 ))
2.500 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.42981E-02 ppm1 1.594 ppm2 1.091 CV 1
OR { 262}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HG2 ))
OR { 262}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HG2 ))
OR { 262}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 263}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HB3 ))
3.200 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13983E-02 ppm1 1.594 ppm2 1.175 CV 1
OR { 263}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 264}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG3 ))
2.300 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.76242E-02 ppm1 1.391 ppm2 1.092 CV 1
OR { 264}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 265}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD3 ))
5.300 3.600 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.33529E-03 ppm1 3.059 ppm2 1.594 CV 1
OR { 265}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD2 ))
ASSI { 266}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 3.059 ppm2 1.391 CV 1
ASSI { 267}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
2.700 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.22656E-02 ppm1 3.059 ppm2 1.172 CV 1
ASSI { 268}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.46765E-02 ppm1 3.059 ppm2 1.091 CV 1
OR { 268}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 271}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.24223E-02 ppm1 3.124 ppm2 3.023 CV 1
ASSI { 272}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
1.800 0.400 0.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.10117E-01 ppm1 3.123 ppm2 2.543 CV 1
ASSI { 273}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
2.600 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.85462E-02 ppm1 3.024 ppm2 2.544 CV 1
ASSI { 274}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG ))
4.800 2.900 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11343E-03 ppm1 3.121 ppm2 1.879 CV 1
ASSI { 275}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG ))
4.400 2.400 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.27973E-03 ppm1 3.009 ppm2 1.879 CV 1
ASSI { 276}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG ))
4.700 2.700 1.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.17517E-03 ppm1 2.539 ppm2 1.879 CV 1
ASSI { 277}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.600 1.700 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.20075E-02 ppm1 3.246 ppm2 7.370 CV 1
ASSI { 278}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HE ))
5.100 3.300 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.23266E-03 ppm1 4.536 ppm2 7.091 CV 1
ASSI { 279}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HG2 ))
3.100 1.200 1.200 peak 279 spectrum 1 weight 0.10000E+01 volume 0.79752E-03 ppm1 1.965 ppm2 1.712 CV 1
ASSI { 280}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HG3 ))
3.200 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.15947E-02 ppm1 1.965 ppm2 1.529 CV 1
ASSI { 281}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HB3 ))
3.500 1.500 1.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 1.709 ppm2 1.121 CV 1
ASSI { 285}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.56524E-02 ppm1 3.896 ppm2 8.006 CV 1
ASSI { 286}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.45838E-02 ppm1 1.966 ppm2 8.009 CV 1
ASSI { 287}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB ))
2.300 0.600 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.82300E-02 ppm1 3.900 ppm2 1.964 CV 1
ASSI { 288}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG1%)
2.300 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.90172E-02 ppm1 3.899 ppm2 0.682 CV 1
ASSI { 289}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG2%)
3.000 1.100 1.100 peak 289 spectrum 1 weight 0.10000E+01 volume 0.57720E-02 ppm1 3.899 ppm2 0.541 CV 1
ASSI { 290}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG1%)
2.100 0.500 0.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.13037E-01 ppm1 1.962 ppm2 0.677 CV 1
ASSI { 291}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG2%)
2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.77399E-02 ppm1 1.962 ppm2 0.535 CV 1
ASSI { 292}
( segid " " and resid 29 and name HG1%)
( segid " " and resid 29 and name HG2%)
2.400 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.66248E-02 ppm1 0.677 ppm2 0.537 CV 1
ASSI { 293}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG ))
3.500 1.500 1.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.88859E-03 ppm1 4.232 ppm2 1.392 CV 1
ASSI { 294}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HG ))
2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.83883E-02 ppm1 2.214 ppm2 1.396 CV 1
ASSI { 295}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 14 and name HD1%)
2.300 0.600 0.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.90363E-02 ppm1 1.388 ppm2 0.872 CV 1
ASSI { 296}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 14 and name HD2%)
2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.28541E-02 ppm1 1.388 ppm2 0.815 CV 1
ASSI { 297}
(( segid " " and resid 12 and name HG13))
( segid " " and resid 12 and name HG2%)
2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.43638E-02 ppm1 1.072 ppm2 0.277 CV 1
ASSI { 298}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 12 and name HG2%)
2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.73541E-02 ppm1 0.679 ppm2 0.277 CV 1
ASSI { 299}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HD1%)
2.500 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.39280E-02 ppm1 3.863 ppm2 0.680 CV 1
ASSI { 300}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG13))
3.300 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.39780E-02 ppm1 3.863 ppm2 1.069 CV 1
ASSI { 301}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG12))
2.900 1.100 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.32680E-02 ppm1 3.863 ppm2 1.344 CV 1
ASSI { 304}
(( segid " " and resid 12 and name HG12))
( segid " " and resid 12 and name HD1%)
2.400 0.700 0.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.54249E-02 ppm1 1.341 ppm2 0.680 CV 1
ASSI { 305}
(( segid " " and resid 12 and name HG13))
( segid " " and resid 12 and name HD1%)
2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 1.066 ppm2 0.675 CV 1
ASSI { 307}
(( segid " " and resid 27 and name HG ))
( segid " " and resid 27 and name HD1%)
2.300 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.73811E-02 ppm1 2.003 ppm2 1.161 CV 1
OR { 307}
(( segid " " and resid 27 and name HG ))
( segid " " and resid 27 and name HD2%)
ASSI { 308}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HG ))
3.500 1.500 1.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 3.868 ppm2 2.001 CV 1
ASSI { 309}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.900 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.12108E-02 ppm1 3.868 ppm2 1.937 CV 1
ASSI { 310}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.700 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.45799E-02 ppm1 3.868 ppm2 1.757 CV 1
ASSI { 312}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HD% )
2.500 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.70880E-02 ppm1 4.777 ppm2 7.296 CV 1
ASSI { 313}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 17 and name HD% )
2.400 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.54519E-02 ppm1 3.384 ppm2 7.296 CV 1
ASSI { 314}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 17 and name HD% )
2.200 0.600 0.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.56411E-02 ppm1 2.853 ppm2 7.293 CV 1
ASSI { 315}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 17 and name HE% )
4.400 2.400 1.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.65169E-03 ppm1 2.854 ppm2 6.859 CV 1
ASSI { 316}
(( segid " " and resid 17 and name HZ ))
( segid " " and resid 17 and name HD% )
3.200 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.25805E-02 ppm1 6.174 ppm2 7.296 CV 1
ASSI { 317}
(( segid " " and resid 17 and name HZ ))
( segid " " and resid 17 and name HE% )
2.000 0.500 0.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.13890E-01 ppm1 6.177 ppm2 6.860 CV 1
ASSI { 318}
( segid " " and resid 17 and name HE% )
( segid " " and resid 17 and name HD% )
1.800 0.400 0.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.18381E-01 ppm1 6.863 ppm2 7.296 CV 1
ASSI { 320}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD% )
2.000 0.500 0.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.12906E-01 ppm1 4.671 ppm2 7.146 CV 1
ASSI { 322}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HD% )
2.300 0.600 0.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10298E-01 ppm1 2.729 ppm2 7.146 CV 1
ASSI { 323}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HE% )
4.100 2.100 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.11263E-02 ppm1 2.747 ppm2 7.421 CV 1
ASSI { 326}
( segid " " and resid 8 and name HD% )
( segid " " and resid 8 and name HE% )
1.800 0.400 0.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.22193E-01 ppm1 7.142 ppm2 7.418 CV 1
ASSI { 327}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 8 and name HZ ))
3.500 1.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.24605E-02 ppm1 7.142 ppm2 7.389 CV 1
ASSI { 329}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HE1 ))
4.400 2.500 1.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.27240E-03 ppm1 6.986 ppm2 7.995 CV 1
ASSI { 330}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.000 0.500 0.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.91520E-02 ppm1 5.111 ppm2 9.063 CV 1
ASSI { 331}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.52975E-02 ppm1 1.270 ppm2 9.059 CV 1
ASSI { 332}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
5.000 3.200 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.32140E-03 ppm1 8.240 ppm2 9.063 CV 1
ASSI { 333}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.900 1.900 1.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 3.505 ppm2 8.239 CV 1
ASSI { 334}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.21746E-02 ppm1 3.407 ppm2 8.239 CV 1
ASSI { 335}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.200 0.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.76551E-02 ppm1 4.234 ppm2 8.239 CV 1
ASSI { 336}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.100 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.96152E-02 ppm1 4.778 ppm2 9.432 CV 1
ASSI { 337}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
3.400 1.400 1.400 peak 337 spectrum 1 weight 0.10000E+01 volume 0.30180E-02 ppm1 3.388 ppm2 9.433 CV 1
ASSI { 338}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.31801E-02 ppm1 2.857 ppm2 9.432 CV 1
ASSI { 339}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HN ))
2.300 0.700 0.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.73580E-02 ppm1 1.443 ppm2 9.432 CV 1
ASSI { 340}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16306E-02 ppm1 4.523 ppm2 7.221 CV 1
ASSI { 341}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 19 and name HN ))
3.900 1.900 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14102E-02 ppm1 1.437 ppm2 7.222 CV 1
ASSI { 342}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.12378E-02 ppm1 7.222 ppm2 9.432 CV 1
ASSI { 343}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB ))
2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.30852E-02 ppm1 4.716 ppm2 4.419 CV 1
ASSI { 344}
(( segid " " and resid 12 and name HG12))
( segid " " and resid 12 and name HG2%)
3.200 1.300 1.300 peak 344 spectrum 1 weight 0.10000E+01 volume 0.49618E-02 ppm1 1.340 ppm2 0.277 CV 1
ASSI { 345}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HD1%)
2.900 1.100 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.74429E-02 ppm1 1.160 ppm2 0.675 CV 1
ASSI { 346}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HG13))
1.900 0.400 0.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.49348E-02 ppm1 1.341 ppm2 1.066 CV 1
ASSI { 347}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HN ))
3.500 1.500 1.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.26414E-02 ppm1 0.685 ppm2 8.834 CV 1
ASSI { 348}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HN ))
3.500 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.39354E-02 ppm1 1.068 ppm2 8.834 CV 1
ASSI { 349}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HN ))
2.200 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.46069E-02 ppm1 1.340 ppm2 8.834 CV 1
ASSI { 350}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 0.285 ppm2 8.393 CV 1
ASSI { 351}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 13 and name HN ))
5.300 3.500 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.76164E-03 ppm1 0.685 ppm2 8.393 CV 1
ASSI { 352}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 13 and name HN ))
5.200 3.400 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.61038E-03 ppm1 1.068 ppm2 8.393 CV 1
ASSI { 353}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 13 and name HN ))
2.300 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.25959E-02 ppm1 1.158 ppm2 8.393 CV 1
ASSI { 354}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 13 and name HN ))
5.200 3.400 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.40011E-03 ppm1 1.340 ppm2 8.393 CV 1
ASSI { 355}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
3.600 1.600 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 3.869 ppm2 8.393 CV 1
ASSI { 356}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.60616E-02 ppm1 8.395 ppm2 8.836 CV 1
ASSI { 357}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
4.600 2.600 1.400 peak 357 spectrum 1 weight 0.10000E+01 volume 0.49543E-03 ppm1 2.836 ppm2 8.267 CV 1
ASSI { 358}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 358 spectrum 1 weight 0.10000E+01 volume 0.72150E-03 ppm1 3.516 ppm2 8.267 CV 1
ASSI { 359}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 5.131 ppm2 8.267 CV 1
ASSI { 360}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.700 2.700 3.300 peak 360 spectrum 1 weight 0.10000E+01 volume 0.47073E-02 ppm1 8.269 ppm2 8.390 CV 1
ASSI { 361}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.300 2.300 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.41285E-03 ppm1 1.621 ppm2 8.319 CV 1
ASSI { 362}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
2.400 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.91020E-02 ppm1 1.940 ppm2 9.068 CV 1
OR { 362}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 363}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HN ))
2.400 0.700 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.43560E-02 ppm1 1.756 ppm2 9.068 CV 1
ASSI { 364}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.19631E-02 ppm1 1.652 ppm2 9.068 CV 1
ASSI { 365}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HE ))
3.500 1.600 1.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.91211E-03 ppm1 1.761 ppm2 7.391 CV 1
ASSI { 366}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HE ))
3.900 1.900 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.48422E-03 ppm1 1.657 ppm2 7.391 CV 1
ASSI { 367}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HG2 ))
3.000 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.15866E-02 ppm1 3.239 ppm2 1.751 CV 1
OR { 367}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HG2 ))
ASSI { 368}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HG3 ))
3.100 1.200 1.200 peak 368 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 3.237 ppm2 1.651 CV 1
OR { 368}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HG3 ))
ASSI { 369}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB3 ))
3.600 1.700 1.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.74968E-03 ppm1 4.210 ppm2 1.667 CV 1
ASSI { 370}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB2 ))
3.100 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.10977E-02 ppm1 4.215 ppm2 1.737 CV 1
ASSI { 371}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 11 and name HN ))
4.400 2.400 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.68101E-03 ppm1 3.227 ppm2 9.068 CV 1
OR { 371}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 372}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14639E-02 ppm1 1.940 ppm2 8.834 CV 1
OR { 372}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
ASSI { 373}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 12 and name HN ))
3.500 1.600 1.600 peak 373 spectrum 1 weight 0.10000E+01 volume 0.79060E-03 ppm1 1.652 ppm2 8.834 CV 1
ASSI { 374}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 12 and name HN ))
4.100 2.100 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.57646E-03 ppm1 1.756 ppm2 8.834 CV 1
ASSI { 375}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 375 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 4.209 ppm2 8.834 CV 1
ASSI { 376}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.25755E-02 ppm1 8.832 ppm2 9.068 CV 1
ASSI { 377}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.500 1.500 1.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.20704E-02 ppm1 3.041 ppm2 9.070 CV 1
ASSI { 378}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.000 0.500 0.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.12042E-01 ppm1 4.361 ppm2 9.069 CV 1
ASSI { 379}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
5.000 3.100 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.34880E-03 ppm1 3.425 ppm2 9.069 CV 1
ASSI { 380}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
4.600 2.600 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.64743E-03 ppm1 9.070 ppm2 9.404 CV 1
ASSI { 381}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 10 and name HN ))
4.700 2.700 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.58146E-03 ppm1 1.856 ppm2 9.404 CV 1
ASSI { 382}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 10 and name HN ))
3.300 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.24246E-02 ppm1 0.816 ppm2 9.404 CV 1
ASSI { 383}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 10 and name HN ))
2.500 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.37264E-02 ppm1 0.757 ppm2 9.404 CV 1
ASSI { 384}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
1.900 0.500 0.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.99622E-02 ppm1 4.617 ppm2 9.404 CV 1
ASSI { 385}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
5.100 3.300 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.25658E-03 ppm1 8.646 ppm2 9.404 CV 1
ASSI { 386}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
3.800 1.800 1.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.13501E-02 ppm1 2.743 ppm2 8.645 CV 1
ASSI { 387}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.500 1.600 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 3.021 ppm2 8.643 CV 1
ASSI { 388}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.100 1.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 4.662 ppm2 8.645 CV 1
ASSI { 389}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 8 and name HN ))
4.400 2.400 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.78673E-03 ppm1 0.816 ppm2 7.901 CV 1
ASSI { 390}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 8 and name HN ))
2.800 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28695E-02 ppm1 7.142 ppm2 7.900 CV 1
ASSI { 391}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 9 and name HN ))
3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.16819E-02 ppm1 7.142 ppm2 8.644 CV 1
ASSI { 392}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 8 and name HN ))
4.300 2.300 1.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.62777E-03 ppm1 7.410 ppm2 7.900 CV 1
ASSI { 393}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
3.700 1.700 1.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.77669E-03 ppm1 7.907 ppm2 8.644 CV 1
ASSI { 394}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 8 and name HD% )
4.500 2.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.42981E-03 ppm1 4.266 ppm2 7.146 CV 1
ASSI { 395}
(( segid " " and resid 7 and name HD2 ))
( segid " " and resid 8 and name HD% )
2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.22112E-02 ppm1 3.616 ppm2 7.146 CV 1
ASSI { 396}
(( segid " " and resid 7 and name HD3 ))
( segid " " and resid 8 and name HD% )
3.900 1.900 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.18906E-02 ppm1 3.576 ppm2 7.146 CV 1
ASSI { 397}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.600 0.900 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.42672E-02 ppm1 4.271 ppm2 7.900 CV 1
ASSI { 398}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.17382E-02 ppm1 3.614 ppm2 7.900 CV 1
ASSI { 399}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 8 and name HN ))
4.100 2.100 1.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.94760E-03 ppm1 3.573 ppm2 7.900 CV 1
ASSI { 400}
(( segid " " and resid 7 and name HD2 ))
( segid " " and resid 8 and name HE% )
3.500 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.73154E-03 ppm1 3.614 ppm2 7.418 CV 1
ASSI { 401}
(( segid " " and resid 7 and name HD3 ))
( segid " " and resid 8 and name HE% )
4.700 2.800 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.48230E-03 ppm1 3.573 ppm2 7.418 CV 1
ASSI { 402}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HN ))
4.200 2.200 1.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.59420E-03 ppm1 3.614 ppm2 8.438 CV 1
ASSI { 403}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 403 spectrum 1 weight 0.10000E+01 volume 0.73115E-03 ppm1 3.564 ppm2 8.438 CV 1
ASSI { 404}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD2 ))
2.200 2.200 3.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.90402E-02 ppm1 4.532 ppm2 3.621 CV 1
ASSI { 405}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD3 ))
2.300 2.300 3.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.91442E-02 ppm1 4.532 ppm2 3.561 CV 1
ASSI { 411}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HN ))
3.700 1.700 1.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 1.287 ppm2 8.439 CV 1
ASSI { 412}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG3 ))
4.100 2.100 1.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.25967E-03 ppm1 4.527 ppm2 1.285 CV 1
ASSI { 413}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HE ))
3.600 1.600 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.90015E-03 ppm1 1.457 ppm2 7.091 CV 1
ASSI { 414}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HE ))
3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.62852E-03 ppm1 1.340 ppm2 7.091 CV 1
ASSI { 415}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HE ))
4.100 2.100 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.53284E-03 ppm1 1.288 ppm2 7.091 CV 1
ASSI { 416}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB2 ))
3.000 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.21434E-02 ppm1 2.994 ppm2 1.522 CV 1
OR { 416}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 417}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB3 ))
3.600 1.600 1.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12393E-02 ppm1 2.990 ppm2 1.458 CV 1
OR { 417}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 418}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
2.700 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.32596E-02 ppm1 2.990 ppm2 1.334 CV 1
OR { 418}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 419}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG3 ))
2.900 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.18536E-02 ppm1 2.995 ppm2 1.285 CV 1
OR { 419}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG3 ))
ASSI { 421}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.100 0.500 0.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12617E-01 ppm1 4.206 ppm2 8.438 CV 1
ASSI { 422}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
3.700 1.700 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.20056E-02 ppm1 8.312 ppm2 8.438 CV 1
ASSI { 423}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HG3 ))
2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.39354E-02 ppm1 1.446 ppm2 1.360 CV 1
OR { 423}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HG2 ))
OR { 423}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HG2 ))
OR { 423}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HG3 ))
ASSI { 424}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HG2 ))
2.600 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.44255E-02 ppm1 1.737 ppm2 1.360 CV 1
OR { 424}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HG3 ))
ASSI { 425}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HB3 ))
1.800 0.400 0.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.84501E-02 ppm1 1.737 ppm2 1.665 CV 1
ASSI { 426}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 5 and name HN ))
2.300 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.11228E-01 ppm1 3.932 ppm2 8.314 CV 1
OR { 426}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 5 and name HN ))
ASSI { 427}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
3.500 1.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.15735E-02 ppm1 8.312 ppm2 8.573 CV 1
ASSI { 428}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
2.500 0.800 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.38777E-02 ppm1 4.494 ppm2 8.574 CV 1
ASSI { 429}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
3.100 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.19446E-02 ppm1 4.553 ppm2 8.718 CV 1
ASSI { 430}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.300 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.77321E-02 ppm1 4.346 ppm2 8.415 CV 1
ASSI { 431}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 34 and name HN ))
4.200 2.200 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.76051E-03 ppm1 4.260 ppm2 8.414 CV 1
ASSI { 432}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
3.500 1.600 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.17613E-02 ppm1 8.099 ppm2 8.415 CV 1
ASSI { 433}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11131E-02 ppm1 1.225 ppm2 8.414 CV 1
ASSI { 437}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.700 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.67792E-02 ppm1 4.676 ppm2 8.099 CV 1
ASSI { 438}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.26982E-02 ppm1 2.716 ppm2 8.099 CV 1
OR { 438}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
ASSI { 439}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.28799E-02 ppm1 8.099 ppm2 8.587 CV 1
ASSI { 440}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.40050E-02 ppm1 4.440 ppm2 8.025 CV 1
ASSI { 441}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
4.000 2.000 2.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.51279E-03 ppm1 1.656 ppm2 8.023 CV 1
OR { 441}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 442}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 8.022 ppm2 8.415 CV 1
ASSI { 443}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 32 and name HN ))
3.400 1.400 1.400 peak 443 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 1.227 ppm2 8.586 CV 1
ASSI { 444}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.900 1.000 1.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.38179E-02 ppm1 4.315 ppm2 8.586 CV 1
ASSI { 445}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
2.500 0.800 0.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.54171E-02 ppm1 7.980 ppm2 8.587 CV 1
ASSI { 446}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.600 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.50466E-02 ppm1 4.788 ppm2 7.980 CV 1
ASSI { 447}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.300 1.300 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 3.333 ppm2 7.982 CV 1
ASSI { 448}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 3.246 ppm2 7.978 CV 1
ASSI { 449}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
2.500 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.373 ppm2 7.982 CV 1
ASSI { 450}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HN ))
2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.24767E-02 ppm1 6.827 ppm2 7.373 CV 1
ASSI { 451}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HD2 ))
2.600 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.29223E-02 ppm1 3.333 ppm2 6.830 CV 1
ASSI { 452}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HD2 ))
3.100 1.200 1.200 peak 452 spectrum 1 weight 0.10000E+01 volume 0.49117E-02 ppm1 3.246 ppm2 6.831 CV 1
ASSI { 453}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD2 ))
4.200 2.200 1.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.98892E-03 ppm1 4.788 ppm2 6.830 CV 1
ASSI { 454}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HE1 ))
3.700 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.56332E-03 ppm1 6.826 ppm2 8.132 CV 1
ASSI { 455}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HE1 ))
4.700 2.800 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.58107E-03 ppm1 4.793 ppm2 8.132 CV 1
ASSI { 456}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.900 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.32133E-02 ppm1 3.889 ppm2 7.376 CV 1
ASSI { 457}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.49309E-02 ppm1 7.373 ppm2 8.006 CV 1
ASSI { 458}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 29 and name HN ))
2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.42172E-02 ppm1 0.682 ppm2 8.004 CV 1
ASSI { 459}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HN ))
2.500 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.40589E-02 ppm1 0.540 ppm2 8.004 CV 1
ASSI { 460}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 30 and name HN ))
4.000 2.000 2.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 1.966 ppm2 7.376 CV 1
ASSI { 461}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 30 and name HN ))
4.200 2.200 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.19847E-02 ppm1 0.682 ppm2 7.374 CV 1
ASSI { 462}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HN ))
2.500 0.800 0.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.28930E-02 ppm1 0.540 ppm2 7.374 CV 1
ASSI { 466}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 30 and name HD2 ))
4.300 2.300 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.11270E-02 ppm1 0.682 ppm2 6.830 CV 1
ASSI { 467}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HD2 ))
3.400 1.500 1.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.94647E-03 ppm1 0.540 ppm2 6.828 CV 1
ASSI { 468}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 30 and name HE1 ))
4.800 2.800 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.41168E-03 ppm1 0.682 ppm2 8.134 CV 1
ASSI { 469}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HE1 ))
3.000 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.14110E-02 ppm1 0.540 ppm2 8.132 CV 1
ASSI { 470}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 470 spectrum 1 weight 0.10000E+01 volume 0.17938E-02 ppm1 4.085 ppm2 8.009 CV 1
ASSI { 471}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HN ))
2.800 0.900 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23667E-02 ppm1 7.034 ppm2 8.006 CV 1
ASSI { 472}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HB3 ))
3.600 1.600 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.97887E-03 ppm1 2.981 ppm2 1.765 CV 1
OR { 472}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HB3 ))
ASSI { 473}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HD3 ))
2.600 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.39084E-02 ppm1 2.981 ppm2 1.676 CV 1
OR { 473}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HD2 ))
OR { 473}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HD2 ))
OR { 473}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HD3 ))
ASSI { 474}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG2 ))
3.300 1.400 1.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17826E-02 ppm1 1.889 ppm2 1.578 CV 1
ASSI { 475}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG3 ))
2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.37330E-02 ppm1 1.889 ppm2 1.467 CV 1
ASSI { 476}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
4.300 2.400 1.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.50044E-03 ppm1 1.889 ppm2 8.007 CV 1
ASSI { 477}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.13219E-02 ppm1 1.765 ppm2 8.007 CV 1
ASSI { 478}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 28 and name HN ))
4.600 2.700 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.64126E-03 ppm1 0.682 ppm2 7.036 CV 1
ASSI { 479}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 28 and name HN ))
4.500 2.500 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.45451E-03 ppm1 0.540 ppm2 7.036 CV 1
ASSI { 482}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.46456E-02 ppm1 3.065 ppm2 8.196 CV 1
ASSI { 484}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.56254E-02 ppm1 1.834 ppm2 7.840 CV 1
ASSI { 485}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.43599E-02 ppm1 7.276 ppm2 7.838 CV 1
ASSI { 486}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.200 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.51549E-02 ppm1 1.395 ppm2 8.196 CV 1
ASSI { 487}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
4.000 2.000 2.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 1.167 ppm2 8.196 CV 1
ASSI { 488}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.20704E-02 ppm1 1.095 ppm2 8.196 CV 1
OR { 488}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 489}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HN ))
4.600 2.600 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.59033E-03 ppm1 1.598 ppm2 8.196 CV 1
OR { 489}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 492}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB3 ))
1.800 0.400 0.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.96847E-02 ppm1 1.391 ppm2 1.172 CV 1
ASSI { 493}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG2 ))
2.500 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.39741E-02 ppm1 1.172 ppm2 1.092 CV 1
OR { 493}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 496}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 20 and name HN ))
3.800 1.800 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.17887E-02 ppm1 1.251 ppm2 8.193 CV 1
ASSI { 497}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 20 and name HN ))
2.200 0.600 0.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.77321E-02 ppm1 4.418 ppm2 8.196 CV 1
ASSI { 498}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
1.800 0.400 0.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.12339E-01 ppm1 4.713 ppm2 8.196 CV 1
ASSI { 499}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
3.300 1.300 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 3.060 ppm2 8.557 CV 1
ASSI { 500}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.300 0.700 0.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.50313E-02 ppm1 1.395 ppm2 8.557 CV 1
ASSI { 501}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.500 1.600 1.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.15777E-02 ppm1 1.167 ppm2 8.556 CV 1
ASSI { 502}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
4.200 2.200 1.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.94995E-03 ppm1 1.095 ppm2 8.557 CV 1
OR { 502}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 503}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.300 0.700 0.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.40550E-02 ppm1 8.194 ppm2 8.558 CV 1
ASSI { 504}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HN ))
3.600 1.600 1.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.23494E-02 ppm1 4.058 ppm2 8.193 CV 1
ASSI { 505}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.33738E-02 ppm1 1.301 ppm2 8.061 CV 1
ASSI { 506}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
3.300 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.16668E-02 ppm1 4.058 ppm2 8.062 CV 1
ASSI { 507}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.25932E-02 ppm1 8.062 ppm2 8.558 CV 1
ASSI { 511}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.15715E-02 ppm1 2.884 ppm2 7.585 CV 1
ASSI { 512}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.17749E-02 ppm1 4.418 ppm2 7.585 CV 1
ASSI { 513}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.35984E-02 ppm1 7.585 ppm2 8.062 CV 1
ASSI { 514}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.29756E-02 ppm1 3.124 ppm2 8.449 CV 1
ASSI { 515}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
3.300 1.400 1.400 peak 515 spectrum 1 weight 0.10000E+01 volume 0.13863E-02 ppm1 3.021 ppm2 8.449 CV 1
ASSI { 516}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.15665E-03 ppm1 1.390 ppm2 7.587 CV 1
ASSI { 517}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.49852E-02 ppm1 7.585 ppm2 8.451 CV 1
ASSI { 518}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.400 1.500 1.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 4.054 ppm2 7.840 CV 1
ASSI { 519}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 25 and name HN ))
2.400 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.63200E-02 ppm1 1.392 ppm2 7.840 CV 1
ASSI { 520}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.600 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.43407E-02 ppm1 7.842 ppm2 8.451 CV 1
ASSI { 523}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 3.970 ppm2 7.276 CV 1
ASSI { 524}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
4.200 2.200 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.55058E-03 ppm1 1.834 ppm2 7.275 CV 1
ASSI { 525}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.76973E-03 ppm1 1.770 ppm2 7.276 CV 1
ASSI { 526}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HN ))
4.700 2.700 1.300 peak 526 spectrum 1 weight 0.10000E+01 volume 0.57954E-03 ppm1 3.206 ppm2 7.838 CV 1
OR { 526}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 527}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 25 and name HN ))
4.600 2.600 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.68871E-03 ppm1 2.925 ppm2 7.840 CV 1
ASSI { 528}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD2 ))
4.600 2.600 1.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.50814E-03 ppm1 4.153 ppm2 6.983 CV 1
ASSI { 529}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
3.400 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.30940E-02 ppm1 2.925 ppm2 6.986 CV 1
ASSI { 530}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
2.900 1.000 1.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16965E-02 ppm1 2.662 ppm2 6.984 CV 1
ASSI { 531}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HE1 ))
5.100 3.300 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.33722E-03 ppm1 2.662 ppm2 7.994 CV 1
ASSI { 532}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.500 0.800 0.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.41672E-02 ppm1 3.865 ppm2 8.190 CV 1
ASSI { 533}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 3.865 ppm2 7.033 CV 1
ASSI { 534}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20303E-02 ppm1 7.032 ppm2 8.191 CV 1
ASSI { 535}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.43290E-02 ppm1 7.276 ppm2 8.191 CV 1
ASSI { 538}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
3.600 1.600 1.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.87702E-03 ppm1 4.155 ppm2 8.192 CV 1
ASSI { 539}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.600 1.600 1.600 peak 539 spectrum 1 weight 0.10000E+01 volume 0.27445E-02 ppm1 2.931 ppm2 8.192 CV 1
ASSI { 540}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.900 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 2.666 ppm2 8.191 CV 1
ASSI { 542}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HD1%)
2.500 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 3.868 ppm2 1.159 CV 1
OR { 542}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HD2%)
ASSI { 544}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HB3 ))
3.000 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 2.004 ppm2 1.759 CV 1
ASSI { 545}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HB3 ))
1.700 0.400 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11112E-01 ppm1 1.943 ppm2 1.759 CV 1
ASSI { 546}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HD1%)
2.300 0.700 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.77786E-02 ppm1 1.941 ppm2 1.159 CV 1
OR { 546}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HD2%)
ASSI { 547}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 27 and name HD2%)
2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.71341E-02 ppm1 1.761 ppm2 1.160 CV 1
OR { 547}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 27 and name HD1%)
ASSI { 548}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HG2 ))
2.900 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.23741E-02 ppm1 2.962 ppm2 1.091 CV 1
OR { 548}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HG2 ))
OR { 548}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HG3 ))
OR { 548}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 549}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HB3 ))
4.300 2.300 1.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.45569E-03 ppm1 2.964 ppm2 1.172 CV 1
OR { 549}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 550}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HD2 ))
2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.21541E-02 ppm1 2.960 ppm2 1.594 CV 1
OR { 550}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HD3 ))
OR { 550}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HD2 ))
OR { 550}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HD3 ))
ASSI { 551}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HB2 ))
3.800 1.800 1.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.15164E-02 ppm1 2.962 ppm2 1.391 CV 1
OR { 551}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 552}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 20 and name HZ% )
6.000 4.500 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.095 ppm2 7.675 CV 1
OR { 552}
(( segid " " and resid 20 and name HG3 ))
( segid " " and resid 20 and name HZ% )
ASSI { 553}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 20 and name HZ% )
6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.167 ppm2 7.674 CV 1
ASSI { 554}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 20 and name HZ% )
6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.395 ppm2 7.674 CV 1
ASSI { 555}
(( segid " " and resid 20 and name HD3 ))
( segid " " and resid 20 and name HZ% )
6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.598 ppm2 7.672 CV 1
OR { 555}
(( segid " " and resid 20 and name HD2 ))
( segid " " and resid 20 and name HZ% )
ASSI { 556}
(( segid " " and resid 20 and name HE2 ))
( segid " " and resid 20 and name HZ% )
4.300 4.300 1.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.19600E-03 ppm1 2.963 ppm2 7.672 CV 1
OR { 556}
(( segid " " and resid 20 and name HE3 ))
( segid " " and resid 20 and name HZ% )
ASSI { 558}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
1.500 0.300 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.33614E-01 ppm1 2.214 ppm2 1.623 CV 1
ASSI { 559}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.400 0.700 0.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.49966E-02 ppm1 2.542 ppm2 7.586 CV 1
ASSI { 560}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
1.900 0.500 0.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.50235E-02 ppm1 2.936 ppm2 2.668 CV 1
ASSI { 563}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 17 and name HZ ))
2.900 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.28066E-02 ppm1 3.409 ppm2 6.180 CV 1
ASSI { 564}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18899E-02 ppm1 2.542 ppm2 8.452 CV 1
ASSI { 566}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HD21))
3.400 1.400 1.400 peak 566 spectrum 1 weight 0.10000E+01 volume 0.13284E-02 ppm1 2.884 ppm2 7.520 CV 1
ASSI { 567}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HD22))
3.300 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.35331E-02 ppm1 2.884 ppm2 7.222 CV 1
ASSI { 568}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD21))
3.900 1.900 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.11332E-02 ppm1 4.418 ppm2 7.518 CV 1
ASSI { 569}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD22))
4.000 2.000 2.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.96113E-03 ppm1 4.418 ppm2 7.219 CV 1
ASSI { 570}
(( segid " " and resid 22 and name HD22))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 7.221 ppm2 8.062 CV 1
ASSI { 571}
(( segid " " and resid 22 and name HD22))
(( segid " " and resid 22 and name HD21))
1.500 0.300 0.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.21152E-01 ppm1 7.221 ppm2 7.518 CV 1
ASSI { 572}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
4.400 2.500 1.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.31793E-03 ppm1 8.576 ppm2 8.717 CV 1
ASSI { 573}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 4 and name HN ))
5.000 3.100 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15781E-03 ppm1 3.879 ppm2 8.574 CV 1
ASSI { 574}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 4 and name HN ))
3.600 1.600 1.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.65631E-03 ppm1 3.906 ppm2 8.573 CV 1
ASSI { 575}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 6 and name HN ))
4.700 2.800 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 3.932 ppm2 8.438 CV 1
OR { 575}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 6 and name HN ))
ASSI { 576}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 8 and name HN ))
6.000 5.600 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.81796E-04 ppm1 1.446 ppm2 7.901 CV 1
OR { 576}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 8 and name HN ))
ASSI { 577}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 8 and name HN ))
6.000 6.000 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.44373E-04 ppm1 1.360 ppm2 7.901 CV 1
OR { 577}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 578}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 15 and name HN ))
5.100 3.200 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.37079E-03 ppm1 5.131 ppm2 8.317 CV 1
ASSI { 580}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 15 and name HN ))
5.300 3.500 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29671E-03 ppm1 2.836 ppm2 8.319 CV 1
ASSI { 581}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 15 and name HN ))
5.100 3.300 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.34803E-03 ppm1 1.271 ppm2 8.319 CV 1
ASSI { 582}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 15 and name HN ))
5.900 4.400 0.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.13466E-03 ppm1 0.816 ppm2 8.318 CV 1
ASSI { 583}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 14 and name HN ))
4.800 2.900 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.59651E-03 ppm1 0.816 ppm2 8.266 CV 1
ASSI { 584}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 15 and name HN ))
4.900 3.000 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.13543E-03 ppm1 0.757 ppm2 8.317 CV 1
ASSI { 585}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 14 and name HN ))
4.300 2.300 1.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.93025E-03 ppm1 0.757 ppm2 8.266 CV 1
ASSI { 586}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
4.300 2.300 1.700 peak 586 spectrum 1 weight 0.10000E+01 volume 0.41672E-03 ppm1 2.225 ppm2 8.317 CV 1
ASSI { 587}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.300 0.700 0.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.18131E-02 ppm1 3.041 ppm2 8.318 CV 1
ASSI { 588}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.600 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 3.041 ppm2 8.265 CV 1
ASSI { 589}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.400 1.400 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 3.425 ppm2 8.317 CV 1
ASSI { 590}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 14 and name HN ))
4.800 2.900 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.10298E-02 ppm1 3.425 ppm2 8.266 CV 1
ASSI { 591}
( segid " " and resid 17 and name HE% )
(( segid " " and resid 15 and name HN ))
4.900 3.000 1.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.36770E-03 ppm1 6.863 ppm2 8.317 CV 1
ASSI { 593}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 10 and name HN ))
4.000 2.000 2.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.36578E-03 ppm1 8.317 ppm2 9.404 CV 1
ASSI { 594}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 10 and name HN ))
5.100 3.200 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.46108E-03 ppm1 8.266 ppm2 9.404 CV 1
ASSI { 595}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HN ))
3.300 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 1.737 ppm2 8.438 CV 1
ASSI { 596}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 6 and name HN ))
4.000 2.000 2.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.61503E-03 ppm1 1.665 ppm2 8.438 CV 1
ASSI { 597}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.14523E-02 ppm1 7.907 ppm2 9.062 CV 1
ASSI { 598}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 17 and name HN ))
5.200 3.400 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.18868E-03 ppm1 7.142 ppm2 9.060 CV 1
ASSI { 599}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 20 and name HN ))
3.200 1.300 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.80217E-03 ppm1 7.142 ppm2 8.196 CV 1
ASSI { 600}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.29764E-02 ppm1 7.409 ppm2 8.196 CV 1
ASSI { 601}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 8 and name HE% )
2.000 0.500 0.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.62777E-02 ppm1 4.713 ppm2 7.420 CV 1
ASSI { 602}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 8 and name HE% )
6.000 4.700 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.15549E-03 ppm1 4.266 ppm2 7.420 CV 1
ASSI { 606}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.600 1.700 1.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.19450E-02 ppm1 1.119 ppm2 7.900 CV 1
ASSI { 607}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
4.000 2.000 2.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.61851E-03 ppm1 1.970 ppm2 7.904 CV 1
ASSI { 608}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 8 and name HN ))
4.200 2.200 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.34841E-03 ppm1 1.709 ppm2 7.901 CV 1
ASSI { 609}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 8 and name HN ))
4.300 2.300 1.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 1.527 ppm2 7.900 CV 1
ASSI { 610}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 8 and name HE% )
4.500 2.600 1.500 peak 610 spectrum 1 weight 0.10000E+01 volume 0.42981E-03 ppm1 1.970 ppm2 7.419 CV 1
ASSI { 611}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 8 and name HD% )
3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.46843E-03 ppm1 1.970 ppm2 7.146 CV 1
ASSI { 612}
(( segid " " and resid 7 and name HG2 ))
( segid " " and resid 8 and name HE% )
3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.56794E-03 ppm1 1.707 ppm2 7.420 CV 1
ASSI { 613}
(( segid " " and resid 7 and name HG2 ))
( segid " " and resid 8 and name HD% )
2.900 1.100 1.100 peak 613 spectrum 1 weight 0.10000E+01 volume 0.92833E-03 ppm1 1.707 ppm2 7.146 CV 1
ASSI { 614}
(( segid " " and resid 7 and name HG3 ))
( segid " " and resid 8 and name HE% )
3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16074E-02 ppm1 1.531 ppm2 7.420 CV 1
ASSI { 615}
(( segid " " and resid 7 and name HG3 ))
( segid " " and resid 8 and name HD% )
3.800 1.800 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.26121E-02 ppm1 1.531 ppm2 7.145 CV 1
ASSI { 616}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 8 and name HE% )
4.000 2.000 2.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.25712E-02 ppm1 1.119 ppm2 7.421 CV 1
ASSI { 617}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 8 and name HD% )
3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.29964E-02 ppm1 1.119 ppm2 7.148 CV 1
ASSI { 618}
( segid " " and resid 9 and name HG1%)
( segid " " and resid 8 and name HD% )
6.000 4.900 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.13350E-03 ppm1 0.816 ppm2 7.148 CV 1
ASSI { 619}
( segid " " and resid 19 and name HG2%)
( segid " " and resid 8 and name HE% )
4.300 2.300 1.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.86005E-03 ppm1 1.251 ppm2 7.420 CV 1
ASSI { 621}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 11 and name HN ))
3.300 1.400 1.400 peak 621 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 0.816 ppm2 9.067 CV 1
ASSI { 622}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 11 and name HN ))
4.500 2.500 1.500 peak 622 spectrum 1 weight 0.10000E+01 volume 0.69027E-03 ppm1 0.757 ppm2 9.066 CV 1
ASSI { 627}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 9 and name HG1%)
5.100 3.200 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.39241E-03 ppm1 3.418 ppm2 0.822 CV 1
ASSI { 628}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 9 and name HG2%)
4.900 2.900 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.61155E-03 ppm1 3.421 ppm2 0.761 CV 1
ASSI { 629}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 9 and name HG2%)
4.600 2.600 1.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.31562E-03 ppm1 3.042 ppm2 0.761 CV 1
ASSI { 630}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 9 and name HG1%)
4.900 3.000 1.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.23691E-03 ppm1 3.044 ppm2 0.822 CV 1
ASSI { 634}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 10 and name HN ))
3.400 1.400 1.400 peak 634 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 5.110 ppm2 9.406 CV 1
ASSI { 635}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 17 and name HN ))
2.300 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.52318E-02 ppm1 7.290 ppm2 9.060 CV 1
ASSI { 636}
( segid " " and resid 17 and name HE% )
(( segid " " and resid 17 and name HN ))
4.400 2.400 1.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.62043E-03 ppm1 6.849 ppm2 9.060 CV 1
ASSI { 637}
( segid " " and resid 17 and name HE% )
(( segid " " and resid 10 and name HN ))
3.700 1.700 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.74198E-03 ppm1 6.849 ppm2 9.405 CV 1
ASSI { 638}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 10 and name HN ))
3.600 1.600 1.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.49270E-03 ppm1 7.290 ppm2 9.405 CV 1
ASSI { 639}
(( segid " " and resid 17 and name HZ ))
(( segid " " and resid 26 and name HD2 ))
3.800 1.800 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.98004E-03 ppm1 6.177 ppm2 6.984 CV 1
ASSI { 640}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 10 and name HN ))
2.900 2.900 3.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.63547E-03 ppm1 6.985 ppm2 9.405 CV 1
ASSI { 641}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
4.000 2.000 2.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.84305E-03 ppm1 4.359 ppm2 8.834 CV 1
ASSI { 642}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 26 and name HD2 ))
3.300 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 4.355 ppm2 6.983 CV 1
ASSI { 643}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
3.000 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 3.425 ppm2 6.983 CV 1
ASSI { 644}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
2.700 2.700 3.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10044E-01 ppm1 3.043 ppm2 6.983 CV 1
ASSI { 646}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 17 and name HE% )
3.200 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.70841E-03 ppm1 3.425 ppm2 6.862 CV 1
ASSI { 647}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 17 and name HE% )
3.200 1.300 1.300 peak 647 spectrum 1 weight 0.10000E+01 volume 0.58107E-02 ppm1 3.043 ppm2 6.862 CV 1
ASSI { 648}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HB2 ))
4.700 2.700 1.300 peak 648 spectrum 1 weight 0.10000E+01 volume 0.95765E-03 ppm1 4.357 ppm2 1.942 CV 1
OR { 648}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 649}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HG2 ))
4.400 2.500 1.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.78943E-03 ppm1 4.353 ppm2 1.751 CV 1
ASSI { 650}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HG3 ))
5.300 3.600 0.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.35497E-03 ppm1 4.355 ppm2 1.651 CV 1
ASSI { 651}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 9 and name HG1%)
6.000 5.000 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.35497E-04 ppm1 4.353 ppm2 0.822 CV 1
ASSI { 652}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 9 and name HG2%)
4.900 3.000 1.100 peak 652 spectrum 1 weight 0.10000E+01 volume 0.38661E-03 ppm1 4.355 ppm2 0.761 CV 1
ASSI { 662}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 12 and name HN ))
5.000 3.100 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.15935E-03 ppm1 3.425 ppm2 8.834 CV 1
ASSI { 663}
(( segid " " and resid 11 and name HD2 ))
(( segid " " and resid 12 and name HN ))
3.800 1.800 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.13119E-03 ppm1 3.227 ppm2 8.834 CV 1
OR { 663}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 12 and name HN ))
ASSI { 664}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HN ))
3.600 3.600 2.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.266 ppm2 8.834 CV 1
ASSI { 665}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 14 and name HN ))
5.500 3.800 0.500 peak 665 spectrum 1 weight 0.10000E+01 volume 0.30829E-03 ppm1 0.285 ppm2 8.267 CV 1
ASSI { 666}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 30 and name HE1 ))
2.800 1.000 1.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.31770E-02 ppm1 0.285 ppm2 8.132 CV 1
ASSI { 667}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 30 and name HD2 ))
3.400 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 0.285 ppm2 6.830 CV 1
ASSI { 670}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 30 and name HD2 ))
4.800 2.800 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.73733E-03 ppm1 0.685 ppm2 6.829 CV 1
ASSI { 671}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 30 and name HD2 ))
3.500 1.500 1.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.46608E-03 ppm1 1.068 ppm2 6.829 CV 1
ASSI { 672}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 30 and name HD2 ))
2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.36975E-02 ppm1 1.174 ppm2 6.829 CV 1
ASSI { 673}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 30 and name HD2 ))
4.200 2.200 1.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.50775E-03 ppm1 1.340 ppm2 6.826 CV 1
ASSI { 675}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 26 and name HD2 ))
4.700 2.800 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.29054E-03 ppm1 0.682 ppm2 6.986 CV 1
ASSI { 676}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 26 and name HD2 ))
4.000 2.000 2.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.37349E-03 ppm1 0.540 ppm2 6.985 CV 1
ASSI { 677}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.900 1.900 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.51279E-03 ppm1 1.167 ppm2 8.447 CV 1
ASSI { 678}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 24 and name HN ))
5.500 3.800 0.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.18404E-03 ppm1 1.095 ppm2 8.448 CV 1
OR { 678}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 679}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 27 and name HN ))
3.700 1.700 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.15472E-03 ppm1 0.682 ppm2 8.191 CV 1
ASSI { 680}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 27 and name HN ))
3.800 1.800 1.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13119E-03 ppm1 0.540 ppm2 8.190 CV 1
ASSI { 683}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 30 and name HE1 ))
4.400 2.400 1.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.18061E-02 ppm1 5.130 ppm2 8.132 CV 1
ASSI { 684}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 22 and name HD21))
3.100 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.99044E-03 ppm1 5.508 ppm2 7.521 CV 1
ASSI { 685}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 23 and name HN ))
5.500 3.800 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.22880E-03 ppm1 5.508 ppm2 7.586 CV 1
ASSI { 686}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 22 and name HD21))
3.400 1.500 1.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14369E-02 ppm1 1.251 ppm2 7.520 CV 1
ASSI { 687}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 23 and name HN ))
6.000 4.900 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.11266E-03 ppm1 1.251 ppm2 7.586 CV 1
ASSI { 689}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.33850E-02 ppm1 5.508 ppm2 8.064 CV 1
ASSI { 690}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 20 and name HN ))
4.700 2.700 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.23382E-03 ppm1 5.508 ppm2 8.194 CV 1
ASSI { 691}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 21 and name HN ))
3.300 1.400 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.79752E-03 ppm1 5.508 ppm2 8.562 CV 1
ASSI { 695}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 21 and name HN ))
3.700 1.700 1.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.15125E-03 ppm1 1.598 ppm2 8.560 CV 1
OR { 695}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 696}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HN ))
5.600 3.900 0.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12462E-03 ppm1 4.713 ppm2 8.064 CV 1
ASSI { 697}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 21 and name HN ))
3.700 1.700 1.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 4.713 ppm2 8.558 CV 1
ASSI { 699}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HN ))
3.600 1.600 1.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.17864E-03 ppm1 8.395 ppm2 9.069 CV 1
ASSI { 700}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HN ))
5.900 4.400 0.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.91059E-04 ppm1 8.395 ppm2 9.401 CV 1
ASSI { 703}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 12 and name HG2%)
3.100 1.200 1.200 peak 703 spectrum 1 weight 0.10000E+01 volume 0.19990E-02 ppm1 2.837 ppm2 0.281 CV 1
ASSI { 704}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 12 and name HG2%)
3.300 1.400 1.400 peak 704 spectrum 1 weight 0.10000E+01 volume 0.78634E-03 ppm1 3.242 ppm2 0.277 CV 1
ASSI { 705}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 12 and name HG2%)
3.800 1.800 1.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 3.336 ppm2 0.277 CV 1
ASSI { 706}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 12 and name HG2%)
4.600 2.700 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.95687E-03 ppm1 3.519 ppm2 0.281 CV 1
ASSI { 709}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 12 and name HG2%)
3.400 1.400 1.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.14183E-02 ppm1 5.126 ppm2 0.277 CV 1
ASSI { 710}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 12 and name HD1%)
3.000 1.100 1.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.33032E-02 ppm1 3.242 ppm2 0.680 CV 1
ASSI { 711}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 12 and name HD1%)
2.300 2.300 3.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.29613E-02 ppm1 3.340 ppm2 0.680 CV 1
ASSI { 714}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 27 and name HD1%)
4.000 2.000 2.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.26855E-03 ppm1 3.349 ppm2 1.163 CV 1
ASSI { 716}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 29 and name HG2%)
4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.59842E-03 ppm1 4.793 ppm2 0.541 CV 1
ASSI { 717}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 29 and name HG1%)
4.500 2.600 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.97039E-03 ppm1 4.796 ppm2 0.682 CV 1
ASSI { 718}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 29 and name HG2%)
3.600 1.600 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 4.154 ppm2 0.541 CV 1
ASSI { 719}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 29 and name HG1%)
3.000 1.100 1.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.18435E-02 ppm1 4.159 ppm2 0.682 CV 1
ASSI { 721}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.57259E-03 ppm1 3.041 ppm2 8.396 CV 1
ASSI { 722}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.300 1.400 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.16510E-02 ppm1 3.425 ppm2 8.395 CV 1
ASSI { 724}
(( segid " " and resid 30 and name HE1 ))
(( segid " " and resid 13 and name HN ))
4.500 2.600 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.22186E-03 ppm1 8.129 ppm2 8.390 CV 1
ASSI { 725}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 30 and name HE1 ))
3.600 1.600 1.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.55985E-02 ppm1 3.522 ppm2 8.132 CV 1
ASSI { 726}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 30 and name HE1 ))
1.800 0.400 0.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.86275E-02 ppm1 2.836 ppm2 8.132 CV 1
ASSI { 729}
(( segid " " and resid 14 and name HG ))
(( segid " " and resid 14 and name HN ))
3.000 1.200 1.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.22923E-02 ppm1 1.396 ppm2 8.267 CV 1
ASSI { 730}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HN ))
5.500 3.700 0.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.28514E-03 ppm1 0.872 ppm2 8.267 CV 1
ASSI { 731}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HN ))
4.700 2.800 1.300 peak 731 spectrum 1 weight 0.10000E+01 volume 0.59651E-03 ppm1 0.822 ppm2 8.267 CV 1
ASSI { 732}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 15 and name HN ))
3.400 1.500 1.500 peak 732 spectrum 1 weight 0.10000E+01 volume 0.23806E-03 ppm1 0.822 ppm2 8.314 CV 1
ASSI { 733}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 15 and name HN ))
4.300 2.300 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.65209E-04 ppm1 0.872 ppm2 8.314 CV 1
ASSI { 734}
( segid " " and resid 16 and name HB% )
( segid " " and resid 9 and name HG1%)
2.400 2.400 3.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.19157E-02 ppm1 1.267 ppm2 0.819 CV 1
ASSI { 735}
( segid " " and resid 16 and name HB% )
( segid " " and resid 9 and name HG2%)
3.200 1.300 1.300 peak 735 spectrum 1 weight 0.10000E+01 volume 0.19157E-02 ppm1 1.269 ppm2 0.757 CV 1
ASSI { 736}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 9 and name HG1%)
2.900 1.000 1.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.61347E-02 ppm1 4.232 ppm2 0.822 CV 1
ASSI { 737}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 9 and name HG2%)
2.100 0.500 0.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10985E-01 ppm1 4.230 ppm2 0.761 CV 1
ASSI { 738}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 9 and name HG1%)
4.900 3.000 1.100 peak 738 spectrum 1 weight 0.10000E+01 volume 0.84192E-03 ppm1 2.226 ppm2 0.822 CV 1
ASSI { 739}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 9 and name HG2%)
4.400 2.400 1.600 peak 739 spectrum 1 weight 0.10000E+01 volume 0.11058E-02 ppm1 2.224 ppm2 0.761 CV 1
ASSI { 740}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 9 and name HG1%)
3.700 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.29659E-02 ppm1 1.402 ppm2 0.819 CV 1
ASSI { 741}
(( segid " " and resid 14 and name HG ))
( segid " " and resid 9 and name HG2%)
4.700 2.700 1.300 peak 741 spectrum 1 weight 0.10000E+01 volume 0.98196E-03 ppm1 1.398 ppm2 0.757 CV 1
ASSI { 742}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 9 and name HG2%)
3.000 1.100 1.100 peak 742 spectrum 1 weight 0.10000E+01 volume 0.24320E-02 ppm1 1.621 ppm2 0.757 CV 1
ASSI { 743}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 9 and name HG1%)
4.400 2.500 1.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.67944E-03 ppm1 1.619 ppm2 0.819 CV 1
ASSI { 745}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 14 and name HD2%)
2.700 2.700 3.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10406E-02 ppm1 5.110 ppm2 0.820 CV 1
ASSI { 746}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 9 and name HG2%)
3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.14793E-02 ppm1 5.112 ppm2 0.756 CV 1
ASSI { 748}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 9 and name HG1%)
2.700 2.700 3.300 peak 748 spectrum 1 weight 0.10000E+01 volume 0.10013E-02 ppm1 5.119 ppm2 0.820 CV 1
ASSI { 750}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 10 and name HN ))
4.600 2.700 1.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.52279E-03 ppm1 3.409 ppm2 9.404 CV 1
ASSI { 751}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 10 and name HN ))
5.200 3.300 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.97617E-04 ppm1 3.497 ppm2 9.404 CV 1
ASSI { 752}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 26 and name HE1 ))
3.300 1.400 1.400 peak 752 spectrum 1 weight 0.10000E+01 volume 0.84575E-03 ppm1 3.505 ppm2 7.992 CV 1
ASSI { 753}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 26 and name HE1 ))
4.200 2.300 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.54828E-03 ppm1 3.407 ppm2 7.994 CV 1
ASSI { 754}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 17 and name HD% )
4.000 2.000 2.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.99200E-03 ppm1 3.412 ppm2 7.296 CV 1
ASSI { 755}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 17 and name HD% )
4.900 3.000 1.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.33182E-03 ppm1 3.501 ppm2 7.296 CV 1
ASSI { 756}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
5.100 3.200 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.99548E-04 ppm1 3.501 ppm2 6.985 CV 1
ASSI { 757}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
4.800 2.800 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 3.412 ppm2 6.985 CV 1
ASSI { 758}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 17 and name HE% )
4.200 2.200 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.40706E-03 ppm1 3.407 ppm2 6.862 CV 1
ASSI { 759}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 17 and name HE% )
2.400 0.700 0.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.18571E-02 ppm1 3.502 ppm2 6.862 CV 1
ASSI { 760}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 17 and name HZ ))
3.200 1.300 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.19662E-02 ppm1 3.499 ppm2 6.180 CV 1
ASSI { 762}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 15 and name HN ))
3.900 1.900 1.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10688E-03 ppm1 6.986 ppm2 8.317 CV 1
ASSI { 763}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 16 and name HN ))
5.700 4.100 0.300 peak 763 spectrum 1 weight 0.10000E+01 volume 0.28552E-03 ppm1 0.816 ppm2 8.238 CV 1
ASSI { 764}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 16 and name HN ))
4.800 2.900 1.200 peak 764 spectrum 1 weight 0.10000E+01 volume 0.13427E-03 ppm1 0.757 ppm2 8.237 CV 1
ASSI { 765}
( segid " " and resid 17 and name HE% )
(( segid " " and resid 16 and name HN ))
3.200 3.200 2.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.35227E-03 ppm1 6.863 ppm2 8.239 CV 1
ASSI { 766}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 10 and name HN ))
4.800 2.800 1.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.88241E-03 ppm1 1.271 ppm2 9.406 CV 1
ASSI { 767}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 18 and name HN ))
4.100 2.100 1.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.75468E-03 ppm1 1.271 ppm2 9.431 CV 1
ASSI { 769}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 8 and name HN ))
3.900 1.900 1.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.54480E-03 ppm1 1.272 ppm2 7.899 CV 1
ASSI { 770}
( segid " " and resid 16 and name HB% )
( segid " " and resid 17 and name HD% )
3.600 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.21344E-02 ppm1 1.270 ppm2 7.293 CV 1
ASSI { 771}
( segid " " and resid 16 and name HB% )
( segid " " and resid 17 and name HE% )
6.000 5.300 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.79869E-04 ppm1 1.270 ppm2 6.858 CV 1
ASSI { 772}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HD% )
2.500 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.36562E-02 ppm1 5.112 ppm2 7.296 CV 1
ASSI { 775}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 16 and name HB% )
4.000 2.000 2.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12146E-02 ppm1 4.619 ppm2 1.271 CV 1
ASSI { 777}
(( segid " " and resid 9 and name HB ))
( segid " " and resid 16 and name HB% )
4.400 2.400 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.31485E-03 ppm1 1.852 ppm2 1.273 CV 1
ASSI { 778}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 17 and name HN ))
5.000 3.200 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.24539E-03 ppm1 2.738 ppm2 9.061 CV 1
ASSI { 785}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 22 and name HD21))
3.000 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 2.851 ppm2 7.520 CV 1
ASSI { 786}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 22 and name HD21))
6.000 4.600 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.12964E-03 ppm1 3.386 ppm2 7.520 CV 1
ASSI { 789}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 8 and name HD% )
3.800 1.800 1.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.64935E-03 ppm1 2.847 ppm2 7.146 CV 1
ASSI { 790}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 8 and name HD% )
3.700 1.700 1.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.44294E-03 ppm1 3.382 ppm2 7.146 CV 1
ASSI { 791}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HE% )
4.600 2.600 1.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.33144E-03 ppm1 4.778 ppm2 6.863 CV 1
ASSI { 794}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 18 and name HN ))
4.600 2.700 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.22533E-03 ppm1 3.022 ppm2 9.432 CV 1
ASSI { 795}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 18 and name HN ))
4.000 2.000 2.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.86814E-03 ppm1 7.290 ppm2 9.433 CV 1
ASSI { 796}
(( segid " " and resid 22 and name HD21))
(( segid " " and resid 18 and name HN ))
4.100 2.100 1.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.26623E-03 ppm1 7.521 ppm2 9.433 CV 1
ASSI { 797}
(( segid " " and resid 22 and name HD22))
(( segid " " and resid 18 and name HN ))
4.400 2.500 1.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.81913E-03 ppm1 7.221 ppm2 9.427 CV 1
ASSI { 798}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
5.000 3.100 1.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.25736E-03 ppm1 9.066 ppm2 9.432 CV 1
ASSI { 799}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 22 and name HD21))
6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.14083E-03 ppm1 1.437 ppm2 7.521 CV 1
ASSI { 800}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 22 and name HD21))
6.000 5.800 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.52088E-04 ppm1 4.523 ppm2 7.518 CV 1
ASSI { 801}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 18 and name HG2%)
4.000 2.000 2.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.13431E-02 ppm1 4.773 ppm2 1.436 CV 1
ASSI { 802}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
1.700 0.400 0.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.74389E-02 ppm1 3.378 ppm2 2.849 CV 1
ASSI { 805}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 18 and name HG2%)
5.600 3.900 0.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.35073E-03 ppm1 3.387 ppm2 1.435 CV 1
ASSI { 806}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 18 and name HG2%)
5.200 3.400 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.28282E-03 ppm1 2.860 ppm2 1.441 CV 1
ASSI { 807}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 5 and name HD2 ))
4.800 2.900 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.44334E-03 ppm1 3.612 ppm2 1.445 CV 1
OR { 807}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 5 and name HD3 ))
ASSI { 808}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 5 and name HD2 ))
4.500 2.500 1.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.38121E-03 ppm1 3.558 ppm2 1.445 CV 1
OR { 808}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 5 and name HD3 ))
ASSI { 809}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 5 and name HG3 ))
4.400 2.400 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.31793E-03 ppm1 3.615 ppm2 1.360 CV 1
OR { 809}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 810}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 5 and name HG3 ))
3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.25157E-03 ppm1 3.552 ppm2 1.360 CV 1
OR { 810}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 812}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.900 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.52862E-04 ppm1 4.528 ppm2 2.849 CV 1
ASSI { 819}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB2 ))
4.000 2.000 2.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.24821E-02 ppm1 4.420 ppm2 1.841 CV 1
ASSI { 820}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB3 ))
3.400 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 4.418 ppm2 1.782 CV 1
ASSI { 821}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HG2 ))
3.200 1.300 1.300 peak 821 spectrum 1 weight 0.10000E+01 volume 0.70610E-03 ppm1 4.418 ppm2 1.688 CV 1
ASSI { 822}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HG3 ))
5.100 3.200 0.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.27433E-03 ppm1 4.420 ppm2 1.566 CV 1
ASSI { 823}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HD3 ))
3.900 1.900 1.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.66866E-03 ppm1 4.422 ppm2 3.206 CV 1
OR { 823}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HD2 ))
ASSI { 824}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HN ))
3.400 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.92407E-03 ppm1 5.508 ppm2 7.223 CV 1
ASSI { 825}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.600 0.800 0.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.46725E-02 ppm1 1.764 ppm2 8.191 CV 1
ASSI { 826}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.48461E-02 ppm1 1.943 ppm2 8.191 CV 1
ASSI { 827}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 27 and name HN ))
3.200 3.200 2.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.38044E-03 ppm1 6.829 ppm2 8.191 CV 1
ASSI { 828}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HN ))
4.600 2.700 1.400 peak 828 spectrum 1 weight 0.10000E+01 volume 0.30095E-03 ppm1 7.838 ppm2 8.191 CV 1
ASSI { 829}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 22 and name HN ))
4.900 3.000 1.100 peak 829 spectrum 1 weight 0.10000E+01 volume 0.50931E-03 ppm1 1.251 ppm2 8.060 CV 1
ASSI { 831}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HN ))
4.600 2.600 1.400 peak 831 spectrum 1 weight 0.10000E+01 volume 0.21298E-03 ppm1 7.585 ppm2 8.559 CV 1
ASSI { 832}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HN ))
4.400 2.400 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.27356E-03 ppm1 4.059 ppm2 7.276 CV 1
ASSI { 833}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 23 and name HN ))
3.900 1.900 1.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.69258E-03 ppm1 4.057 ppm2 7.585 CV 1
ASSI { 834}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HG ))
4.100 2.100 1.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.15468E-02 ppm1 4.059 ppm2 2.001 CV 1
ASSI { 835}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.900 1.000 1.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.19971E-02 ppm1 4.059 ppm2 1.937 CV 1
ASSI { 836}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB3 ))
3.600 1.600 1.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.84153E-03 ppm1 4.059 ppm2 1.757 CV 1
ASSI { 839}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 23 and name HN ))
5.100 3.200 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.36423E-03 ppm1 1.300 ppm2 7.586 CV 1
ASSI { 840}
(( segid " " and resid 22 and name HD21))
(( segid " " and resid 22 and name HN ))
3.900 1.900 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.28591E-03 ppm1 7.519 ppm2 8.062 CV 1
ASSI { 841}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 18 and name HN ))
3.600 1.600 1.600 peak 841 spectrum 1 weight 0.10000E+01 volume 0.15762E-02 ppm1 4.531 ppm2 9.431 CV 1
ASSI { 844}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 22 and name HD21))
6.000 4.500 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11382E-03 ppm1 4.511 ppm2 7.518 CV 1
ASSI { 845}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.74003E-03 ppm1 4.515 ppm2 7.221 CV 1
ASSI { 846}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 17 and name HB3 ))
6.000 5.000 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.99931E-04 ppm1 4.528 ppm2 2.852 CV 1
ASSI { 847}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 18 and name HG2%)
2.900 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.21005E-02 ppm1 4.516 ppm2 1.436 CV 1
ASSI { 848}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 31 and name HN ))
4.000 2.000 2.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.53593E-03 ppm1 4.305 ppm2 7.979 CV 1
ASSI { 849}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HN ))
3.300 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.18401E-02 ppm1 4.307 ppm2 8.586 CV 1
ASSI { 850}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 30 and name HN ))
5.500 3.800 0.500 peak 850 spectrum 1 weight 0.10000E+01 volume 0.16668E-03 ppm1 4.318 ppm2 7.376 CV 1
ASSI { 851}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 30 and name HN ))
4.900 3.000 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.24153E-03 ppm1 4.318 ppm2 7.373 CV 1
ASSI { 853}
(( segid " " and resid 31 and name HB ))
( segid " " and resid 31 and name HG2%)
2.400 0.700 0.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.66018E-02 ppm1 4.310 ppm2 1.221 CV 1
ASSI { 854}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 27 and name HD2%)
3.100 1.200 1.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.32577E-02 ppm1 4.063 ppm2 1.159 CV 1
OR { 854}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 27 and name HD1%)
ASSI { 855}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 27 and name HN ))
4.300 2.300 1.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.73311E-03 ppm1 1.157 ppm2 8.191 CV 1
ASSI { 856}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.21187E-02 ppm1 2.003 ppm2 8.191 CV 1
ASSI { 864}
(( segid " " and resid 22 and name HD22))
(( segid " " and resid 23 and name HN ))
2.600 2.600 3.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.13771E-02 ppm1 7.221 ppm2 7.587 CV 1
ASSI { 865}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 23 and name HN ))
2.600 2.600 3.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 7.282 ppm2 7.587 CV 1
ASSI { 866}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 23 and name HN ))
4.800 2.800 1.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.18906E-03 ppm1 7.158 ppm2 7.587 CV 1
ASSI { 867}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 25 and name HN ))
4.200 2.200 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.48500E-03 ppm1 7.587 ppm2 7.838 CV 1
ASSI { 868}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HN ))
5.700 4.100 0.300 peak 868 spectrum 1 weight 0.10000E+01 volume 0.50157E-04 ppm1 7.585 ppm2 8.198 CV 1
ASSI { 871}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 22 and name HN ))
6.000 4.600 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.10456E-03 ppm1 2.542 ppm2 8.061 CV 1
ASSI { 872}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 17 and name HD% )
3.200 1.300 1.300 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 3.124 ppm2 7.292 CV 1
ASSI { 873}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 8 and name HD% )
3.300 1.300 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.31330E-03 ppm1 3.124 ppm2 7.145 CV 1
ASSI { 874}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 17 and name HD% )
2.400 2.400 3.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.70493E-02 ppm1 3.021 ppm2 7.292 CV 1
ASSI { 876}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 17 and name HD% )
3.600 1.600 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.32237E-02 ppm1 2.542 ppm2 7.291 CV 1
ASSI { 877}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 8 and name HD% )
2.900 2.900 3.100 peak 877 spectrum 1 weight 0.10000E+01 volume 0.62160E-03 ppm1 2.542 ppm2 7.143 CV 1
ASSI { 884}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
4.200 2.200 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 3.382 ppm2 2.543 CV 1
ASSI { 886}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 23 and name HB3 ))
4.100 2.100 1.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.23023E-02 ppm1 2.846 ppm2 2.544 CV 1
ASSI { 888}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HN ))
3.700 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.64435E-03 ppm1 7.276 ppm2 8.451 CV 1
ASSI { 889}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
3.900 1.900 1.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.65091E-03 ppm1 8.062 ppm2 8.449 CV 1
ASSI { 890}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.100 3.100 2.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.37519E-02 ppm1 1.406 ppm2 8.449 CV 1
ASSI { 891}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 22 and name HN ))
3.200 3.200 2.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.40011E-03 ppm1 1.392 ppm2 8.063 CV 1
ASSI { 892}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 24 and name HB% )
4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.48539E-03 ppm1 3.961 ppm2 1.394 CV 1
ASSI { 893}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 25 and name HN ))
4.900 2.900 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.33144E-03 ppm1 2.662 ppm2 7.840 CV 1
ASSI { 894}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 25 and name HN ))
4.700 2.800 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.21838E-03 ppm1 3.021 ppm2 7.840 CV 1
ASSI { 895}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HN ))
5.800 4.200 0.200 peak 895 spectrum 1 weight 0.10000E+01 volume 0.15935E-03 ppm1 4.155 ppm2 7.840 CV 1
ASSI { 896}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HN ))
3.200 1.300 1.300 peak 896 spectrum 1 weight 0.10000E+01 volume 0.16734E-02 ppm1 4.418 ppm2 7.840 CV 1
ASSI { 897}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 26 and name HN ))
5.000 3.100 1.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.37272E-03 ppm1 1.944 ppm2 7.275 CV 1
ASSI { 900}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HN ))
4.700 2.800 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.12385E-03 ppm1 1.687 ppm2 7.278 CV 1
ASSI { 901}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 26 and name HN ))
4.300 2.300 1.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.12308E-03 ppm1 1.561 ppm2 7.278 CV 1
ASSI { 902}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HE ))
2.900 1.100 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 4.418 ppm2 7.293 CV 1
ASSI { 903}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 25 and name HE ))
2.400 0.700 0.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.33823E-02 ppm1 2.884 ppm2 7.295 CV 1
ASSI { 904}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 25 and name HE ))
3.900 1.900 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 2.662 ppm2 7.293 CV 1
ASSI { 905}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 25 and name HE ))
3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 2.925 ppm2 7.295 CV 1
ASSI { 906}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HE ))
4.200 2.300 1.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.52553E-03 ppm1 4.155 ppm2 7.295 CV 1
ASSI { 907}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HN ))
5.100 3.300 0.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.32989E-03 ppm1 3.868 ppm2 7.276 CV 1
ASSI { 910}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 8 and name HD% )
3.400 1.400 1.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.98196E-03 ppm1 4.523 ppm2 7.146 CV 1
ASSI { 911}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 8 and name HD% )
4.400 2.400 1.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.43677E-03 ppm1 4.515 ppm2 7.144 CV 1
ASSI { 912}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 8 and name HE% )
5.400 3.600 0.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.10881E-03 ppm1 4.523 ppm2 7.419 CV 1
ASSI { 913}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 8 and name HE% )
6.000 6.000 0.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.23151E-04 ppm1 4.511 ppm2 7.421 CV 1
ASSI { 914}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HN ))
3.700 1.700 1.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.55445E-03 ppm1 3.973 ppm2 7.036 CV 1
ASSI { 915}
( segid " " and resid 9 and name HG1%)
( segid " " and resid 17 and name HD% )
5.100 3.200 0.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.31677E-03 ppm1 0.816 ppm2 7.293 CV 1
ASSI { 916}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 26 and name HN ))
5.100 3.200 0.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.32488E-03 ppm1 1.764 ppm2 7.277 CV 1
ASSI { 920}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.48887E-03 ppm1 6.986 ppm2 8.191 CV 1
ASSI { 922}
(( segid " " and resid 17 and name HZ ))
(( segid " " and resid 26 and name HE1 ))
3.700 1.700 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 6.172 ppm2 7.995 CV 1
ASSI { 923}
(( segid " " and resid 17 and name HZ ))
(( segid " " and resid 15 and name HN ))
4.000 2.000 2.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.91829E-04 ppm1 6.169 ppm2 8.317 CV 1
ASSI { 924}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 26 and name HE1 ))
3.900 1.900 1.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.60808E-03 ppm1 6.834 ppm2 7.995 CV 1
ASSI { 925}
(( segid " " and resid 26 and name HE1 ))
(( segid " " and resid 30 and name HE1 ))
3.700 1.700 1.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.56215E-03 ppm1 7.995 ppm2 8.131 CV 1
ASSI { 926}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HN ))
4.300 2.400 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 6.986 ppm2 7.276 CV 1
ASSI { 929}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HD2 ))
2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.32688E-02 ppm1 3.867 ppm2 6.983 CV 1
ASSI { 930}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HE1 ))
6.000 4.600 0.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10803E-03 ppm1 2.930 ppm2 7.994 CV 1
ASSI { 936}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 30 and name HD2 ))
2.900 1.000 1.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.22035E-02 ppm1 1.146 ppm2 6.829 CV 1
ASSI { 937}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 30 and name HD2 ))
5.700 4.000 0.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.20681E-03 ppm1 1.966 ppm2 6.830 CV 1
ASSI { 938}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
4.300 2.300 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 1.764 ppm2 6.985 CV 1
ASSI { 939}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 30 and name HD2 ))
5.200 3.400 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.55715E-03 ppm1 1.764 ppm2 6.827 CV 1
ASSI { 940}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.69414E-03 ppm1 1.943 ppm2 6.987 CV 1
ASSI { 941}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 30 and name HD2 ))
5.100 3.300 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.34725E-03 ppm1 1.943 ppm2 6.829 CV 1
ASSI { 942}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 26 and name HD2 ))
4.900 3.000 1.100 peak 942 spectrum 1 weight 0.10000E+01 volume 0.54480E-03 ppm1 2.003 ppm2 6.985 CV 1
ASSI { 943}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 30 and name HD2 ))
5.400 3.600 0.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.21723E-03 ppm1 2.003 ppm2 6.829 CV 1
ASSI { 944}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 26 and name HD2 ))
3.100 1.200 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.33422E-02 ppm1 1.157 ppm2 6.985 CV 1
ASSI { 946}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 26 and name HN ))
5.000 3.100 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.37774E-03 ppm1 1.157 ppm2 7.280 CV 1
ASSI { 947}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 28 and name HN ))
4.200 2.200 1.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.61464E-03 ppm1 1.157 ppm2 7.035 CV 1
ASSI { 948}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 17 and name HE% )
3.200 1.300 1.300 peak 948 spectrum 1 weight 0.10000E+01 volume 0.86041E-03 ppm1 2.925 ppm2 6.861 CV 1
ASSI { 949}
(( segid " " and resid 26 and name HB3 ))
( segid " " and resid 17 and name HE% )
3.700 1.700 1.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 2.662 ppm2 6.861 CV 1
ASSI { 951}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 17 and name HZ ))
2.900 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.12073E-02 ppm1 2.925 ppm2 6.180 CV 1
ASSI { 952}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 17 and name HZ ))
3.500 1.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.18736E-02 ppm1 2.665 ppm2 6.180 CV 1
ASSI { 959}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.400 1.400 1.400 peak 959 spectrum 1 weight 0.10000E+01 volume 0.40937E-02 ppm1 1.898 ppm2 7.035 CV 1
ASSI { 960}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.100 0.600 0.600 peak 960 spectrum 1 weight 0.10000E+01 volume 0.84692E-02 ppm1 1.770 ppm2 7.038 CV 1
ASSI { 965}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 30 and name HN ))
3.600 1.600 1.600 peak 965 spectrum 1 weight 0.10000E+01 volume 0.66287E-03 ppm1 4.091 ppm2 7.374 CV 1
ASSI { 966}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HB2 ))
4.700 2.800 1.300 peak 966 spectrum 1 weight 0.10000E+01 volume 0.14623E-03 ppm1 2.981 ppm2 1.894 CV 1
OR { 966}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 967}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HG2 ))
3.100 1.200 1.200 peak 967 spectrum 1 weight 0.10000E+01 volume 0.22768E-02 ppm1 2.979 ppm2 1.577 CV 1
OR { 967}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HG2 ))
ASSI { 968}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HG3 ))
3.200 1.300 1.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 2.981 ppm2 1.480 CV 1
OR { 968}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HG3 ))
ASSI { 969}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HB3 ))
1.800 0.400 0.400 peak 969 spectrum 1 weight 0.10000E+01 volume 0.78595E-02 ppm1 1.898 ppm2 1.765 CV 1
ASSI { 974}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 29 and name HN ))
4.000 2.000 2.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.17247E-03 ppm1 1.470 ppm2 8.013 CV 1
ASSI { 975}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 29 and name HN ))
6.000 5.000 0.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.11884E-03 ppm1 1.679 ppm2 8.010 CV 1
OR { 975}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 976}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 29 and name HN ))
4.300 2.300 1.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.13852E-03 ppm1 1.586 ppm2 8.010 CV 1
ASSI { 980}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HB3 ))
3.800 1.800 1.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.74159E-03 ppm1 3.899 ppm2 2.716 CV 1
OR { 980}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HB2 ))
ASSI { 986}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 30 and name HE1 ))
4.200 2.200 1.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.75777E-03 ppm1 1.159 ppm2 8.132 CV 1
ASSI { 987}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 32 and name HN ))
4.300 2.300 1.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.50044E-03 ppm1 7.376 ppm2 8.588 CV 1
ASSI { 988}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 30 and name HE1 ))
6.000 4.700 0.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.23305E-03 ppm1 0.685 ppm2 8.135 CV 1
ASSI { 989}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 26 and name HD2 ))
2.700 0.900 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.40167E-02 ppm1 6.838 ppm2 6.984 CV 1
ASSI { 990}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 30 and name HB2 ))
5.300 3.500 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.11073E-03 ppm1 4.311 ppm2 3.333 CV 1
ASSI { 991}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 30 and name HB3 ))
4.800 2.900 1.200 peak 991 spectrum 1 weight 0.10000E+01 volume 0.17054E-03 ppm1 4.311 ppm2 3.244 CV 1
ASSI { 992}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 32 and name HN ))
4.800 2.900 1.200 peak 992 spectrum 1 weight 0.10000E+01 volume 0.23151E-03 ppm1 4.791 ppm2 8.586 CV 1
ASSI { 993}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.500 1.500 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.21684E-03 ppm1 2.716 ppm2 7.980 CV 1
OR { 993}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 994}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 31 and name HN ))
6.000 4.700 0.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.11537E-03 ppm1 4.676 ppm2 7.978 CV 1
ASSI { 995}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 30 and name HB2 ))
5.300 3.500 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.84884E-04 ppm1 4.303 ppm2 3.333 CV 1
ASSI { 996}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 30 and name HB3 ))
3.800 3.800 2.200 peak 996 spectrum 1 weight 0.10000E+01 volume 0.13543E-03 ppm1 4.301 ppm2 3.244 CV 1
ASSI { 999}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HB2 ))
4.300 2.300 1.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.61273E-03 ppm1 4.314 ppm2 2.721 CV 1
OR { 999}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 1000}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HB2 ))
5.000 3.100 1.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.21877E-03 ppm1 4.303 ppm2 2.721 CV 1
OR { 1000}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 1001}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 31 and name HG2%)
3.600 1.600 1.600 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.76821E-03 ppm1 4.084 ppm2 1.222 CV 1
ASSI { 1002}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 31 and name HG2%)
5.200 3.400 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.19215E-03 ppm1 4.796 ppm2 1.225 CV 1
ASSI { 1003}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 31 and name HG2%)
3.600 1.600 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.73194E-03 ppm1 3.340 ppm2 1.224 CV 1
ASSI { 1004}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 31 and name HG2%)
4.300 2.300 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.61656E-03 ppm1 3.242 ppm2 1.224 CV 1
ASSI { 1005}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 31 and name HG2%)
2.900 2.900 3.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.61851E-03 ppm1 2.720 ppm2 1.224 CV 1
OR { 1005}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 31 and name HG2%)
ASSI { 1006}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.93912E-03 ppm1 4.085 ppm2 8.587 CV 1
ASSI { 1007}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 33 and name HN ))
3.600 1.700 1.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.81722E-03 ppm1 4.440 ppm2 8.099 CV 1
ASSI { 1008}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 33 and name HG2%)
5.000 3.100 1.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.11922E-03 ppm1 4.676 ppm2 1.226 CV 1
ASSI { 1009}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HN ))
3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.73385E-03 ppm1 4.226 ppm2 8.393 CV 1
ASSI { 1011}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 17 and name HE% )
4.700 2.700 1.300 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.44373E-03 ppm1 3.387 ppm2 6.861 CV 1
ASSI { 1012}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB3 ))
6.000 5.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.15819E-04 ppm1 4.555 ppm2 3.854 CV 1
ASSI { 1016}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HD% )
3.200 1.200 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.94686E-03 ppm1 3.021 ppm2 7.140 CV 1
ASSI { 1018}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
3.100 1.200 1.200 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 4.415 ppm2 2.915 CV 1
ASSI { 1019}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HD22))
3.500 1.600 1.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.18293E-02 ppm1 2.913 ppm2 7.222 CV 1
ASSI { 1020}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 25 and name HE ))
4.100 2.100 1.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 2.911 ppm2 7.295 CV 1
ASSI { 1021}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HD21))
2.600 0.800 0.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.75316E-03 ppm1 2.911 ppm2 7.520 CV 1
ASSI { 1022}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.600 0.800 0.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.17189E-02 ppm1 2.910 ppm2 7.585 CV 1
ASSI { 1023}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 2.911 ppm2 8.061 CV 1
ASSI { 1026}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HB ))
3.100 1.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.72345E-03 ppm1 5.511 ppm2 4.419 CV 1
ASSI { 1027}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 22 and name HB2 ))
4.900 3.000 1.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.17247E-03 ppm1 5.511 ppm2 2.915 CV 1
ASSI { 1028}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 22 and name HB3 ))
5.800 4.200 0.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.21028E-03 ppm1 5.506 ppm2 2.885 CV 1
ASSI { 1029}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 21 and name HB% )
3.100 1.200 1.200 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.12188E-02 ppm1 5.511 ppm2 1.301 CV 1
ASSI { 1030}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 19 and name HG2%)
2.600 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.54597E-02 ppm1 5.509 ppm2 1.252 CV 1
ASSI { 1031}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB3 ))
1.800 0.400 0.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.88780E-02 ppm1 1.970 ppm2 1.121 CV 1
ASSI { 1032}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 7 and name HB3 ))
3.100 1.200 1.200 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.80409E-03 ppm1 1.536 ppm2 1.121 CV 1
ASSI { 1034}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HG2 ))
4.800 2.900 1.200 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.46147E-03 ppm1 4.534 ppm2 1.712 CV 1
ASSI { 1035}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HG3 ))
4.600 2.600 1.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.78634E-03 ppm1 4.536 ppm2 1.535 CV 1
ASSI { 1036}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HB3 ))
6.000 5.600 0.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.51701E-04 ppm1 4.530 ppm2 1.121 CV 1
ASSI { 1037}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HB3 ))
2.200 0.600 0.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.27923E-02 ppm1 3.023 ppm2 2.735 CV 1
ASSI { 1038}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 11 and name HN ))
3.800 1.800 1.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.88589E-03 ppm1 1.352 ppm2 9.068 CV 1
ASSI { 1039}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 11 and name HN ))
3.700 1.800 1.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 1.156 ppm2 9.068 CV 1
ASSI { 1040}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 11 and name HN ))
6.000 5.500 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.13736E-03 ppm1 1.066 ppm2 9.068 CV 1
ASSI { 1041}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HN ))
5.400 3.600 0.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.17209E-03 ppm1 3.864 ppm2 9.068 CV 1
ASSI { 1044}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 11 and name HN ))
3.400 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.25195E-03 ppm1 0.686 ppm2 9.066 CV 1
ASSI { 1045}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 15 and name HN ))
5.200 3.300 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.29671E-03 ppm1 3.518 ppm2 8.319 CV 1
ASSI { 1046}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 10 and name HN ))
3.600 1.700 1.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.74081E-03 ppm1 4.227 ppm2 9.402 CV 1
ASSI { 1047}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 17 and name HE% )
5.700 4.000 0.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.23421E-03 ppm1 4.231 ppm2 6.863 CV 1
ASSI { 1048}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 16 and name HB% )
4.500 2.500 1.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 4.227 ppm2 1.271 CV 1
ASSI { 1050}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.22494E-02 ppm1 4.620 ppm2 9.063 CV 1
ASSI { 1051}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 14 and name HN ))
4.500 2.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.97926E-03 ppm1 1.166 ppm2 8.267 CV 1
ASSI { 1052}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 21 and name HN ))
2.600 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.31334E-02 ppm1 4.419 ppm2 8.558 CV 1
ASSI { 1053}
( segid " " and resid 19 and name HG2%)
( segid " " and resid 8 and name HD% )
4.500 2.500 1.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.81761E-03 ppm1 1.251 ppm2 7.143 CV 1
ASSI { 1054}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 4.532 ppm2 7.899 CV 1
ASSI { 1055}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HD2 ))
2.300 0.600 0.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.71302E-02 ppm1 3.867 ppm2 6.830 CV 1
ASSI { 1056}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 22 and name HD22))
5.500 3.800 0.500 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.11058E-02 ppm1 3.384 ppm2 7.220 CV 1
ASSI { 1058}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 6 and name HD2 ))
3.500 1.500 1.500 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.98813E-03 ppm1 4.771 ppm2 2.998 CV 1
OR { 1058}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 6 and name HD3 ))
ASSI { 1059}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 29 and name HN ))
4.000 2.000 2.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.40011E-03 ppm1 4.155 ppm2 8.006 CV 1
ASSI { 1060}
(( segid " " and resid 20 and name HG3 ))
( segid " " and resid 8 and name HE% )
3.800 1.800 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.39432E-03 ppm1 1.095 ppm2 7.418 CV 1
OR { 1060}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 8 and name HE% )
ASSI { 1061}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 8 and name HE% )
6.000 4.500 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.30327E-03 ppm1 1.167 ppm2 7.418 CV 1
ASSI { 1062}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 8 and name HE% )
5.200 3.400 0.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.28475E-03 ppm1 1.395 ppm2 7.418 CV 1
ASSI { 1063}
(( segid " " and resid 20 and name HD2 ))
( segid " " and resid 8 and name HE% )
4.800 2.800 1.200 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.34725E-03 ppm1 1.598 ppm2 7.421 CV 1
OR { 1063}
(( segid " " and resid 20 and name HD3 ))
( segid " " and resid 8 and name HE% )
ASSI { 1064}
(( segid " " and resid 20 and name HD2 ))
( segid " " and resid 8 and name HD% )
3.400 1.500 1.500 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.23613E-03 ppm1 1.598 ppm2 7.147 CV 1
OR { 1064}
(( segid " " and resid 20 and name HD3 ))
( segid " " and resid 8 and name HD% )
ASSI { 1065}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 8 and name HD% )
4.300 2.300 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.81761E-03 ppm1 1.395 ppm2 7.146 CV 1
ASSI { 1066}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 8 and name HD% )
4.900 3.000 1.100 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.47073E-03 ppm1 1.167 ppm2 7.147 CV 1
ASSI { 1067}
(( segid " " and resid 20 and name HG3 ))
( segid " " and resid 8 and name HD% )
3.900 1.900 1.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.37581E-03 ppm1 1.095 ppm2 7.146 CV 1
OR { 1067}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 8 and name HD% )
ASSI { 1068}
(( segid " " and resid 20 and name HE3 ))
( segid " " and resid 8 and name HE% )
2.900 1.100 1.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.64013E-03 ppm1 2.962 ppm2 7.421 CV 1
OR { 1068}
(( segid " " and resid 20 and name HE2 ))
( segid " " and resid 8 and name HE% )
ASSI { 1069}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 8 and name HE% )
4.500 2.500 1.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.74737E-03 ppm1 3.045 ppm2 7.421 CV 1
ASSI { 1070}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 8 and name HE% )
4.600 2.700 1.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.44486E-03 ppm1 4.420 ppm2 7.420 CV 1
ASSI { 1071}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 8 and name HD% )
5.000 3.100 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.37581E-03 ppm1 4.420 ppm2 7.144 CV 1
ASSI { 1072}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 8 and name HD% )
3.000 1.100 1.100 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.97539E-03 ppm1 4.713 ppm2 7.148 CV 1
ASSI { 1073}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 17 and name HE% )
5.200 3.300 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.20758E-03 ppm1 4.355 ppm2 6.863 CV 1
ASSI { 1074}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 17 and name HE% )
5.200 3.300 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.19292E-03 ppm1 4.617 ppm2 6.863 CV 1
ASSI { 1075}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 17 and name HD% )
3.800 1.800 1.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.60346E-03 ppm1 4.615 ppm2 7.295 CV 1
ASSI { 1077}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 22 and name HD22))
4.400 2.400 1.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.12486E-02 ppm1 2.853 ppm2 7.223 CV 1
ASSI { 1078}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 17 and name HZ ))
5.600 3.900 0.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.39858E-03 ppm1 3.034 ppm2 6.180 CV 1
ASSI { 1081}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 21 and name HB% )
3.400 1.400 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.14519E-02 ppm1 4.422 ppm2 1.304 CV 1
ASSI { 1082}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HB2 ))
4.400 2.400 1.600 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.91985E-03 ppm1 4.619 ppm2 3.424 CV 1
ASSI { 1083}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HB3 ))
4.700 2.800 1.300 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.68253E-03 ppm1 4.621 ppm2 3.042 CV 1
ASSI { 1084}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 23 and name HN ))
4.100 2.100 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.37928E-03 ppm1 3.386 ppm2 7.589 CV 1
ASSI { 1085}
(( segid " " and resid 14 and name HG ))
(( segid " " and resid 13 and name HN ))
3.000 3.000 3.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.56833E-03 ppm1 1.386 ppm2 8.396 CV 1
ASSI { 1086}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 4 and name HN ))
3.800 3.800 2.200 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.13427E-03 ppm1 1.309 ppm2 8.592 CV 1
ASSI { 1088}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 22 and name HN ))
5.600 3.900 0.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.35497E-03 ppm1 7.402 ppm2 8.049 CV 1
ASSI { 1092}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 8 and name HZ ))
4.200 2.300 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.34610E-03 ppm1 1.092 ppm2 7.389 CV 1
OR { 1092}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 8 and name HZ ))
ASSI { 1094}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 30 and name HN ))
4.600 2.600 1.400 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.22996E-03 ppm1 1.226 ppm2 7.379 CV 1
ASSI { 1095}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 8 and name HZ ))
5.000 3.200 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.14777E-03 ppm1 1.372 ppm2 7.391 CV 1
OR { 1095}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 8 and name HZ ))
ASSI { 1097}
( segid " " and resid 18 and name HG2%)
( segid " " and resid 17 and name HD% )
6.000 5.300 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.82570E-04 ppm1 1.419 ppm2 7.296 CV 1
ASSI { 1098}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 8 and name HZ ))
5.600 4.000 0.400 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.18598E-03 ppm1 1.535 ppm2 7.389 CV 1
ASSI { 1099}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 8 and name HZ ))
5.000 3.100 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.17556E-03 ppm1 1.609 ppm2 7.389 CV 1
OR { 1099}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 8 and name HZ ))
ASSI { 1101}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 8 and name HZ ))
6.000 4.500 0.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.16745E-03 ppm1 3.047 ppm2 7.384 CV 1
ASSI { 1102}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 23 and name HN ))
4.600 2.600 1.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.35034E-03 ppm1 2.738 ppm2 7.585 CV 1
ASSI { 1106}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 17 and name HZ ))
5.400 3.700 0.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.28552E-03 ppm1 4.151 ppm2 6.178 CV 1
ASSI { 1107}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 8 and name HZ ))
5.400 3.600 0.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.42055E-03 ppm1 4.704 ppm2 7.389 CV 1
ASSI { 1109}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 30 and name HN ))
3.700 1.700 1.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.93064E-03 ppm1 7.023 ppm2 7.387 CV 1
ASSI { 1112}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB2 ))
5.000 3.200 1.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.40550E-03 ppm1 4.710 ppm2 1.393 CV 1
ASSI { 1113}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HG ))
4.000 2.000 2.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.31137E-03 ppm1 5.122 ppm2 1.391 CV 1
ASSI { 1116}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 5 and name HB2 ))
5.600 3.900 0.400 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.16360E-03 ppm1 3.616 ppm2 1.755 CV 1
ASSI { 1117}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 5 and name HB2 ))
4.300 2.300 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.31446E-03 ppm1 3.551 ppm2 1.755 CV 1
ASSI { 1118}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 9 and name HB ))
6.000 4.600 0.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.16745E-03 ppm1 4.216 ppm2 1.855 CV 1
ASSI { 1119}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HG3 ))
4.500 2.500 1.500 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 3.866 ppm2 1.657 CV 1
ASSI { 1121}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 12 and name HG2%)
5.600 3.900 0.400 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.17671E-03 ppm1 4.796 ppm2 0.274 CV 1
ASSI { 1122}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 29 and name HG1%)
4.900 3.000 1.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.20372E-03 ppm1 4.335 ppm2 0.680 CV 1
ASSI { 1124}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 29 and name HG2%)
3.300 1.300 1.300 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.32835E-03 ppm1 0.936 ppm2 0.544 CV 1
ASSI { 1125}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 19 and name HG2%)
4.900 3.000 1.100 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.63665E-03 ppm1 2.878 ppm2 1.255 CV 1
ASSI { 1127}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 19 and name HG2%)
3.000 1.200 1.200 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.18343E-02 ppm1 4.519 ppm2 1.255 CV 1
OR { 1127}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 19 and name HG2%)
ASSI { 1128}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 22 and name HB2 ))
4.100 2.100 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.80756E-03 ppm1 3.382 ppm2 2.910 CV 1
ASSI { 1129}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 8 and name HB3 ))
3.800 1.800 1.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.49504E-03 ppm1 3.379 ppm2 2.745 CV 1
ASSI { 1130}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 8 and name HB3 ))
3.500 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.50083E-03 ppm1 3.120 ppm2 2.738 CV 1
ASSI { 1131}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
4.200 2.200 1.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.50083E-03 ppm1 3.117 ppm2 2.850 CV 1
ASSI { 1133}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 17 and name HB3 ))
4.500 2.500 1.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 4.418 ppm2 2.850 CV 1
ASSI { 1134}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 20 and name HA ))
5.100 3.200 0.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.26661E-03 ppm1 4.415 ppm2 3.068 CV 1
ASSI { 1135}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HA ))
4.200 2.200 1.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.65283E-03 ppm1 4.698 ppm2 3.061 CV 1
ASSI { 1137}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HG2 ))
4.600 2.700 1.400 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.23034E-03 ppm1 4.062 ppm2 1.092 CV 1
ASSI { 1138}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HG3 ))
3.600 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.12035E-02 ppm1 4.525 ppm2 1.365 CV 1
OR { 1138}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 1139}
(( segid " " and resid 27 and name HG ))
( segid " " and resid 31 and name HG2%)
3.300 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.96113E-03 ppm1 1.998 ppm2 1.223 CV 1
ASSI { 1147}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 30 and name HE1 ))
6.000 5.400 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.76011E-04 ppm1 3.867 ppm2 8.132 CV 1
ASSI { 1152}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 22 and name HN ))
6.000 5.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.77555E-04 ppm1 7.280 ppm2 8.062 CV 1
ASSI { 956}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 27 and name HD1%)
4.400 2.400 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.48269E-03 ppm1 3.239 ppm2 1.162 CV 1
OR { 956}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 12 and name HB ))
ASSI { 981}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 14 and name HD2%)
4.200 2.200 1.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.34841E-03 ppm1 3.868 ppm2 0.828 CV 1
OR { 981}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 9 and name HG1%)
ASSI { 1042}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 29 and name HG1%)
5.100 3.200 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.44603E-03 ppm1 1.754 ppm2 0.680 CV 1
OR { 1042}
(( segid " " and resid 11 and name HG2 ))
( segid " " and resid 12 and name HD1%)
ASSI { 1043}
(( segid " " and resid 11 and name HG3 ))
( segid " " and resid 12 and name HD1%)
3.900 1.900 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.10236E-02 ppm1 1.659 ppm2 0.680 CV 1
OR { 1043}
(( segid " " and resid 28 and name HD3 ))
( segid " " and resid 29 and name HG1%)
OR { 1043}
(( segid " " and resid 28 and name HD2 ))
( segid " " and resid 29 and name HG1%)
ASSI { 1087}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HN ))
4.300 2.300 1.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.16745E-03 ppm1 8.183 ppm2 8.454 CV 1
OR { 1087}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 24 and name HN ))
ASSI { 1093}
( segid " " and resid 27 and name HD1%)
(( segid " " and resid 30 and name HN ))
4.300 2.300 1.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.53823E-03 ppm1 1.152 ppm2 7.389 CV 1
OR { 1093}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 8 and name HZ ))
ASSI { 1096}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 26 and name HN ))
5.900 4.300 0.100 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.13003E-03 ppm1 1.395 ppm2 7.284 CV 1
OR { 1096}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 25 and name HE ))
ASSI { 1100}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 8 and name HZ ))
4.200 2.200 1.800 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.23845E-03 ppm1 2.946 ppm2 7.382 CV 1
OR { 1100}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 1104}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 19 and name HN ))
5.200 3.400 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.21298E-03 ppm1 2.738 ppm2 7.226 CV 1
OR { 1104}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 22 and name HD22))
ASSI { 1111}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 20 and name HB2 ))
4.000 2.000 2.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.69527E-03 ppm1 4.418 ppm2 1.396 CV 1
OR { 1111}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 24 and name HB% )
ASSI { 1114}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HB ))
4.700 2.700 1.300 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.38738E-03 ppm1 4.228 ppm2 1.168 CV 1
OR { 1114}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 27 and name HD1%)
ASSI { 1115}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 31 and name HG2%)
4.600 2.700 1.400 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.30481E-03 ppm1 3.878 ppm2 1.221 CV 1
OR { 1115}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 31 and name HG2%)
OR { 1115}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 33 and name HG2%)
ASSI { 1120}
(( segid " " and resid 4 and name HA1 ))
( segid " " and resid 18 and name HG2%)
5.000 3.100 1.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.30906E-03 ppm1 3.934 ppm2 1.444 CV 1
OR { 1120}
(( segid " " and resid 4 and name HA2 ))
( segid " " and resid 18 and name HG2%)
OR { 1120}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 5 and name HD2 ))
OR { 1120}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 5 and name HD3 ))
OR { 1120}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 5 and name HD3 ))
ASSI { 1126}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HB ))
3.500 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.19338E-02 ppm1 4.344 ppm2 1.159 CV 1
OR { 1126}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 27 and name HD1%)
ASSI { 1132}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 17 and name HB3 ))
3.700 1.700 1.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.11834E-02 ppm1 3.022 ppm2 2.848 CV 1
OR { 1132}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
OR { 1132}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 1136}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 16 and name HB% )
5.400 3.600 0.600 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.31562E-03 ppm1 3.406 ppm2 1.264 CV 1
OR { 1136}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 16 and name HB% )
ASSI { 1144}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 16 and name HB% )
4.900 3.000 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.33568E-03 ppm1 1.969 ppm2 1.271 CV 1
OR { 1144}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 6 and name HG3 ))
ASSI { 1146}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 17 and name HD% )
5.900 4.400 0.100 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.14199E-03 ppm1 4.520 ppm2 7.293 CV 1
OR { 1146}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 17 and name HD% )
OR { 1146}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 17 and name HD% )
ASSI { 1149}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 19 and name HN ))
5.200 3.300 0.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.32835E-03 ppm1 4.765 ppm2 7.221 CV 1
OR { 1149}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 22 and name HD22))
ASSI { 1151}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 13 and name HN ))
4.400 2.400 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.12000E-03 ppm1 0.813 ppm2 8.393 CV 1
OR { 1151}
( segid " " and resid 9 and name HG1%)
(( segid " " and resid 13 and name HN ))
Contact the webmaster for help, if required. Friday, May 10, 2024 5:54:50 PM GMT (wattos1)