NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
25097 |
2k6a   |
15863 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
6.000 5.000 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.720 ppm2 9.907 CV 1
ASSI { 2}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
4.400 2.900 1.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.56861E-03 ppm1 2.841 ppm2 9.907 CV 1
ASSI { 3}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.600 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.58033E-02 ppm1 2.731 ppm2 9.907 CV 1
ASSI { 4}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
3.100 1.700 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.34292E-02 ppm1 5.720 ppm2 2.730 CV 1
ASSI { 5}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
2.600 1.300 1.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.60671E-02 ppm1 5.720 ppm2 2.836 CV 1
ASSI { 6}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HN ))
3.200 1.800 1.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 2.608 ppm2 9.616 CV 1
ASSI { 7}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HN ))
3.200 1.800 1.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.37517E-02 ppm1 3.048 ppm2 9.617 CV 1
ASSI { 8}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
3.300 1.800 1.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.14801E-02 ppm1 5.752 ppm2 9.615 CV 1
ASSI { 9}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
1.800 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.23594E-01 ppm1 3.048 ppm2 2.603 CV 1
ASSI { 10}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB2 ))
2.700 1.400 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.62283E-02 ppm1 5.752 ppm2 2.603 CV 1
ASSI { 11}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB3 ))
2.900 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.28870E-02 ppm1 5.752 ppm2 3.046 CV 1
ASSI { 12}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.900 1.600 1.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 4.714 ppm2 9.532 CV 1
ASSI { 13}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
3.500 2.000 2.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 2.793 ppm2 9.532 CV 1
ASSI { 14}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.700 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.48947E-02 ppm1 2.626 ppm2 9.533 CV 1
ASSI { 15}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.700 1.400 1.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.72837E-02 ppm1 4.715 ppm2 2.625 CV 1
ASSI { 16}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.500 1.300 1.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.67266E-02 ppm1 4.715 ppm2 2.793 CV 1
ASSI { 17}
(( segid " " and resid 41 and name HA2 ))
(( segid " " and resid 41 and name HN ))
2.700 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.53197E-02 ppm1 4.426 ppm2 9.465 CV 1
ASSI { 18}
(( segid " " and resid 41 and name HA1 ))
(( segid " " and resid 41 and name HN ))
2.600 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.91740E-02 ppm1 3.744 ppm2 9.465 CV 1
ASSI { 19}
(( segid " " and resid 41 and name HA2 ))
(( segid " " and resid 41 and name HA1 ))
1.800 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.23888E-01 ppm1 4.419 ppm2 3.744 CV 1
ASSI { 20}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.700 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.49240E-02 ppm1 2.621 ppm2 9.182 CV 1
ASSI { 21}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
3.800 2.300 2.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.13556E-02 ppm1 2.884 ppm2 9.183 CV 1
ASSI { 22}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.800 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.39128E-02 ppm1 5.697 ppm2 9.187 CV 1
ASSI { 23}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.885 ppm2 2.613 CV 1
ASSI { 24}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
3.200 1.800 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.28723E-02 ppm1 5.686 ppm2 2.613 CV 1
ASSI { 25}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
2.600 1.300 1.300 peak 25 spectrum 1 weight 0.10000E+01 volume 0.60671E-02 ppm1 5.686 ppm2 2.886 CV 1
ASSI { 26}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.700 1.400 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.46896E-02 ppm1 5.443 ppm2 9.128 CV 1
ASSI { 27}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.800 1.500 1.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.53197E-02 ppm1 3.113 ppm2 9.134 CV 1
ASSI { 28}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.800 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.46455E-02 ppm1 2.808 ppm2 9.128 CV 1
ASSI { 29}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
1.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.47189E-01 ppm1 3.111 ppm2 2.807 CV 1
ASSI { 30}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB3 ))
2.900 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.38395E-02 ppm1 5.442 ppm2 3.110 CV 1
ASSI { 31}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB2 ))
2.600 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.66240E-02 ppm1 5.440 ppm2 2.806 CV 1
ASSI { 32}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HB2 ))
6.000 5.000 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 2.798 CV 1
ASSI { 33}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HN ))
3.100 1.700 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 5.567 ppm2 9.095 CV 1
ASSI { 34}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HN ))
2.800 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.70493E-02 ppm1 2.935 ppm2 9.090 CV 1
ASSI { 35}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HN ))
3.500 2.100 2.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.10156E-02 ppm1 2.800 ppm2 9.090 CV 1
ASSI { 36}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB3 ))
3.000 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.32826E-02 ppm1 5.564 ppm2 2.935 CV 1
ASSI { 37}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB2 ))
2.800 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.48068E-02 ppm1 5.564 ppm2 2.799 CV 1
ASSI { 38}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
3.100 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21103E-02 ppm1 4.908 ppm2 9.120 CV 1
ASSI { 39}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.600 1.400 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.66533E-02 ppm1 2.627 ppm2 9.055 CV 1
ASSI { 40}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HN ))
3.000 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.34732E-02 ppm1 3.005 ppm2 9.053 CV 1
ASSI { 41}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
3.000 1.700 1.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.26525E-02 ppm1 5.079 ppm2 9.055 CV 1
ASSI { 42}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HB2 ))
1.800 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.23594E-01 ppm1 3.008 ppm2 2.623 CV 1
ASSI { 43}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
2.700 1.400 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.76056E-02 ppm1 5.078 ppm2 3.008 CV 1
ASSI { 44}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
2.800 1.500 1.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.39275E-02 ppm1 5.078 ppm2 2.621 CV 1
ASSI { 45}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
3.600 2.100 2.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.99947E-03 ppm1 4.807 ppm2 9.104 CV 1
ASSI { 46}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HN ))
3.200 1.800 1.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.21103E-02 ppm1 2.454 ppm2 9.102 CV 1
OR { 46}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 47}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.800 2.300 2.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.96578E-03 ppm1 2.183 ppm2 9.101 CV 1
ASSI { 48}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
4.100 2.600 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.67119E-03 ppm1 2.075 ppm2 9.099 CV 1
ASSI { 49}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 37 and name HN ))
2.800 1.500 1.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.45577E-02 ppm1 4.408 ppm2 9.120 CV 1
ASSI { 50}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 37 and name HN ))
2.500 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.92621E-02 ppm1 3.590 ppm2 9.120 CV 1
ASSI { 51}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 37 and name HA1 ))
1.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.36198E-01 ppm1 4.408 ppm2 3.588 CV 1
ASSI { 52}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HN ))
3.000 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.26379E-02 ppm1 4.482 ppm2 8.949 CV 1
ASSI { 53}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HN ))
3.500 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 1.542 ppm2 8.949 CV 1
ASSI { 54}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HN ))
3.600 2.200 2.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.15241E-02 ppm1 1.320 ppm2 8.949 CV 1
ASSI { 55}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HN ))
3.300 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 1.280 ppm2 8.947 CV 1
ASSI { 56}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
2.900 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.35025E-02 ppm1 4.197 ppm2 8.956 CV 1
ASSI { 57}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HN ))
6.000 5.000 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.690 ppm2 8.957 CV 1
ASSI { 58}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 61 and name HN ))
3.700 2.200 2.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 0.602 ppm2 8.956 CV 1
ASSI { 59}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 44 and name HN ))
2.600 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.74450E-02 ppm1 0.900 ppm2 8.900 CV 1
ASSI { 60}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 44 and name HN ))
3.500 2.000 2.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.21543E-02 ppm1 0.827 ppm2 8.900 CV 1
ASSI { 61}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 44 and name HN ))
2.600 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.64041E-02 ppm1 2.042 ppm2 8.901 CV 1
ASSI { 62}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HN ))
2.900 1.600 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.39861E-02 ppm1 4.106 ppm2 8.817 CV 1
ASSI { 63}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HN ))
3.000 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.30335E-02 ppm1 3.832 ppm2 8.816 CV 1
ASSI { 64}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 5.000 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.486 ppm2 8.687 CV 1
ASSI { 65}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
4.100 2.600 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.60378E-03 ppm1 0.997 ppm2 8.730 CV 1
ASSI { 66}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 33 and name HN ))
3.100 1.700 1.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 0.826 ppm2 8.730 CV 1
ASSI { 67}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
2.500 1.300 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.91740E-02 ppm1 1.914 ppm2 8.730 CV 1
ASSI { 68}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.800 1.500 1.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.36344E-02 ppm1 3.465 ppm2 8.731 CV 1
ASSI { 69}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
6.000 5.000 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.438 ppm2 8.702 CV 1
ASSI { 70}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.900 1.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.36198E-02 ppm1 4.241 ppm2 7.465 CV 1
ASSI { 71}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HN ))
4.000 2.500 2.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.90564E-03 ppm1 0.554 ppm2 7.463 CV 1
ASSI { 72}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HN ))
3.900 2.400 2.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 0.916 ppm2 7.463 CV 1
ASSI { 73}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HN ))
2.700 1.400 1.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.44258E-02 ppm1 1.400 ppm2 7.461 CV 1
ASSI { 74}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
3.000 1.600 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.32241E-02 ppm1 4.678 ppm2 7.876 CV 1
ASSI { 75}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.800 2.300 2.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 3.905 ppm2 7.874 CV 1
ASSI { 76}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.000 1.600 1.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.27844E-02 ppm1 3.726 ppm2 7.875 CV 1
ASSI { 77}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.600 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.32387E-02 ppm1 3.823 ppm2 7.647 CV 1
ASSI { 78}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 9 and name HN ))
2.400 1.200 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.13438E-01 ppm1 3.981 ppm2 7.645 CV 1
ASSI { 79}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 9 and name HN ))
3.500 2.000 2.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19051E-02 ppm1 1.269 ppm2 7.645 CV 1
ASSI { 80}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.600 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.57887E-02 ppm1 3.997 ppm2 7.804 CV 1
ASSI { 81}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HN ))
2.600 1.300 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.84851E-02 ppm1 1.896 ppm2 7.807 CV 1
ASSI { 82}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HN ))
2.500 1.300 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.92033E-02 ppm1 0.930 ppm2 7.805 CV 1
OR { 82}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 35 and name HN ))
ASSI { 83}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HN ))
3.200 1.800 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.41620E-02 ppm1 3.007 ppm2 7.711 CV 1
ASSI { 84}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 66 and name HN ))
3.600 2.100 2.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.84557E-03 ppm1 2.939 ppm2 7.711 CV 1
ASSI { 85}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.900 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 4.578 ppm2 8.008 CV 1
ASSI { 86}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HN ))
3.500 2.000 2.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11489E-02 ppm1 4.193 ppm2 8.131 CV 1
ASSI { 87}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 68 and name HN ))
2.800 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.53050E-02 ppm1 1.345 ppm2 8.171 CV 1
ASSI { 88}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 60 and name HN ))
3.600 2.200 2.200 peak 88 spectrum 1 weight 0.10000E+01 volume 0.17586E-02 ppm1 0.768 ppm2 8.173 CV 1
ASSI { 89}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HN ))
2.900 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.36344E-02 ppm1 4.358 ppm2 8.173 CV 1
ASSI { 90}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 54 and name HN ))
5.100 3.700 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.29016E-03 ppm1 1.214 ppm2 8.175 CV 1
ASSI { 91}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
3.900 2.400 2.100 peak 91 spectrum 1 weight 0.10000E+01 volume 0.56421E-03 ppm1 4.476 ppm2 8.212 CV 1
ASSI { 92}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
3.200 1.800 1.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18758E-02 ppm1 4.559 ppm2 8.234 CV 1
ASSI { 93}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HN ))
3.100 1.700 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.30482E-02 ppm1 3.277 ppm2 8.257 CV 1
ASSI { 94}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HN ))
2.700 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.63895E-02 ppm1 2.886 ppm2 8.257 CV 1
ASSI { 95}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
3.100 1.700 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.22275E-02 ppm1 4.922 ppm2 8.255 CV 1
ASSI { 96}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HN ))
3.200 1.800 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.26965E-02 ppm1 2.236 ppm2 8.397 CV 1
ASSI { 97}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.900 1.500 1.500 peak 97 spectrum 1 weight 0.10000E+01 volume 0.32241E-02 ppm1 4.946 ppm2 8.397 CV 1
ASSI { 98}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HN ))
3.000 1.600 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.43671E-02 ppm1 2.455 ppm2 8.428 CV 1
ASSI { 99}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HN ))
3.800 2.300 2.200 peak 99 spectrum 1 weight 0.10000E+01 volume 0.89689E-03 ppm1 2.617 ppm2 8.428 CV 1
ASSI { 100}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HN ))
2.600 1.300 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.66972E-02 ppm1 4.569 ppm2 8.427 CV 1
ASSI { 101}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HN ))
3.900 2.400 2.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.64481E-03 ppm1 4.268 ppm2 8.411 CV 1
ASSI { 102}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 64 and name HN ))
3.000 1.600 1.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 1.384 ppm2 8.411 CV 1
ASSI { 103}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HN ))
3.100 1.700 1.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.23447E-02 ppm1 1.112 ppm2 8.395 CV 1
ASSI { 104}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 32 and name HN ))
3.100 1.700 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.46749E-02 ppm1 1.007 ppm2 8.396 CV 1
ASSI { 105}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
3.000 1.600 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.32241E-02 ppm1 4.403 ppm2 8.376 CV 1
ASSI { 106}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.800 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.41327E-02 ppm1 4.398 ppm2 8.541 CV 1
ASSI { 107}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.700 2.200 2.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.15534E-02 ppm1 2.903 ppm2 8.542 CV 1
ASSI { 108}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.400 1.900 1.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10991E-02 ppm1 2.776 ppm2 8.542 CV 1
ASSI { 109}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HN ))
3.000 1.600 1.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.30189E-02 ppm1 4.111 ppm2 8.540 CV 1
ASSI { 110}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 67 and name HN ))
3.400 2.000 2.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.16706E-02 ppm1 0.814 ppm2 8.541 CV 1
ASSI { 111}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 67 and name HN ))
2.600 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.86464E-02 ppm1 0.672 ppm2 8.542 CV 1
ASSI { 112}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 55 and name HN ))
6.000 5.000 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.087 ppm2 8.495 CV 1
ASSI { 113}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 55 and name HN ))
2.700 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.62869E-02 ppm1 3.897 ppm2 8.496 CV 1
ASSI { 114}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
3.200 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.18758E-02 ppm1 4.827 ppm2 8.469 CV 1
ASSI { 115}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
2.600 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.77668E-02 ppm1 3.751 ppm2 8.471 CV 1
OR { 115}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HN ))
ASSI { 116}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.200 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 1.785 ppm2 8.498 CV 1
ASSI { 117}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
2.700 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.69461E-02 ppm1 1.947 ppm2 8.498 CV 1
ASSI { 118}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
4.000 2.500 2.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.88514E-03 ppm1 2.224 ppm2 8.501 CV 1
ASSI { 119}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HN ))
3.500 2.000 2.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.18465E-02 ppm1 2.311 ppm2 8.500 CV 1
ASSI { 120}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
3.200 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18758E-02 ppm1 4.879 ppm2 8.499 CV 1
ASSI { 121}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
3.100 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 4.565 ppm2 8.564 CV 1
ASSI { 122}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 27 and name HN ))
2.600 1.300 1.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.86901E-02 ppm1 1.461 ppm2 8.563 CV 1
ASSI { 123}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
3.100 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.26085E-02 ppm1 4.844 ppm2 8.327 CV 1
ASSI { 124}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HN ))
3.700 2.200 2.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.12471E-02 ppm1 2.896 ppm2 8.330 CV 1
ASSI { 125}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
3.400 1.900 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.16413E-02 ppm1 2.792 ppm2 8.328 CV 1
ASSI { 126}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HN ))
3.800 2.300 2.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16706E-02 ppm1 2.705 ppm2 8.330 CV 1
ASSI { 127}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HN ))
3.000 1.600 1.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 2.596 ppm2 8.331 CV 1
ASSI { 128}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
2.800 1.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.48361E-02 ppm1 4.697 ppm2 8.326 CV 1
ASSI { 129}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.400 2.000 2.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.27551E-02 ppm1 3.709 ppm2 8.179 CV 1
ASSI { 130}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.800 1.400 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.48215E-02 ppm1 3.618 ppm2 8.179 CV 1
ASSI { 131}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HN ))
3.000 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.29310E-02 ppm1 4.308 ppm2 8.317 CV 1
ASSI { 132}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HN ))
3.800 2.300 2.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 1.208 ppm2 8.319 CV 1
ASSI { 133}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HN ))
4.600 3.100 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.20224E-03 ppm1 4.169 ppm2 8.344 CV 1
ASSI { 134}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HN ))
2.900 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.42059E-02 ppm1 1.440 ppm2 8.346 CV 1
ASSI { 135}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HN ))
2.800 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.33120E-02 ppm1 1.078 ppm2 8.346 CV 1
ASSI { 136}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HN ))
3.000 1.600 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.46162E-02 ppm1 2.811 ppm2 8.721 CV 1
ASSI { 137}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HN ))
2.600 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.45430E-02 ppm1 2.730 ppm2 8.720 CV 1
ASSI { 138}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.300 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.13527E-01 ppm1 4.280 ppm2 8.587 CV 1
ASSI { 139}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 8.586 CV 1
OR { 139}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 140}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HN ))
4.000 2.500 2.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 1.200 ppm2 8.210 CV 1
ASSI { 141}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.503 ppm2 8.586 CV 1
ASSI { 142}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.500 2.000 2.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.19198E-02 ppm1 3.936 ppm2 8.586 CV 1
ASSI { 143}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.837 ppm2 8.585 CV 1
ASSI { 144}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HN ))
6.000 5.000 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.925 ppm2 8.375 CV 1
OR { 144}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HN ))
ASSI { 145}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.712 ppm2 8.631 CV 1
ASSI { 146}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 4.899 ppm2 8.612 CV 1
ASSI { 147}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.400 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.90421E-02 ppm1 4.842 ppm2 8.694 CV 1
ASSI { 148}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
3.500 2.100 2.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11562E-02 ppm1 4.961 ppm2 8.623 CV 1
ASSI { 149}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 30 and name HN ))
3.000 1.600 1.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.30482E-02 ppm1 4.613 ppm2 8.737 CV 1
ASSI { 150}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HN ))
3.000 1.600 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.24181E-02 ppm1 5.677 ppm2 7.708 CV 1
ASSI { 151}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HN ))
3.000 1.700 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.27844E-02 ppm1 4.964 ppm2 7.914 CV 1
ASSI { 152}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 58 and name HN ))
2.700 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.71367E-02 ppm1 2.975 ppm2 7.913 CV 1
OR { 152}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HN ))
ASSI { 153}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
3.200 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 3.890 ppm2 8.687 CV 1
OR { 153}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 154}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
3.700 2.200 2.200 peak 154 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 1.784 ppm2 9.055 CV 1
ASSI { 155}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 40 and name HN ))
3.700 2.200 2.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.86313E-03 ppm1 1.947 ppm2 9.055 CV 1
ASSI { 156}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.400 1.200 1.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.10581E-01 ppm1 4.879 ppm2 9.056 CV 1
ASSI { 157}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
4.400 2.900 1.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.36490E-03 ppm1 9.054 ppm2 8.500 CV 1
ASSI { 158}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.300 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.13116E-01 ppm1 5.080 ppm2 9.464 CV 1
ASSI { 159}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
3.800 2.300 2.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.73862E-03 ppm1 3.005 ppm2 9.464 CV 1
ASSI { 160}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
4.700 3.200 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.35904E-03 ppm1 2.627 ppm2 9.465 CV 1
ASSI { 161}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
4.800 3.300 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.30042E-03 ppm1 9.465 ppm2 9.053 CV 1
ASSI { 162}
(( segid " " and resid 41 and name HA2 ))
(( segid " " and resid 42 and name HN ))
3.300 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.19051E-02 ppm1 4.426 ppm2 7.209 CV 1
ASSI { 163}
(( segid " " and resid 41 and name HA1 ))
(( segid " " and resid 42 and name HN ))
3.200 1.800 1.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.26672E-02 ppm1 3.744 ppm2 7.211 CV 1
ASSI { 164}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
2.700 1.400 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.50412E-02 ppm1 7.211 ppm2 9.464 CV 1
ASSI { 165}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 42 and name HN ))
2.600 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.81331E-02 ppm1 1.405 ppm2 7.211 CV 1
ASSI { 166}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
3.300 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.19051E-02 ppm1 4.738 ppm2 7.209 CV 1
ASSI { 167}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 42 and name HB% )
2.600 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.71518E-02 ppm1 4.738 ppm2 1.405 CV 1
ASSI { 168}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HN ))
2.400 1.200 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10566E-01 ppm1 1.405 ppm2 8.471 CV 1
ASSI { 169}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
4.500 3.000 1.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.38689E-03 ppm1 4.739 ppm2 8.471 CV 1
ASSI { 171}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
2.600 1.300 1.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.75475E-02 ppm1 4.828 ppm2 3.754 CV 1
OR { 171}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 172}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HN ))
2.300 1.200 1.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.12838E-01 ppm1 4.830 ppm2 8.901 CV 1
ASSI { 173}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 44 and name HN ))
3.100 1.700 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.35464E-02 ppm1 3.750 ppm2 8.901 CV 1
OR { 173}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 44 and name HN ))
ASSI { 174}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
5.000 3.700 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.18319E-03 ppm1 8.475 ppm2 8.901 CV 1
ASSI { 175}
(( segid " " and resid 44 and name HB ))
( segid " " and resid 44 and name HG1%)
2.400 1.200 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.10434E-01 ppm1 2.044 ppm2 0.829 CV 1
ASSI { 176}
(( segid " " and resid 44 and name HB ))
( segid " " and resid 44 and name HG2%)
2.400 1.200 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10581E-01 ppm1 2.043 ppm2 0.897 CV 1
ASSI { 177}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 44 and name HG1%)
2.900 1.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.39568E-02 ppm1 4.723 ppm2 0.829 CV 1
ASSI { 178}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 44 and name HG2%)
2.700 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.58912E-02 ppm1 4.723 ppm2 0.898 CV 1
ASSI { 179}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB ))
6.000 5.000 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.723 ppm2 2.043 CV 1
ASSI { 180}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HN ))
3.600 2.200 2.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.82944E-03 ppm1 4.723 ppm2 8.900 CV 1
ASSI { 181}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
2.500 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.79869E-02 ppm1 4.723 ppm2 9.124 CV 1
ASSI { 182}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 45 and name HN ))
3.200 1.800 1.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.32241E-02 ppm1 2.041 ppm2 9.124 CV 1
ASSI { 183}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 45 and name HN ))
6.000 5.000 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.900 ppm2 9.124 CV 1
ASSI { 184}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 45 and name HN ))
6.000 5.000 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.830 ppm2 9.120 CV 1
ASSI { 185}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
3.000 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 1.747 ppm2 9.122 CV 1
OR { 185}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
ASSI { 186}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HN ))
3.700 2.200 2.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.10068E-02 ppm1 1.249 ppm2 9.120 CV 1
OR { 186}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 45 and name HN ))
ASSI { 187}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HN ))
5.000 3.600 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.27258E-03 ppm1 1.592 ppm2 9.119 CV 1
OR { 187}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HN ))
ASSI { 188}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HG3 ))
2.100 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.20224E-01 ppm1 1.747 ppm2 1.243 CV 1
OR { 188}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HG2 ))
OR { 188}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HG3 ))
OR { 188}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 189}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HG2 ))
6.000 5.000 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.592 ppm2 1.245 CV 1
OR { 189}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HG3 ))
OR { 189}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HG2 ))
OR { 189}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HG3 ))
ASSI { 190}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HD3 ))
6.000 5.000 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 1.598 CV 1
OR { 190}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HD2 ))
OR { 190}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HD2 ))
OR { 190}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HD3 ))
ASSI { 191}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HG3 ))
3.300 1.900 1.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.18905E-02 ppm1 2.930 ppm2 1.246 CV 1
OR { 191}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HG3 ))
OR { 191}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HG2 ))
OR { 191}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 192}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HD3 ))
3.100 1.700 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.21103E-02 ppm1 2.931 ppm2 1.596 CV 1
OR { 192}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HD2 ))
OR { 192}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HD3 ))
OR { 192}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HD2 ))
ASSI { 193}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HB2 ))
3.100 1.700 1.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.39128E-02 ppm1 2.928 ppm2 1.750 CV 1
OR { 193}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HB2 ))
OR { 193}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HB3 ))
OR { 193}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 194}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.400 1.200 1.200 peak 194 spectrum 1 weight 0.10000E+01 volume 0.10581E-01 ppm1 4.908 ppm2 9.091 CV 1
ASSI { 195}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 46 and name HN ))
3.600 2.100 2.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 1.745 ppm2 9.091 CV 1
OR { 195}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 46 and name HN ))
ASSI { 196}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 46 and name HN ))
5.100 3.700 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.27258E-03 ppm1 1.592 ppm2 9.093 CV 1
OR { 196}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 46 and name HN ))
ASSI { 197}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 46 and name HN ))
4.700 3.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.40594E-03 ppm1 1.248 ppm2 9.091 CV 1
OR { 197}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 46 and name HN ))
ASSI { 198}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
2.300 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.14801E-01 ppm1 5.567 ppm2 9.616 CV 1
ASSI { 199}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 47 and name HN ))
3.900 2.400 2.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.59938E-03 ppm1 2.935 ppm2 9.618 CV 1
ASSI { 200}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 47 and name HN ))
3.900 2.400 2.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 2.800 ppm2 9.616 CV 1
ASSI { 201}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
4.800 3.300 1.200 peak 201 spectrum 1 weight 0.10000E+01 volume 0.22422E-03 ppm1 9.092 ppm2 9.616 CV 1
ASSI { 202}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 48 and name HN ))
3.100 1.700 1.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 3.047 ppm2 8.347 CV 1
ASSI { 203}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HN ))
3.600 2.100 2.100 peak 203 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 2.609 ppm2 8.345 CV 1
ASSI { 204}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
2.500 1.300 1.300 peak 204 spectrum 1 weight 0.10000E+01 volume 0.82069E-02 ppm1 5.754 ppm2 8.347 CV 1
ASSI { 205}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
4.800 3.300 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.28430E-03 ppm1 8.343 ppm2 9.613 CV 1
ASSI { 206}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HB2 ))
1.300 0.700 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.97603E-01 ppm1 1.444 ppm2 1.075 CV 1
ASSI { 207}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HD3 ))
2.800 1.500 1.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.34585E-02 ppm1 2.840 ppm2 1.437 CV 1
OR { 207}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HD2 ))
ASSI { 208}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HB2 ))
3.500 2.100 2.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.25646E-02 ppm1 2.840 ppm2 1.076 CV 1
ASSI { 209}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 49 and name HN ))
3.700 2.200 2.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.16267E-02 ppm1 1.078 ppm2 8.428 CV 1
ASSI { 210}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 49 and name HN ))
3.400 2.000 2.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 1.439 ppm2 8.428 CV 1
ASSI { 211}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
2.800 1.500 1.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.42792E-02 ppm1 4.170 ppm2 8.428 CV 1
ASSI { 212}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.705 ppm2 2.595 CV 1
ASSI { 213}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
2.700 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.72837E-02 ppm1 4.698 ppm2 2.595 CV 1
ASSI { 214}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB3 ))
3.000 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.29310E-02 ppm1 4.698 ppm2 2.705 CV 1
ASSI { 215}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
2.500 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10112E-01 ppm1 4.698 ppm2 8.130 CV 1
ASSI { 216}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.705 ppm2 8.130 CV 1
ASSI { 217}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 51 and name HN ))
4.200 2.700 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.80894E-03 ppm1 2.596 ppm2 8.130 CV 1
ASSI { 218}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.330 ppm2 8.134 CV 1
ASSI { 219}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 51 and name HN ))
2.700 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.79432E-02 ppm1 0.925 ppm2 8.130 CV 1
OR { 219}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 51 and name HN ))
ASSI { 220}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 51 and name HN ))
3.600 2.100 2.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 2.187 ppm2 8.130 CV 1
ASSI { 221}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG2%)
2.200 1.100 1.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.17146E-01 ppm1 2.187 ppm2 0.921 CV 1
OR { 221}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG1%)
ASSI { 222}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG1%)
6.000 5.000 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.193 ppm2 0.919 CV 1
OR { 222}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG2%)
ASSI { 223}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB ))
2.700 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.61550E-02 ppm1 4.191 ppm2 2.185 CV 1
ASSI { 224}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
4.100 2.700 1.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.40301E-03 ppm1 4.196 ppm2 8.318 CV 1
ASSI { 225}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 52 and name HN ))
3.400 1.900 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.20810E-02 ppm1 2.185 ppm2 8.316 CV 1
ASSI { 226}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 52 and name HN ))
2.800 1.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.55102E-02 ppm1 0.927 ppm2 8.319 CV 1
OR { 226}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 52 and name HN ))
ASSI { 227}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.129 ppm2 8.319 CV 1
ASSI { 228}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 52 and name HA ))
6.000 5.000 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.211 ppm2 4.305 CV 1
ASSI { 229}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 52 and name HG2%)
6.000 5.000 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.308 ppm2 1.206 CV 1
ASSI { 230}
(( segid " " and resid 52 and name HB ))
( segid " " and resid 52 and name HG2%)
2.400 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10053E-01 ppm1 4.213 ppm2 1.210 CV 1
ASSI { 231}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
3.000 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.29310E-02 ppm1 4.308 ppm2 8.330 CV 1
ASSI { 232}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 53 and name HN ))
6.000 5.000 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.211 ppm2 8.330 CV 1
ASSI { 233}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 53 and name HN ))
4.000 2.500 2.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 1.207 ppm2 8.329 CV 1
ASSI { 234}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HB2 ))
6.000 5.000 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.897 ppm2 2.792 CV 1
ASSI { 235}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB2 ))
2.700 1.400 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.61110E-02 ppm1 4.841 ppm2 2.792 CV 1
ASSI { 236}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
2.700 1.400 1.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.63016E-02 ppm1 4.842 ppm2 2.900 CV 1
ASSI { 237}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HD21))
3.500 2.100 2.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 2.897 ppm2 7.715 CV 1
ASSI { 238}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HD21))
3.100 1.700 1.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 2.792 ppm2 7.717 CV 1
ASSI { 239}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HD21))
5.400 4.100 0.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.12501E-03 ppm1 4.844 ppm2 7.715 CV 1
ASSI { 240}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HD21))
1.600 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.59206E-01 ppm1 6.917 ppm2 7.717 CV 1
ASSI { 241}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HD22))
6.000 5.100 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.12501E-03 ppm1 4.844 ppm2 6.923 CV 1
ASSI { 242}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HD22))
6.000 6.000 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.66826E-04 ppm1 2.899 ppm2 6.925 CV 1
ASSI { 243}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HD22))
5.200 3.900 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.35464E-03 ppm1 2.792 ppm2 6.923 CV 1
ASSI { 244}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
2.900 1.600 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.37809E-02 ppm1 4.844 ppm2 8.174 CV 1
ASSI { 245}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 54 and name HN ))
3.600 2.100 2.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11885E-02 ppm1 2.894 ppm2 8.174 CV 1
ASSI { 246}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 54 and name HN ))
6.000 5.000 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.792 ppm2 8.176 CV 1
ASSI { 247}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HN ))
6.000 5.000 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.174 ppm2 8.330 CV 1
ASSI { 248}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 54 and name HN ))
6.000 5.000 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.324 ppm2 8.173 CV 1
ASSI { 249}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HN ))
2.900 1.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.37076E-02 ppm1 4.358 ppm2 8.495 CV 1
ASSI { 250}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 55 and name HN ))
6.000 5.000 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.324 ppm2 8.495 CV 1
ASSI { 251}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 55 and name HN ))
3.900 2.400 2.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.94815E-03 ppm1 1.216 ppm2 8.495 CV 1
ASSI { 252}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HN ))
3.300 1.900 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.21250E-02 ppm1 8.172 ppm2 8.496 CV 1
ASSI { 253}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 55 and name HA1 ))
2.000 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13350E-01 ppm1 4.088 ppm2 3.896 CV 1
ASSI { 254}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE21))
4.500 3.000 1.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.18025E-03 ppm1 2.224 ppm2 7.402 CV 1
ASSI { 255}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HE21))
6.000 5.200 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.42499E-04 ppm1 2.311 ppm2 7.400 CV 1
ASSI { 256}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HE21))
6.000 5.000 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.878 ppm2 7.402 CV 1
ASSI { 257}
(( segid " " and resid 39 and name HE22))
(( segid " " and resid 39 and name HE21))
1.700 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.42059E-01 ppm1 6.774 ppm2 7.402 CV 1
ASSI { 258}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE22))
6.000 5.000 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.224 ppm2 6.773 CV 1
ASSI { 259}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB2 ))
6.000 5.000 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.448 ppm2 2.070 CV 1
OR { 259}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB2 ))
ASSI { 260}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB3 ))
3.100 1.700 1.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.26525E-02 ppm1 2.454 ppm2 2.181 CV 1
OR { 260}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB3 ))
ASSI { 261}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HB2 ))
1.900 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.12501E-01 ppm1 2.185 ppm2 2.076 CV 1
ASSI { 262}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
3.500 2.000 2.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.19051E-02 ppm1 4.806 ppm2 2.450 CV 1
OR { 262}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 263}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
2.800 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.40594E-02 ppm1 4.807 ppm2 2.181 CV 1
ASSI { 264}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
3.100 1.700 1.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.24034E-02 ppm1 4.807 ppm2 2.074 CV 1
ASSI { 265}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
4.300 2.800 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.38102E-03 ppm1 9.104 ppm2 8.690 CV 1
ASSI { 266}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD% )
2.600 1.300 1.300 peak 266 spectrum 1 weight 0.10000E+01 volume 0.68730E-02 ppm1 2.788 ppm2 6.803 CV 1
ASSI { 267}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HE% )
4.700 3.200 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.73418E-03 ppm1 2.788 ppm2 6.592 CV 1
ASSI { 268}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HD% )
2.200 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.14948E-01 ppm1 2.626 ppm2 6.805 CV 1
ASSI { 269}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HE% )
3.700 2.200 2.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.32826E-02 ppm1 2.622 ppm2 6.590 CV 1
ASSI { 270}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HE% )
4.700 3.200 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.62722E-03 ppm1 4.715 ppm2 6.592 CV 1
ASSI { 271}
( segid " " and resid 18 and name HE% )
( segid " " and resid 18 and name HD% )
2.000 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.25939E-01 ppm1 6.593 ppm2 6.801 CV 1
ASSI { 272}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HN ))
2.900 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.36051E-02 ppm1 6.800 ppm2 9.533 CV 1
ASSI { 273}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 18 and name HN ))
5.300 4.000 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.24327E-03 ppm1 6.593 ppm2 9.533 CV 1
ASSI { 274}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
6.000 5.000 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.788 ppm2 2.625 CV 1
ASSI { 275}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.300 1.900 1.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.26672E-02 ppm1 2.624 ppm2 9.127 CV 1
ASSI { 276}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
6.000 5.000 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.788 ppm2 9.127 CV 1
ASSI { 277}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.500 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.79869E-02 ppm1 4.713 ppm2 9.127 CV 1
ASSI { 278}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
3.000 1.600 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.57153E-02 ppm1 9.126 ppm2 9.533 CV 1
ASSI { 279}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.200 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.18172E-01 ppm1 5.442 ppm2 9.906 CV 1
ASSI { 280}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
5.000 3.600 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.32534E-03 ppm1 3.110 ppm2 9.906 CV 1
ASSI { 281}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
4.800 3.300 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.56861E-03 ppm1 2.809 ppm2 9.906 CV 1
ASSI { 282}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
3.700 2.200 2.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 9.128 ppm2 9.908 CV 1
ASSI { 283}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.840 ppm2 2.728 CV 1
ASSI { 284}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
4.000 2.500 2.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 9.102 ppm2 9.906 CV 1
ASSI { 285}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.200 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.20224E-01 ppm1 5.720 ppm2 9.103 CV 1
ASSI { 286}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.700 1.400 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.46455E-02 ppm1 2.840 ppm2 9.103 CV 1
ASSI { 287}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
4.700 3.200 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.42059E-03 ppm1 2.729 ppm2 9.103 CV 1
ASSI { 288}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.228 ppm2 9.533 CV 1
OR { 288}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 289}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
4.100 2.600 1.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.18612E-02 ppm1 1.994 ppm2 9.535 CV 1
ASSI { 290}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG3 ))
2.700 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.38982E-02 ppm1 3.617 ppm2 2.225 CV 1
OR { 290}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 291}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HG2 ))
2.500 1.300 1.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.62869E-02 ppm1 3.702 ppm2 2.227 CV 1
OR { 291}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HG3 ))
ASSI { 292}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB3 ))
6.000 5.000 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.619 ppm2 1.996 CV 1
ASSI { 293}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HB3 ))
6.000 5.000 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.706 ppm2 1.996 CV 1
ASSI { 294}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
6.000 5.000 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.615 ppm2 1.678 CV 1
ASSI { 295}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HB2 ))
6.000 5.000 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.707 ppm2 1.674 CV 1
ASSI { 297}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
3.300 1.900 1.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.96284E-03 ppm1 5.262 ppm2 1.996 CV 1
ASSI { 298}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
3.100 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.34145E-02 ppm1 5.259 ppm2 1.672 CV 1
ASSI { 299}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HD2 ))
6.000 5.000 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.704 ppm2 3.617 CV 1
ASSI { 300}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD2 ))
4.300 2.800 1.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.56421E-03 ppm1 5.261 ppm2 3.618 CV 1
ASSI { 301}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD3 ))
4.400 2.900 1.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.34585E-03 ppm1 5.259 ppm2 3.705 CV 1
ASSI { 302}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.100 1.100 1.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.19198E-01 ppm1 5.261 ppm2 9.531 CV 1
ASSI { 303}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
2.700 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.50266E-02 ppm1 4.485 ppm2 3.879 CV 1
OR { 303}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 304}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.500 1.300 1.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.90421E-02 ppm1 4.800 ppm2 8.689 CV 1
ASSI { 305}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
4.000 2.500 2.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.55688E-03 ppm1 2.076 ppm2 8.689 CV 1
ASSI { 306}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
3.100 1.700 1.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.41327E-02 ppm1 2.185 ppm2 8.689 CV 1
ASSI { 307}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 22 and name HN ))
3.700 2.200 2.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 2.453 ppm2 8.691 CV 1
OR { 307}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 308}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.485 ppm2 8.628 CV 1
ASSI { 309}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.886 ppm2 8.630 CV 1
OR { 309}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 310}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HN ))
3.400 2.000 2.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.18758E-02 ppm1 2.463 ppm2 8.630 CV 1
OR { 310}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 311}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
4.700 3.300 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.39861E-03 ppm1 2.061 ppm2 8.630 CV 1
ASSI { 312}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.600 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.53343E-02 ppm1 1.894 ppm2 8.630 CV 1
ASSI { 313}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
1.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.36783E-01 ppm1 2.063 ppm2 1.894 CV 1
ASSI { 314}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
2.700 1.400 1.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.55688E-02 ppm1 2.466 ppm2 1.890 CV 1
OR { 314}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 315}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.463 ppm2 2.055 CV 1
OR { 315}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 316}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG3 ))
2.800 1.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.60231E-02 ppm1 4.711 ppm2 2.467 CV 1
OR { 316}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 317}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.711 ppm2 2.060 CV 1
ASSI { 318}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.600 1.400 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.71812E-02 ppm1 4.713 ppm2 8.589 CV 1
ASSI { 319}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 24 and name HN ))
4.900 3.500 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33706E-03 ppm1 2.465 ppm2 8.589 CV 1
OR { 319}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 320}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.800 2.300 2.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.70636E-03 ppm1 2.061 ppm2 8.587 CV 1
ASSI { 321}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
4.400 3.000 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.31948E-03 ppm1 1.893 ppm2 8.589 CV 1
ASSI { 322}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB3 ))
2.900 1.500 1.500 peak 322 spectrum 1 weight 0.10000E+01 volume 0.40594E-02 ppm1 4.280 ppm2 3.865 CV 1
OR { 322}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 323}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
4.300 2.800 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.33413E-03 ppm1 8.587 ppm2 8.816 CV 1
ASSI { 324}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
2.400 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.12940E-01 ppm1 4.279 ppm2 8.817 CV 1
ASSI { 325}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
3.200 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.30335E-02 ppm1 3.864 ppm2 8.817 CV 1
OR { 325}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
ASSI { 326}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HA1 ))
2.000 1.000 1.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.15974E-01 ppm1 4.107 ppm2 3.830 CV 1
ASSI { 327}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HN ))
3.300 1.900 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 3.832 ppm2 7.874 CV 1
ASSI { 328}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 26 and name HN ))
3.200 1.700 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.26085E-02 ppm1 4.106 ppm2 7.876 CV 1
ASSI { 329}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
3.100 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 7.877 ppm2 8.817 CV 1
ASSI { 330}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HB2 ))
2.000 1.000 1.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.13717E-01 ppm1 3.908 ppm2 3.723 CV 1
ASSI { 331}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
3.600 2.100 2.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 4.678 ppm2 3.723 CV 1
ASSI { 332}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.900 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.33560E-02 ppm1 4.678 ppm2 3.906 CV 1
ASSI { 333}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.700 1.400 1.400 peak 333 spectrum 1 weight 0.10000E+01 volume 0.71812E-02 ppm1 4.678 ppm2 8.566 CV 1
ASSI { 334}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
4.100 2.600 1.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.45430E-03 ppm1 7.875 ppm2 8.566 CV 1
ASSI { 335}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
6.000 5.000 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.906 ppm2 8.566 CV 1
ASSI { 336}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.700 2.200 2.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.98184E-03 ppm1 3.725 ppm2 8.566 CV 1
ASSI { 337}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HB% )
2.400 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.12339E-01 ppm1 4.564 ppm2 1.462 CV 1
ASSI { 338}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
3.200 1.800 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 8.178 ppm2 8.562 CV 1
ASSI { 339}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.500 2.000 2.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.12398E-02 ppm1 4.563 ppm2 8.180 CV 1
ASSI { 340}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 28 and name HN ))
3.500 2.000 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 1.465 ppm2 8.180 CV 1
ASSI { 341}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD2 ))
2.400 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.12061E-01 ppm1 4.836 ppm2 3.620 CV 1
ASSI { 342}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD3 ))
2.500 1.300 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.58472E-02 ppm1 4.836 ppm2 3.710 CV 1
ASSI { 343}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HN ))
3.400 2.000 2.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.17586E-02 ppm1 8.178 ppm2 8.957 CV 1
ASSI { 344}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
2.300 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.12003E-01 ppm1 4.840 ppm2 8.956 CV 1
ASSI { 345}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.100 1.700 1.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.26672E-02 ppm1 3.707 ppm2 8.957 CV 1
ASSI { 346}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.400 2.000 2.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.14801E-02 ppm1 3.622 ppm2 8.957 CV 1
ASSI { 347}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HN ))
3.800 2.300 2.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.12031E-02 ppm1 -0.016 ppm2 8.951 CV 1
ASSI { 348}
(( segid " " and resid 61 and name HG12))
( segid " " and resid 61 and name HD1%)
2.800 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.33560E-02 ppm1 0.598 ppm2 -0.015 CV 1
ASSI { 349}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HG12))
2.800 1.500 1.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.56275E-02 ppm1 4.197 ppm2 0.599 CV 1
ASSI { 350}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HG2%)
2.900 1.600 1.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.36198E-02 ppm1 4.199 ppm2 0.691 CV 1
ASSI { 351}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HD1%)
3.800 2.300 2.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.21835E-02 ppm1 4.196 ppm2 -0.016 CV 1
ASSI { 352}
( segid " " and resid 61 and name HG2%)
( segid " " and resid 61 and name HD1%)
2.600 1.300 1.300 peak 352 spectrum 1 weight 0.10000E+01 volume 0.93352E-02 ppm1 0.691 ppm2 -0.016 CV 1
ASSI { 353}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 31 and name HN ))
2.700 1.400 1.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.64041E-02 ppm1 4.607 ppm2 9.183 CV 1
ASSI { 355}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.97453E-02 ppm1 5.695 ppm2 8.394 CV 1
ASSI { 356}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.300 1.900 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 2.885 ppm2 8.394 CV 1
ASSI { 357}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
4.000 2.500 2.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.66972E-03 ppm1 2.620 ppm2 8.394 CV 1
ASSI { 358}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
4.300 2.800 1.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.54076E-03 ppm1 8.397 ppm2 9.182 CV 1
ASSI { 359}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 32 and name HG2%)
6.000 5.000 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.000 ppm2 1.119 CV 1
ASSI { 360}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG1%)
2.400 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.10962E-01 ppm1 2.238 ppm2 1.004 CV 1
ASSI { 361}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG2%)
2.400 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.98628E-02 ppm1 2.235 ppm2 1.116 CV 1
ASSI { 362}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HG2%)
2.600 1.400 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.97897E-02 ppm1 4.945 ppm2 1.116 CV 1
ASSI { 363}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HG1%)
2.800 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.46162E-02 ppm1 4.948 ppm2 1.003 CV 1
ASSI { 364}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.200 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.15387E-01 ppm1 4.946 ppm2 8.730 CV 1
ASSI { 365}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HN ))
3.000 1.600 1.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.41327E-02 ppm1 2.235 ppm2 8.729 CV 1
ASSI { 366}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.113 ppm2 8.730 CV 1
ASSI { 367}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 33 and name HN ))
4.500 3.000 1.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.60378E-03 ppm1 1.006 ppm2 8.732 CV 1
ASSI { 368}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 33 and name HG1%)
6.000 5.000 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.995 ppm2 0.826 CV 1
ASSI { 369}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG1%)
2.600 1.300 1.300 peak 369 spectrum 1 weight 0.10000E+01 volume 0.69174E-02 ppm1 1.913 ppm2 0.825 CV 1
ASSI { 370}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG2%)
2.500 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.74593E-02 ppm1 1.913 ppm2 0.998 CV 1
ASSI { 371}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB ))
2.700 1.400 1.400 peak 371 spectrum 1 weight 0.10000E+01 volume 0.45870E-02 ppm1 3.464 ppm2 1.911 CV 1
ASSI { 372}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG2%)
2.800 1.500 1.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.43378E-02 ppm1 3.467 ppm2 0.996 CV 1
ASSI { 373}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG1%)
3.600 2.100 2.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 3.465 ppm2 0.825 CV 1
ASSI { 375}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 34 and name HN ))
2.600 1.300 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.55395E-02 ppm1 4.078 ppm2 8.096 CV 1
ASSI { 376}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.100 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.19491E-01 ppm1 3.472 ppm2 8.097 CV 1
ASSI { 377}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 34 and name HN ))
4.100 2.600 1.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.90270E-03 ppm1 1.913 ppm2 8.096 CV 1
ASSI { 378}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
3.800 2.300 2.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.11562E-02 ppm1 0.995 ppm2 8.096 CV 1
ASSI { 379}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 34 and name HN ))
3.200 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.30775E-02 ppm1 0.826 ppm2 8.094 CV 1
ASSI { 380}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 35 and name HN ))
2.600 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.63162E-02 ppm1 4.080 ppm2 7.805 CV 1
ASSI { 381}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
5.000 3.600 1.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.25646E-03 ppm1 8.096 ppm2 7.803 CV 1
ASSI { 382}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG1%)
2.200 1.100 1.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.17879E-01 ppm1 1.898 ppm2 0.935 CV 1
OR { 382}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG2%)
ASSI { 383}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG1%)
2.500 1.300 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.87632E-02 ppm1 3.997 ppm2 0.933 CV 1
OR { 383}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG2%)
ASSI { 384}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB ))
3.000 1.600 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.30482E-02 ppm1 3.997 ppm2 1.898 CV 1
ASSI { 385}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 36 and name HN ))
2.400 1.200 1.200 peak 385 spectrum 1 weight 0.10000E+01 volume 0.91740E-02 ppm1 1.896 ppm2 8.702 CV 1
ASSI { 386}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 36 and name HN ))
3.000 1.600 1.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.39568E-02 ppm1 0.930 ppm2 8.703 CV 1
OR { 386}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 36 and name HN ))
ASSI { 387}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
2.300 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.13834E-01 ppm1 3.997 ppm2 8.702 CV 1
ASSI { 389}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HN ))
6.000 5.000 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.806 ppm2 8.702 CV 1
ASSI { 390}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 36 and name HN ))
2.700 1.400 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.48800E-02 ppm1 1.571 ppm2 8.702 CV 1
ASSI { 391}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 36 and name HN ))
3.900 2.400 2.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.69611E-03 ppm1 1.063 ppm2 8.702 CV 1
ASSI { 392}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HN ))
3.500 2.000 2.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 0.867 ppm2 8.702 CV 1
ASSI { 393}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HN ))
3.300 1.900 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 0.812 ppm2 8.702 CV 1
ASSI { 394}
(( segid " " and resid 36 and name HG12))
( segid " " and resid 36 and name HD1%)
2.900 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 1.063 ppm2 0.808 CV 1
ASSI { 395}
(( segid " " and resid 36 and name HG12))
( segid " " and resid 36 and name HG2%)
6.000 5.000 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.063 ppm2 0.871 CV 1
ASSI { 396}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 36 and name HG12))
1.800 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.21250E-01 ppm1 1.571 ppm2 1.061 CV 1
ASSI { 397}
(( segid " " and resid 36 and name HG13))
( segid " " and resid 36 and name HG2%)
3.400 1.900 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.24473E-02 ppm1 1.571 ppm2 0.868 CV 1
ASSI { 398}
(( segid " " and resid 36 and name HG13))
( segid " " and resid 36 and name HD1%)
6.000 5.000 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.569 ppm2 0.808 CV 1
ASSI { 399}
(( segid " " and resid 36 and name HB ))
( segid " " and resid 36 and name HD1%)
4.100 2.600 1.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.59059E-03 ppm1 1.803 ppm2 0.807 CV 1
ASSI { 400}
(( segid " " and resid 36 and name HB ))
( segid " " and resid 36 and name HG2%)
2.300 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.13688E-01 ppm1 1.804 ppm2 0.868 CV 1
ASSI { 401}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HG12))
3.700 2.200 2.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.99359E-03 ppm1 1.804 ppm2 1.063 CV 1
ASSI { 402}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HG13))
2.800 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.34732E-02 ppm1 1.806 ppm2 1.575 CV 1
ASSI { 403}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB ))
3.100 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28137E-02 ppm1 3.436 ppm2 1.800 CV 1
ASSI { 404}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG13))
3.300 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 3.438 ppm2 1.572 CV 1
ASSI { 405}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG12))
3.100 1.700 1.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 3.437 ppm2 1.063 CV 1
ASSI { 406}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HG2%)
2.700 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.47189E-02 ppm1 3.438 ppm2 0.867 CV 1
ASSI { 407}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HD1%)
3.900 2.400 2.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 3.436 ppm2 0.810 CV 1
ASSI { 408}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
4.400 2.900 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.33267E-03 ppm1 8.701 ppm2 9.120 CV 1
ASSI { 409}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.200 1.100 1.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.17732E-01 ppm1 3.436 ppm2 9.120 CV 1
ASSI { 410}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 37 and name HN ))
5.100 3.700 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.27258E-03 ppm1 1.570 ppm2 9.120 CV 1
ASSI { 411}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.805 ppm2 9.120 CV 1
ASSI { 412}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.062 ppm2 9.120 CV 1
ASSI { 413}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.809 ppm2 9.120 CV 1
ASSI { 414}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HN ))
3.500 2.100 2.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 0.866 ppm2 9.120 CV 1
ASSI { 416}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 38 and name HN ))
3.200 1.800 1.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 3.591 ppm2 8.235 CV 1
ASSI { 417}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 38 and name HN ))
3.200 1.800 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 4.408 ppm2 8.234 CV 1
ASSI { 418}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
6.000 5.000 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.011 ppm2 8.234 CV 1
ASSI { 419}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.900 1.600 1.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.47921E-02 ppm1 3.876 ppm2 8.234 CV 1
ASSI { 420}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HB2 ))
2.100 1.100 1.100 peak 420 spectrum 1 weight 0.10000E+01 volume 0.90421E-02 ppm1 4.011 ppm2 3.879 CV 1
ASSI { 421}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
3.000 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.31654E-02 ppm1 4.559 ppm2 4.011 CV 1
ASSI { 422}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.700 1.400 1.400 peak 422 spectrum 1 weight 0.10000E+01 volume 0.56861E-02 ppm1 4.559 ppm2 3.879 CV 1
ASSI { 423}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
5.600 4.400 0.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.96428E-04 ppm1 8.499 ppm2 8.234 CV 1
ASSI { 424}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.300 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.15681E-01 ppm1 4.559 ppm2 8.499 CV 1
ASSI { 425}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.100 1.700 1.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.35171E-02 ppm1 4.011 ppm2 8.499 CV 1
ASSI { 426}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.900 1.600 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.62869E-02 ppm1 3.876 ppm2 8.499 CV 1
ASSI { 427}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 67 and name HN ))
3.100 1.700 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 2.030 ppm2 8.542 CV 1
ASSI { 428}
( segid " " and resid 67 and name HG2%)
( segid " " and resid 67 and name HG1%)
2.700 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.66972E-02 ppm1 0.814 ppm2 0.670 CV 1
ASSI { 429}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 67 and name HG1%)
2.400 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.93646E-02 ppm1 2.028 ppm2 0.669 CV 1
ASSI { 430}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 67 and name HG2%)
2.400 1.200 1.200 peak 430 spectrum 1 weight 0.10000E+01 volume 0.10434E-01 ppm1 2.030 ppm2 0.811 CV 1
ASSI { 431}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 67 and name HG1%)
3.000 1.600 1.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.40301E-02 ppm1 4.111 ppm2 0.670 CV 1
ASSI { 432}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 67 and name HG2%)
3.000 1.600 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.38982E-02 ppm1 4.111 ppm2 0.812 CV 1
ASSI { 433}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB ))
2.700 1.400 1.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.51585E-02 ppm1 4.111 ppm2 2.031 CV 1
ASSI { 434}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 68 and name HN ))
3.500 2.000 2.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 2.030 ppm2 8.171 CV 1
ASSI { 435}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 68 and name HN ))
3.500 2.000 2.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.13322E-02 ppm1 0.814 ppm2 8.171 CV 1
ASSI { 436}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 68 and name HN ))
3.900 2.400 2.100 peak 436 spectrum 1 weight 0.10000E+01 volume 0.94084E-03 ppm1 0.672 ppm2 8.171 CV 1
ASSI { 437}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HN ))
6.000 5.000 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.109 ppm2 8.171 CV 1
ASSI { 438}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HN ))
3.100 1.700 1.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 8.169 ppm2 8.540 CV 1
ASSI { 439}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 68 and name HB% )
2.700 1.400 1.400 peak 439 spectrum 1 weight 0.10000E+01 volume 0.60525E-02 ppm1 4.100 ppm2 1.349 CV 1
ASSI { 440}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HN ))
6.000 5.000 0.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.100 ppm2 8.172 CV 1
ASSI { 441}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HB2 ))
6.000 5.000 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.006 ppm2 2.938 CV 1
ASSI { 442}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB2 ))
2.800 1.400 1.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.46162E-02 ppm1 5.677 ppm2 2.938 CV 1
ASSI { 443}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB3 ))
3.000 1.700 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 5.677 ppm2 3.003 CV 1
ASSI { 444}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HN ))
2.400 1.200 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.82801E-02 ppm1 5.675 ppm2 8.541 CV 1
ASSI { 445}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HN ))
5.400 4.100 0.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.19931E-03 ppm1 7.708 ppm2 8.540 CV 1
ASSI { 446}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 67 and name HN ))
3.400 2.000 2.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.12779E-02 ppm1 3.006 ppm2 8.540 CV 1
ASSI { 447}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 67 and name HN ))
3.500 2.100 2.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.25353E-02 ppm1 2.938 ppm2 8.540 CV 1
ASSI { 448}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HB2 ))
1.700 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.35171E-01 ppm1 3.277 ppm2 2.884 CV 1
ASSI { 449}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB3 ))
2.600 1.400 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.53637E-02 ppm1 4.923 ppm2 3.278 CV 1
ASSI { 450}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB2 ))
3.100 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.33706E-02 ppm1 4.922 ppm2 2.883 CV 1
ASSI { 451}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
3.200 1.800 1.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.22569E-02 ppm1 4.922 ppm2 7.708 CV 1
ASSI { 452}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 66 and name HN ))
4.700 3.300 1.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.47189E-03 ppm1 3.279 ppm2 7.713 CV 1
ASSI { 453}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 66 and name HN ))
3.400 1.900 1.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 2.886 ppm2 7.710 CV 1
ASSI { 454}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HN ))
2.600 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.51731E-02 ppm1 7.708 ppm2 8.257 CV 1
ASSI { 455}
(( segid " " and resid 65 and name HD22))
(( segid " " and resid 65 and name HD21))
1.700 0.800 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.35025E-01 ppm1 7.040 ppm2 7.562 CV 1
ASSI { 456}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HD21))
6.000 5.100 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.11137E-03 ppm1 4.923 ppm2 7.565 CV 1
ASSI { 457}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HD22))
6.000 5.700 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.12574E-03 ppm1 4.923 ppm2 7.041 CV 1
ASSI { 458}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HD22))
4.500 3.100 1.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.89245E-03 ppm1 3.276 ppm2 7.042 CV 1
ASSI { 459}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HD22))
4.600 3.200 1.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.75181E-03 ppm1 2.887 ppm2 7.041 CV 1
ASSI { 460}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HD21))
3.300 1.900 1.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 3.279 ppm2 7.562 CV 1
ASSI { 461}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HD21))
3.500 2.000 2.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.60817E-03 ppm1 2.884 ppm2 7.560 CV 1
ASSI { 462}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HN ))
3.700 2.200 2.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.12178E-02 ppm1 4.269 ppm2 8.258 CV 1
ASSI { 463}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 65 and name HN ))
3.100 1.700 1.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 1.383 ppm2 8.258 CV 1
ASSI { 464}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 64 and name HB% )
2.400 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.13218E-01 ppm1 4.268 ppm2 1.380 CV 1
ASSI { 465}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HN ))
6.000 5.000 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.253 ppm2 8.410 CV 1
ASSI { 466}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HE21))
3.000 1.600 1.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 2.446 ppm2 7.518 CV 1
OR { 466}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HE21))
ASSI { 467}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HE22))
5.000 3.600 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.40740E-03 ppm1 2.447 ppm2 6.872 CV 1
OR { 467}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HE22))
ASSI { 468}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HE21))
6.000 5.000 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.183 ppm2 7.518 CV 1
ASSI { 469}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HE21))
6.000 5.000 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.075 ppm2 7.517 CV 1
ASSI { 470}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HE22))
6.000 6.000 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.67412E-04 ppm1 2.075 ppm2 6.872 CV 1
ASSI { 471}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HE22))
6.000 5.000 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.185 ppm2 6.873 CV 1
ASSI { 472}
(( segid " " and resid 21 and name HE22))
(( segid " " and resid 21 and name HE21))
6.000 5.000 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.872 ppm2 7.518 CV 1
ASSI { 473}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.500 2.000 2.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.20224E-02 ppm1 2.929 ppm2 8.611 CV 1
ASSI { 474}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.658 ppm2 8.609 CV 1
ASSI { 475}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HB2 ))
6.000 5.000 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.928 ppm2 2.658 CV 1
ASSI { 476}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
2.800 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.47481E-02 ppm1 4.899 ppm2 2.658 CV 1
ASSI { 477}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.600 1.400 1.400 peak 477 spectrum 1 weight 0.10000E+01 volume 0.64774E-02 ppm1 4.899 ppm2 2.929 CV 1
ASSI { 478}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD21))
5.600 4.400 0.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.98334E-04 ppm1 4.899 ppm2 7.592 CV 1
ASSI { 479}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD21))
6.000 5.000 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.660 ppm2 7.591 CV 1
ASSI { 480}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD22))
5.800 4.800 0.200 peak 480 spectrum 1 weight 0.10000E+01 volume 0.19198E-03 ppm1 2.660 ppm2 6.917 CV 1
ASSI { 481}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD22))
5.200 3.900 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.38689E-03 ppm1 2.928 ppm2 6.917 CV 1
ASSI { 482}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 8 and name HD21))
1.800 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.30629E-01 ppm1 6.918 ppm2 7.589 CV 1
ASSI { 483}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.600 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.30629E-02 ppm1 4.899 ppm2 7.645 CV 1
ASSI { 484}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
4.500 3.000 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.41620E-03 ppm1 2.931 ppm2 7.645 CV 1
ASSI { 485}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
5.400 4.100 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.16560E-03 ppm1 2.658 ppm2 7.646 CV 1
ASSI { 486}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
2.800 1.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.51878E-02 ppm1 7.642 ppm2 8.612 CV 1
ASSI { 487}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 9 and name HA ))
2.300 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.14200E-01 ppm1 3.981 ppm2 3.823 CV 1
ASSI { 488}
(( segid " " and resid 9 and name HB ))
( segid " " and resid 9 and name HG2%)
2.500 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.80012E-02 ppm1 3.981 ppm2 1.270 CV 1
ASSI { 489}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HG2%)
2.700 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.63016E-02 ppm1 3.823 ppm2 1.270 CV 1
ASSI { 490}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
2.800 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.51878E-02 ppm1 7.642 ppm2 8.623 CV 1
ASSI { 491}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 10 and name HN ))
6.000 5.000 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.983 ppm2 8.620 CV 1
ASSI { 492}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 5.000 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.823 ppm2 8.620 CV 1
ASSI { 493}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 10 and name HN ))
3.700 2.200 2.200 peak 493 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 1.269 ppm2 8.623 CV 1
ASSI { 494}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.700 2.200 2.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.12471E-02 ppm1 3.071 ppm2 8.621 CV 1
ASSI { 495}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.400 1.900 1.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 2.697 ppm2 8.621 CV 1
ASSI { 496}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HB2 ))
1.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.30042E-01 ppm1 3.071 ppm2 2.697 CV 1
ASSI { 497}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.600 1.300 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.80163E-02 ppm1 4.961 ppm2 3.071 CV 1
ASSI { 498}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
3.000 1.600 1.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.32680E-02 ppm1 4.961 ppm2 2.696 CV 1
ASSI { 499}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.600 1.300 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.76206E-02 ppm1 4.961 ppm2 8.584 CV 1
ASSI { 500}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.600 2.100 2.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 3.071 ppm2 8.585 CV 1
ASSI { 501}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.697 ppm2 8.585 CV 1
ASSI { 502}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
2.000 1.000 1.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.14200E-01 ppm1 3.937 ppm2 3.837 CV 1
ASSI { 503}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.800 1.500 1.500 peak 503 spectrum 1 weight 0.10000E+01 volume 0.50266E-02 ppm1 4.504 ppm2 3.837 CV 1
ASSI { 504}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
3.100 1.700 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.25646E-02 ppm1 4.504 ppm2 3.936 CV 1
ASSI { 505}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
3.000 1.600 1.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.28870E-02 ppm1 4.505 ppm2 7.464 CV 1
ASSI { 506}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
4.400 2.900 1.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.49973E-03 ppm1 3.940 ppm2 7.464 CV 1
ASSI { 507}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
4.700 3.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.35611E-03 ppm1 3.836 ppm2 7.464 CV 1
ASSI { 508}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
3.100 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 7.462 ppm2 8.584 CV 1
ASSI { 509}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HN ))
2.900 1.600 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.30775E-02 ppm1 1.345 ppm2 7.463 CV 1
ASSI { 510}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HN ))
3.600 2.100 2.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 0.952 ppm2 7.463 CV 1
ASSI { 511}
(( segid " " and resid 12 and name HG12))
( segid " " and resid 12 and name HD1%)
2.500 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.85876E-02 ppm1 0.953 ppm2 0.552 CV 1
ASSI { 512}
( segid " " and resid 12 and name HG2%)
( segid " " and resid 12 and name HD1%)
2.700 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.85876E-02 ppm1 0.918 ppm2 0.553 CV 1
ASSI { 513}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HG12))
2.000 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.90270E-02 ppm1 1.346 ppm2 0.951 CV 1
ASSI { 514}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.398 ppm2 0.555 CV 1
ASSI { 515}
(( segid " " and resid 12 and name HG13))
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.348 ppm2 0.555 CV 1
ASSI { 516}
(( segid " " and resid 12 and name HG13))
( segid " " and resid 12 and name HG2%)
6.000 5.000 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.348 ppm2 0.913 CV 1
ASSI { 517}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HD1%)
3.000 1.700 1.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.56275E-02 ppm1 4.240 ppm2 0.555 CV 1
ASSI { 518}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HG2%)
6.000 5.000 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.240 ppm2 0.915 CV 1
ASSI { 519}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG12))
6.000 5.000 0.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.241 ppm2 0.951 CV 1
ASSI { 520}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG13))
3.400 2.000 2.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 4.240 ppm2 1.343 CV 1
ASSI { 521}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB ))
2.300 1.200 1.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.13218E-01 ppm1 4.238 ppm2 1.400 CV 1
ASSI { 522}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
3.200 1.800 1.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.18905E-02 ppm1 4.347 ppm2 8.605 CV 1
ASSI { 523}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
2.400 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.13527E-01 ppm1 4.240 ppm2 8.603 CV 1
ASSI { 524}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 13 and name HN ))
3.800 2.300 2.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.47628E-03 ppm1 1.402 ppm2 8.603 CV 1
ASSI { 525}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HN ))
3.000 1.600 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.46602E-02 ppm1 0.918 ppm2 8.602 CV 1
ASSI { 526}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 13 and name HN ))
5.400 4.200 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.21103E-03 ppm1 0.554 ppm2 8.603 CV 1
ASSI { 527}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
3.100 1.700 1.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 7.462 ppm2 8.603 CV 1
ASSI { 528}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.500 2.000 2.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 2.665 ppm2 8.605 CV 1
OR { 528}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
ASSI { 529}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.500 1.300 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11064E-01 ppm1 4.350 ppm2 2.658 CV 1
OR { 529}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 530}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.700 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.83675E-02 ppm1 4.347 ppm2 8.540 CV 1
ASSI { 531}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.700 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.54223E-02 ppm1 2.663 ppm2 8.542 CV 1
OR { 531}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
ASSI { 532}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.700 1.400 1.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.81331E-02 ppm1 4.399 ppm2 2.764 CV 1
ASSI { 533}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
2.600 1.400 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.72393E-02 ppm1 4.399 ppm2 2.904 CV 1
ASSI { 534}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.000 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 4.399 ppm2 8.010 CV 1
ASSI { 535}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.700 3.200 1.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.37956E-03 ppm1 2.906 ppm2 8.008 CV 1
ASSI { 536}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
5.100 3.800 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.19637E-03 ppm1 2.778 ppm2 8.011 CV 1
ASSI { 537}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
2.500 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.53343E-02 ppm1 8.542 ppm2 8.007 CV 1
ASSI { 538}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HB2 ))
6.000 5.000 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.905 ppm2 2.774 CV 1
ASSI { 539}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.000 1.700 1.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.71224E-02 ppm1 3.140 ppm2 8.007 CV 1
ASSI { 540}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.700 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.32680E-02 ppm1 2.462 ppm2 8.009 CV 1
ASSI { 541}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
1.700 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.32826E-01 ppm1 3.139 ppm2 2.459 CV 1
ASSI { 542}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.600 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.96865E-02 ppm1 4.575 ppm2 2.456 CV 1
ASSI { 543}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
2.800 1.500 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.34585E-02 ppm1 4.580 ppm2 3.140 CV 1
ASSI { 544}
( segid " " and resid 15 and name HE% )
( segid " " and resid 15 and name HD% )
2.000 1.000 1.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.27551E-01 ppm1 6.747 ppm2 6.978 CV 1
ASSI { 545}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HD% )
2.900 1.600 1.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.31654E-02 ppm1 4.578 ppm2 6.977 CV 1
ASSI { 546}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HE% )
5.300 4.000 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.28137E-03 ppm1 4.577 ppm2 6.744 CV 1
ASSI { 547}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 15 and name HD% )
2.500 1.300 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.79281E-02 ppm1 3.140 ppm2 6.977 CV 1
ASSI { 548}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 15 and name HD% )
2.400 1.200 1.200 peak 548 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 2.462 ppm2 6.977 CV 1
ASSI { 549}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 15 and name HE% )
4.600 3.200 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.81331E-03 ppm1 2.462 ppm2 6.745 CV 1
ASSI { 550}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 15 and name HE% )
5.400 4.200 0.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.30042E-03 ppm1 3.140 ppm2 6.744 CV 1
ASSI { 551}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.700 2.200 2.200 peak 551 spectrum 1 weight 0.10000E+01 volume 0.63162E-03 ppm1 3.142 ppm2 8.696 CV 1
ASSI { 552}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
4.100 2.600 1.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 2.458 ppm2 8.693 CV 1
ASSI { 553}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.400 1.200 1.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.83532E-02 ppm1 4.578 ppm2 8.694 CV 1
ASSI { 554}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
6.000 5.300 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10332E-03 ppm1 8.689 ppm2 8.006 CV 1
ASSI { 555}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD% )
2.700 1.400 1.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.48800E-02 ppm1 4.713 ppm2 6.801 CV 1
ASSI { 556}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HN ))
3.000 1.600 1.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.30482E-02 ppm1 4.638 ppm2 8.721 CV 1
ASSI { 557}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HD21))
4.600 3.100 1.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.29016E-03 ppm1 4.638 ppm2 7.651 CV 1
ASSI { 558}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HD22))
5.000 3.600 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.32826E-03 ppm1 4.639 ppm2 6.885 CV 1
ASSI { 559}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HD21))
3.600 2.100 2.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.58326E-03 ppm1 2.811 ppm2 7.652 CV 1
ASSI { 560}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HD21))
4.000 2.500 2.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.83238E-03 ppm1 2.729 ppm2 7.651 CV 1
ASSI { 561}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HD22))
5.200 3.900 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.40447E-03 ppm1 2.728 ppm2 6.884 CV 1
ASSI { 562}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HD22))
5.400 4.100 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.31215E-03 ppm1 2.811 ppm2 6.885 CV 1
ASSI { 563}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HD21))
1.600 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.46455E-01 ppm1 6.887 ppm2 7.651 CV 1
ASSI { 564}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
2.300 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.15827E-01 ppm1 4.638 ppm2 8.804 CV 1
ASSI { 565}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 63 and name HN ))
4.200 2.700 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.30189E-03 ppm1 2.811 ppm2 8.802 CV 1
ASSI { 566}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 63 and name HN ))
4.500 3.100 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.57887E-03 ppm1 2.729 ppm2 8.802 CV 1
ASSI { 567}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.811 ppm2 2.730 CV 1
ASSI { 568}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
3.000 1.600 1.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.30629E-02 ppm1 4.638 ppm2 2.729 CV 1
ASSI { 569}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB3 ))
3.100 1.700 1.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.26965E-02 ppm1 4.640 ppm2 2.810 CV 1
ASSI { 570}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.389 ppm2 8.804 CV 1
ASSI { 571}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 63 and name HB% )
2.300 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.13131E-01 ppm1 3.786 ppm2 1.389 CV 1
ASSI { 572}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.786 ppm2 8.804 CV 1
ASSI { 573}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 64 and name HN ))
3.300 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 1.389 ppm2 8.409 CV 1
ASSI { 574}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
3.700 2.200 2.200 peak 574 spectrum 1 weight 0.10000E+01 volume 0.81482E-03 ppm1 3.786 ppm2 8.409 CV 1
ASSI { 576}
(( segid " " and resid 56 and name HD22))
(( segid " " and resid 56 and name HD21))
1.800 0.900 0.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.30629E-01 ppm1 6.932 ppm2 7.563 CV 1
ASSI { 577}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 58 and name HD% )
3.100 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.40008E-02 ppm1 4.959 ppm2 7.102 CV 1
ASSI { 578}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB2 ))
2.300 1.200 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.13306E-01 ppm1 4.958 ppm2 2.975 CV 1
OR { 578}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB3 ))
ASSI { 579}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 58 and name HE% )
5.300 4.000 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.30629E-03 ppm1 4.959 ppm2 7.199 CV 1
ASSI { 580}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 58 and name HD% )
2.300 1.200 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.11929E-01 ppm1 2.976 ppm2 7.102 CV 1
OR { 580}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 58 and name HD% )
ASSI { 581}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 58 and name HE% )
3.800 2.300 2.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 2.975 ppm2 7.202 CV 1
OR { 581}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 58 and name HE% )
ASSI { 582}
( segid " " and resid 58 and name HE% )
( segid " " and resid 58 and name HD% )
6.000 5.000 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.200 ppm2 7.104 CV 1
ASSI { 583}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
2.300 1.100 1.100 peak 583 spectrum 1 weight 0.10000E+01 volume 0.15387E-01 ppm1 4.959 ppm2 8.950 CV 1
ASSI { 584}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 59 and name HN ))
3.300 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 2.976 ppm2 8.950 CV 1
OR { 584}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 586}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
2.900 1.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.42646E-02 ppm1 4.404 ppm2 7.913 CV 1
ASSI { 587}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 58 and name HN ))
3.100 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.30922E-02 ppm1 3.924 ppm2 7.913 CV 1
OR { 587}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 58 and name HN ))
ASSI { 588}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB2 ))
2.800 1.500 1.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.51145E-02 ppm1 4.402 ppm2 3.924 CV 1
OR { 588}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB3 ))
ASSI { 589}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HN ))
2.900 1.600 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.34732E-02 ppm1 7.915 ppm2 8.375 CV 1
ASSI { 590}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HN ))
2.700 1.400 1.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.60525E-02 ppm1 4.830 ppm2 8.375 CV 1
ASSI { 591}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HD21))
6.000 5.000 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.830 ppm2 7.563 CV 1
ASSI { 592}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HD22))
5.900 4.900 0.100 peak 592 spectrum 1 weight 0.10000E+01 volume 0.12501E-03 ppm1 4.828 ppm2 6.932 CV 1
ASSI { 593}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HD21))
3.500 2.000 2.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.99503E-03 ppm1 2.788 ppm2 7.562 CV 1
ASSI { 594}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HD21))
3.800 2.300 2.200 peak 594 spectrum 1 weight 0.10000E+01 volume 0.60817E-03 ppm1 2.884 ppm2 7.564 CV 1
ASSI { 595}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HD22))
5.200 3.900 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.35464E-03 ppm1 2.789 ppm2 6.929 CV 1
ASSI { 596}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
3.100 1.700 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.25646E-02 ppm1 4.483 ppm2 1.277 CV 1
ASSI { 597}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
3.100 1.700 1.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.23301E-02 ppm1 4.482 ppm2 1.319 CV 1
ASSI { 598}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG ))
2.900 1.500 1.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.37663E-02 ppm1 4.483 ppm2 1.539 CV 1
ASSI { 599}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HN ))
6.000 5.000 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.011 ppm2 8.211 CV 1
ASSI { 600}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HG2%)
2.500 1.300 1.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.85288E-02 ppm1 4.474 ppm2 1.200 CV 1
ASSI { 601}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 3 and name HG2%)
2.500 1.300 1.300 peak 601 spectrum 1 weight 0.10000E+01 volume 0.84557E-02 ppm1 4.015 ppm2 1.201 CV 1
ASSI { 602}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB ))
3.800 2.300 2.200 peak 602 spectrum 1 weight 0.10000E+01 volume 0.76206E-03 ppm1 4.472 ppm2 4.010 CV 1
ASSI { 603}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
3.000 1.600 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 3.899 ppm2 8.686 CV 1
ASSI { 604}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HN ))
2.900 1.600 1.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.51145E-02 ppm1 2.019 ppm2 8.686 CV 1
ASSI { 605}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.642 ppm2 8.686 CV 1
ASSI { 606}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 2 and name HN ))
3.500 2.000 2.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.14318E-02 ppm1 1.300 ppm2 8.686 CV 1
ASSI { 607}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 3 and name HN ))
3.100 1.700 1.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.29016E-02 ppm1 1.301 ppm2 8.211 CV 1
ASSI { 608}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.300 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.12310E-01 ppm1 4.642 ppm2 8.212 CV 1
ASSI { 609}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
4.800 3.300 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.36637E-03 ppm1 8.211 ppm2 8.687 CV 1
ASSI { 610}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HB% )
2.600 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.75181E-02 ppm1 4.642 ppm2 1.301 CV 1
ASSI { 611}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HN ))
4.400 2.900 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.36637E-03 ppm1 8.207 ppm2 8.716 CV 1
ASSI { 612}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
2.300 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.13732E-01 ppm1 4.475 ppm2 8.716 CV 1
ASSI { 613}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 4 and name HN ))
2.300 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.13834E-01 ppm1 4.012 ppm2 8.715 CV 1
ASSI { 614}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 4 and name HN ))
3.900 2.400 2.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 1.199 ppm2 8.718 CV 1
ASSI { 615}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HN ))
3.100 1.700 1.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 4.165 ppm2 8.687 CV 1
ASSI { 616}
(( segid " " and resid 1 and name HB3 ))
(( segid " " and resid 2 and name HN ))
2.400 1.200 1.200 peak 616 spectrum 1 weight 0.10000E+01 volume 0.13834E-01 ppm1 4.026 ppm2 8.686 CV 1
ASSI { 617}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.972 ppm2 8.686 CV 1
ASSI { 618}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HB2 ))
6.000 5.000 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.167 ppm2 3.972 CV 1
ASSI { 619}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HB3 ))
6.000 5.000 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.167 ppm2 4.026 CV 1
ASSI { 620}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 6 and name HN ))
2.500 1.300 1.300 peak 620 spectrum 1 weight 0.10000E+01 volume 0.82213E-02 ppm1 4.004 ppm2 8.876 CV 1
ASSI { 621}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HD2 ))
1.700 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.32826E-01 ppm1 3.746 ppm2 3.545 CV 1
ASSI { 622}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB3 ))
4.000 2.500 2.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 3.744 ppm2 2.355 CV 1
ASSI { 623}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HB3 ))
3.700 2.200 2.200 peak 623 spectrum 1 weight 0.10000E+01 volume 0.31801E-02 ppm1 3.545 ppm2 2.354 CV 1
ASSI { 624}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB2 ))
3.100 1.700 1.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 3.743 ppm2 2.044 CV 1
ASSI { 625}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HB2 ))
6.000 5.000 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.547 ppm2 2.042 CV 1
ASSI { 626}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG3 ))
6.000 5.000 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.545 ppm2 2.041 CV 1
OR { 626}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG2 ))
ASSI { 627}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG2 ))
2.400 1.200 1.200 peak 627 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 3.743 ppm2 2.041 CV 1
OR { 627}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG3 ))
ASSI { 628}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HB2 ))
6.000 5.000 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.353 ppm2 2.040 CV 1
ASSI { 629}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 8 and name HN ))
3.600 2.100 2.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.22422E-02 ppm1 3.746 ppm2 8.611 CV 1
ASSI { 630}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HN ))
3.900 2.400 2.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.56714E-03 ppm1 3.545 ppm2 8.611 CV 1
ASSI { 631}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
2.100 1.100 1.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.14801E-01 ppm1 4.338 ppm2 2.354 CV 1
ASSI { 632}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD2 ))
6.000 5.000 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.339 ppm2 3.545 CV 1
ASSI { 633}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD3 ))
6.000 5.000 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.339 ppm2 3.744 CV 1
ASSI { 634}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
3.300 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.18905E-02 ppm1 4.339 ppm2 8.613 CV 1
ASSI { 635}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
5.100 3.700 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.28137E-03 ppm1 2.354 ppm2 8.613 CV 1
ASSI { 636}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
3.700 2.200 2.200 peak 636 spectrum 1 weight 0.10000E+01 volume 0.70636E-03 ppm1 2.042 ppm2 8.612 CV 1
ASSI { 637}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 7 and name HD3 ))
6.000 5.000 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.006 ppm2 3.746 CV 1
ASSI { 638}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 7 and name HD2 ))
3.200 1.800 1.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.55542E-02 ppm1 4.007 ppm2 3.547 CV 1
ASSI { 639}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.200 1.100 1.100 peak 639 spectrum 1 weight 0.10000E+01 volume 0.17586E-01 ppm1 3.899 ppm2 8.875 CV 1
ASSI { 640}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HN ))
5.400 4.200 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.18172E-03 ppm1 8.874 ppm2 8.686 CV 1
ASSI { 641}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 5 and name HN ))
2.900 1.600 1.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.31801E-02 ppm1 1.448 ppm2 8.687 CV 1
ASSI { 642}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HN ))
3.800 2.300 2.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 0.705 ppm2 8.687 CV 1
ASSI { 643}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HN ))
3.700 2.200 2.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.69611E-03 ppm1 1.075 ppm2 8.685 CV 1
ASSI { 644}
(( segid " " and resid 5 and name HG12))
( segid " " and resid 5 and name HD1%)
2.800 1.500 1.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.34439E-02 ppm1 1.075 ppm2 0.710 CV 1
ASSI { 645}
(( segid " " and resid 5 and name HG13))
( segid " " and resid 5 and name HD1%)
6.000 5.000 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 0.706 CV 1
ASSI { 646}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HD1%)
2.400 1.200 1.200 peak 646 spectrum 1 weight 0.10000E+01 volume 0.93646E-02 ppm1 2.017 ppm2 0.706 CV 1
ASSI { 647}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HN ))
3.300 1.900 1.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.36198E-02 ppm1 0.705 ppm2 8.874 CV 1
ASSI { 648}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 6 and name HN ))
6.000 5.100 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.18025E-03 ppm1 1.074 ppm2 8.875 CV 1
ASSI { 649}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 6 and name HN ))
5.400 4.200 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.13482E-03 ppm1 1.449 ppm2 8.875 CV 1
ASSI { 650}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 6 and name HN ))
3.800 2.300 2.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.39275E-03 ppm1 2.020 ppm2 8.875 CV 1
ASSI { 651}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.400 1.200 1.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.96284E-02 ppm1 4.698 ppm2 8.686 CV 1
ASSI { 652}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 56 and name HN ))
2.800 1.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.47774E-02 ppm1 3.907 ppm2 8.169 CV 1
ASSI { 653}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 56 and name HN ))
6.000 5.000 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.087 ppm2 8.168 CV 1
ASSI { 654}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HN ))
3.400 1.900 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.23447E-02 ppm1 8.496 ppm2 8.167 CV 1
ASSI { 655}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HN ))
3.900 2.400 2.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.11885E-02 ppm1 2.884 ppm2 8.167 CV 1
ASSI { 656}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
6.000 5.000 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.789 ppm2 8.168 CV 1
ASSI { 657}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 57 and name HN ))
4.200 2.700 1.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.58912E-03 ppm1 2.789 ppm2 8.376 CV 1
ASSI { 658}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 57 and name HN ))
3.100 1.700 1.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 2.884 ppm2 8.376 CV 1
ASSI { 659}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HN ))
6.000 5.000 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.169 ppm2 8.376 CV 1
ASSI { 660}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HN ))
2.700 1.400 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.63455E-02 ppm1 1.769 ppm2 8.172 CV 1
ASSI { 661}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 60 and name HG2%)
2.100 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.21835E-01 ppm1 1.766 ppm2 0.770 CV 1
ASSI { 662}
(( segid " " and resid 60 and name HG13))
(( segid " " and resid 60 and name HN ))
3.400 1.900 1.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.16413E-02 ppm1 1.505 ppm2 8.173 CV 1
ASSI { 663}
(( segid " " and resid 60 and name HG12))
(( segid " " and resid 60 and name HN ))
3.800 2.300 2.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.86901E-03 ppm1 1.185 ppm2 8.172 CV 1
ASSI { 664}
(( segid " " and resid 60 and name HG13))
(( segid " " and resid 60 and name HG12))
1.800 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.17586E-01 ppm1 1.505 ppm2 1.182 CV 1
ASSI { 665}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HG13))
2.500 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.68436E-02 ppm1 1.769 ppm2 1.509 CV 1
ASSI { 666}
(( segid " " and resid 60 and name HG12))
( segid " " and resid 60 and name HG2%)
2.700 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.51878E-02 ppm1 1.185 ppm2 0.771 CV 1
ASSI { 667}
(( segid " " and resid 60 and name HG13))
( segid " " and resid 60 and name HG2%)
6.000 5.000 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.505 ppm2 0.770 CV 1
ASSI { 668}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HN ))
2.900 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 4.480 ppm2 8.172 CV 1
ASSI { 669}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HB ))
3.800 2.300 2.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14127E-02 ppm1 4.475 ppm2 1.766 CV 1
ASSI { 670}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HN ))
3.100 1.700 1.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 3.921 ppm2 8.716 CV 1
ASSI { 671}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.698 ppm2 8.716 CV 1
ASSI { 672}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB ))
6.000 5.000 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.696 ppm2 3.919 CV 1
ASSI { 673}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 4 and name HG2%)
2.500 1.300 1.300 peak 673 spectrum 1 weight 0.10000E+01 volume 0.81188E-02 ppm1 4.698 ppm2 1.022 CV 1
ASSI { 674}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 4 and name HG2%)
2.300 1.200 1.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.12456E-01 ppm1 3.923 ppm2 1.022 CV 1
ASSI { 675}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HN ))
4.400 2.900 1.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.60378E-03 ppm1 1.024 ppm2 8.719 CV 1
ASSI { 676}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.200 1.700 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.27844E-02 ppm1 1.756 ppm2 8.956 CV 1
ASSI { 677}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 29 and name HN ))
3.300 1.900 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 1.543 ppm2 8.955 CV 1
ASSI { 678}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 29 and name HN ))
6.000 5.000 0.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.744 ppm2 8.956 CV 1
ASSI { 679}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.600 1.400 1.400 peak 679 spectrum 1 weight 0.10000E+01 volume 0.65214E-02 ppm1 4.737 ppm2 8.956 CV 1
ASSI { 680}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
4.600 3.100 1.400 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20370E-03 ppm1 4.728 ppm2 1.747 CV 1
ASSI { 681}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG ))
4.200 2.800 1.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.40740E-03 ppm1 4.734 ppm2 1.548 CV 1
ASSI { 682}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
2.600 1.400 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.61697E-02 ppm1 4.734 ppm2 1.183 CV 1
ASSI { 683}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 29 and name HD1%)
6.000 5.000 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.181 ppm2 0.737 CV 1
ASSI { 684}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD1%)
3.000 1.600 1.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.58326E-02 ppm1 4.732 ppm2 0.735 CV 1
ASSI { 685}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD2%)
4.000 2.500 2.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 4.734 ppm2 0.772 CV 1
ASSI { 686}
(( segid " " and resid 29 and name HB3 ))
( segid " " and resid 29 and name HD1%)
4.400 2.900 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.61257E-03 ppm1 1.752 ppm2 0.736 CV 1
ASSI { 687}
(( segid " " and resid 29 and name HG ))
( segid " " and resid 29 and name HD1%)
2.600 1.300 1.300 peak 687 spectrum 1 weight 0.10000E+01 volume 0.57300E-02 ppm1 1.542 ppm2 0.739 CV 1
ASSI { 688}
(( segid " " and resid 29 and name HG ))
( segid " " and resid 29 and name HD2%)
2.600 1.300 1.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.57300E-02 ppm1 1.541 ppm2 0.772 CV 1
ASSI { 689}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 29 and name HN ))
6.000 5.000 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 8.955 CV 1
ASSI { 690}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.955 ppm2 8.175 CV 1
ASSI { 691}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.400 1.200 1.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.91446E-02 ppm1 4.843 ppm2 1.804 CV 1
ASSI { 692}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.600 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 4.842 ppm2 1.693 CV 1
ASSI { 693}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
6.000 5.000 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.843 ppm2 1.425 CV 1
OR { 693}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 694}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG2 ))
2.700 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.41913E-02 ppm1 1.803 ppm2 1.426 CV 1
OR { 694}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 695}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG3 ))
2.400 1.200 1.200 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10259E-01 ppm1 1.690 ppm2 1.428 CV 1
OR { 695}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 696}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HB2 ))
1.600 0.800 0.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.30775E-01 ppm1 1.804 ppm2 1.695 CV 1
ASSI { 697}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HB2 ))
6.000 5.000 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.709 ppm2 1.691 CV 1
ASSI { 698}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HB2 ))
6.000 5.000 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.617 ppm2 1.692 CV 1
ASSI { 699}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HB3 ))
2.700 1.400 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.70342E-02 ppm1 3.709 ppm2 1.806 CV 1
ASSI { 700}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HB3 ))
2.900 1.600 1.600 peak 700 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 3.613 ppm2 1.804 CV 1
ASSI { 701}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
6.000 5.000 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.806 ppm2 8.693 CV 1
ASSI { 702}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.900 1.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.26232E-02 ppm1 1.690 ppm2 8.693 CV 1
ASSI { 703}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HN ))
3.300 1.800 1.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.31801E-02 ppm1 1.428 ppm2 8.694 CV 1
OR { 703}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HN ))
ASSI { 704}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB3 ))
6.000 5.000 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.540 ppm2 1.320 CV 1
ASSI { 705}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB2 ))
6.000 5.000 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.539 ppm2 1.274 CV 1
ASSI { 706}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HB2 ))
1.700 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.32534E-01 ppm1 2.617 ppm2 2.454 CV 1
ASSI { 707}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 20 and name HN ))
5.000 3.600 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.26672E-03 ppm1 0.902 ppm2 9.908 CV 1
ASSI { 708}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 20 and name HN ))
3.300 1.800 1.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.95696E-03 ppm1 1.248 ppm2 9.908 CV 1
OR { 708}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 709}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 20 and name HN ))
3.500 2.100 2.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.14127E-02 ppm1 1.408 ppm2 9.909 CV 1
ASSI { 711}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 18 and name HN ))
4.500 3.000 1.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.38102E-03 ppm1 0.688 ppm2 9.533 CV 1
OR { 711}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 18 and name HN ))
ASSI { 713}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 41 and name HN ))
4.800 3.300 1.200 peak 713 spectrum 1 weight 0.10000E+01 volume 0.24473E-03 ppm1 1.298 ppm2 9.466 CV 1
ASSI { 714}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 41 and name HN ))
3.500 2.000 2.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.49387E-03 ppm1 1.408 ppm2 9.466 CV 1
ASSI { 715}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
3.600 2.100 2.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.21103E-02 ppm1 1.679 ppm2 9.534 CV 1
ASSI { 717}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 18 and name HN ))
4.300 2.800 1.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.42352E-03 ppm1 1.748 ppm2 9.531 CV 1
OR { 717}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 718}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 47 and name HN ))
4.400 2.900 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.86026E-03 ppm1 2.466 ppm2 9.619 CV 1
ASSI { 719}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.500 2.000 2.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.13952E-02 ppm1 3.755 ppm2 9.908 CV 1
OR { 719}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 722}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 47 and name HN ))
4.200 2.700 1.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.66972E-03 ppm1 4.576 ppm2 9.616 CV 1
ASSI { 723}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 41 and name HN ))
5.100 3.800 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.16413E-03 ppm1 4.640 ppm2 9.460 CV 1
ASSI { 724}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 47 and name HN ))
4.200 2.700 1.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.50706E-03 ppm1 4.847 ppm2 9.616 CV 1
ASSI { 725}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 47 and name HN ))
3.400 2.000 2.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 5.260 ppm2 9.614 CV 1
ASSI { 726}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 18 and name HN ))
3.300 1.900 1.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.16413E-02 ppm1 5.566 ppm2 9.532 CV 1
ASSI { 727}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 47 and name HN ))
3.000 1.700 1.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.28137E-02 ppm1 6.596 ppm2 9.616 CV 1
ASSI { 728}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 47 and name HN ))
2.700 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.44697E-02 ppm1 6.800 ppm2 9.616 CV 1
ASSI { 729}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 47 and name HN ))
3.700 2.200 2.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.89983E-03 ppm1 6.979 ppm2 9.616 CV 1
ASSI { 730}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 20 and name HN ))
3.000 1.600 1.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.29016E-02 ppm1 8.472 ppm2 9.907 CV 1
ASSI { 731}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 47 and name HN ))
2.700 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.49826E-02 ppm1 8.697 ppm2 9.617 CV 1
ASSI { 732}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 18 and name HN ))
4.800 3.300 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.21543E-03 ppm1 8.101 ppm2 9.531 CV 1
ASSI { 737}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 67 and name HN ))
4.100 2.600 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.53343E-03 ppm1 9.090 ppm2 8.541 CV 1
ASSI { 738}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 19 and name HN ))
3.000 1.600 1.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.28137E-02 ppm1 8.396 ppm2 9.135 CV 1
ASSI { 740}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 31 and name HN ))
5.100 3.700 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.24473E-03 ppm1 2.975 ppm2 9.184 CV 1
OR { 740}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 741}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 40 and name HN ))
3.200 1.800 1.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 8.210 ppm2 9.055 CV 1
ASSI { 745}
( segid " " and resid 58 and name HD% )
(( segid " " and resid 59 and name HN ))
3.800 2.300 2.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.69905E-03 ppm1 7.103 ppm2 8.950 CV 1
ASSI { 746}
( segid " " and resid 58 and name HD% )
(( segid " " and resid 31 and name HN ))
4.400 2.900 1.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.31215E-03 ppm1 7.103 ppm2 9.184 CV 1
ASSI { 748}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 16 and name HN ))
4.600 3.100 1.400 peak 748 spectrum 1 weight 0.10000E+01 volume 0.47189E-03 ppm1 6.977 ppm2 8.691 CV 1
ASSI { 751}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 16 and name HN ))
4.500 3.000 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.24327E-03 ppm1 6.794 ppm2 8.694 CV 1
ASSI { 753}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 33 and name HN ))
4.200 2.700 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.60671E-03 ppm1 6.593 ppm2 8.726 CV 1
ASSI { 755}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 67 and name HN ))
3.600 2.100 2.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.93202E-03 ppm1 6.747 ppm2 8.543 CV 1
ASSI { 756}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 40 and name HN ))
3.200 1.700 1.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.21103E-02 ppm1 4.696 ppm2 9.055 CV 1
ASSI { 757}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 40 and name HN ))
4.800 3.400 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.23888E-03 ppm1 4.473 ppm2 9.055 CV 1
ASSI { 759}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 40 and name HN ))
3.800 2.300 2.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.84557E-03 ppm1 4.013 ppm2 9.056 CV 1
ASSI { 765}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 40 and name HN ))
5.200 3.900 0.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.20956E-03 ppm1 2.312 ppm2 9.055 CV 1
ASSI { 766}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 40 and name HN ))
4.600 3.100 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.32973E-03 ppm1 2.230 ppm2 9.055 CV 1
ASSI { 767}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HN ))
2.600 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.72393E-02 ppm1 1.427 ppm2 8.956 CV 1
ASSI { 768}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 40 and name HN ))
3.900 2.400 2.100 peak 768 spectrum 1 weight 0.10000E+01 volume 0.83826E-03 ppm1 1.300 ppm2 9.054 CV 1
ASSI { 769}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 40 and name HN ))
4.500 3.000 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.53343E-03 ppm1 1.199 ppm2 9.055 CV 1
ASSI { 770}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.325 ppm2 9.185 CV 1
ASSI { 771}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 63 and name HN ))
3.500 2.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.49826E-03 ppm1 1.549 ppm2 8.803 CV 1
ASSI { 772}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 6 and name HN ))
3.400 1.900 1.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.62869E-03 ppm1 1.271 ppm2 8.877 CV 1
ASSI { 773}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 61 and name HN ))
3.100 1.700 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 0.971 ppm2 8.955 CV 1
ASSI { 774}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 40 and name HN ))
5.400 4.100 0.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.15534E-03 ppm1 1.025 ppm2 9.057 CV 1
ASSI { 775}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 40 and name HN ))
3.500 2.000 2.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.48361E-03 ppm1 0.904 ppm2 9.055 CV 1
ASSI { 777}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 31 and name HN ))
4.300 2.800 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.49680E-03 ppm1 0.840 ppm2 9.182 CV 1
ASSI { 778}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 62 and name HN ))
5.000 3.600 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.20956E-03 ppm1 0.601 ppm2 8.723 CV 1
ASSI { 779}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 62 and name HN ))
3.200 1.800 1.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 0.689 ppm2 8.721 CV 1
ASSI { 780}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HN ))
4.700 3.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.40301E-03 ppm1 0.835 ppm2 8.952 CV 1
ASSI { 781}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 62 and name HN ))
4.600 3.200 1.400 peak 781 spectrum 1 weight 0.10000E+01 volume 0.87632E-04 ppm1 -0.018 ppm2 8.723 CV 1
ASSI { 782}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 31 and name HN ))
5.100 3.700 0.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.14450E-03 ppm1 -0.018 ppm2 9.181 CV 1
ASSI { 786}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 15 and name HN ))
4.100 2.600 1.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.91740E-03 ppm1 0.917 ppm2 8.010 CV 1
ASSI { 787}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 34 and name HN ))
5.500 4.200 0.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.11826E-03 ppm1 0.682 ppm2 8.098 CV 1
ASSI { 788}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 38 and name HN ))
3.500 2.000 2.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 0.697 ppm2 8.245 CV 1
OR { 788}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 38 and name HN ))
ASSI { 789}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 38 and name HN ))
4.000 2.500 2.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.95546E-03 ppm1 0.928 ppm2 8.237 CV 1
OR { 789}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 38 and name HN ))
ASSI { 790}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 38 and name HN ))
4.300 2.900 1.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.38395E-03 ppm1 1.028 ppm2 8.236 CV 1
ASSI { 792}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 14 and name HN ))
3.700 2.200 2.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.16267E-02 ppm1 0.917 ppm2 8.541 CV 1
ASSI { 794}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 58 and name HN ))
4.100 2.600 1.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.17586E-03 ppm1 1.118 ppm2 7.915 CV 1
ASSI { 795}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 58 and name HN ))
4.800 3.400 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.70048E-04 ppm1 1.005 ppm2 7.913 CV 1
ASSI { 796}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 58 and name HN ))
4.400 2.900 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.11592E-03 ppm1 0.786 ppm2 7.916 CV 1
ASSI { 797}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 51 and name HN ))
4.000 2.500 2.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.21835E-03 ppm1 1.208 ppm2 8.131 CV 1
ASSI { 798}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 15 and name HN ))
3.900 2.400 2.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.62576E-03 ppm1 1.408 ppm2 8.010 CV 1
ASSI { 799}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 26 and name HN ))
4.900 3.400 1.100 peak 799 spectrum 1 weight 0.10000E+01 volume 0.66679E-04 ppm1 1.465 ppm2 7.874 CV 1
ASSI { 800}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 38 and name HN ))
5.900 4.900 0.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.13981E-03 ppm1 0.868 ppm2 8.234 CV 1
ASSI { 801}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.700 2.200 2.200 peak 801 spectrum 1 weight 0.10000E+01 volume 0.66386E-03 ppm1 1.671 ppm2 8.096 CV 1
ASSI { 802}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 38 and name HN ))
4.300 2.800 1.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.44990E-03 ppm1 1.900 ppm2 8.233 CV 1
ASSI { 803}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 38 and name HN ))
3.600 2.100 2.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.15387E-02 ppm1 2.017 ppm2 8.236 CV 1
ASSI { 805}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 26 and name HN ))
5.500 4.300 0.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.81331E-04 ppm1 2.066 ppm2 7.876 CV 1
ASSI { 806}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 50 and name HN ))
4.000 2.500 2.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.88220E-03 ppm1 2.456 ppm2 8.334 CV 1
ASSI { 807}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 15 and name HN ))
5.000 3.600 1.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.63455E-03 ppm1 2.664 ppm2 8.010 CV 1
OR { 807}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 808}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 58 and name HN ))
5.300 4.000 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.20956E-03 ppm1 2.783 ppm2 7.915 CV 1
ASSI { 809}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 3 and name HN ))
4.000 2.500 2.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.54223E-03 ppm1 2.626 ppm2 8.211 CV 1
ASSI { 810}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 65 and name HN ))
5.100 3.700 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.28430E-03 ppm1 2.734 ppm2 8.255 CV 1
ASSI { 811}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 58 and name HN ))
6.000 5.000 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.890 ppm2 7.914 CV 1
ASSI { 812}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.800 2.300 2.200 peak 812 spectrum 1 weight 0.10000E+01 volume 0.87783E-03 ppm1 3.113 ppm2 8.396 CV 1
ASSI { 813}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 48 and name HN ))
3.400 1.900 1.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.25646E-02 ppm1 3.277 ppm2 8.347 CV 1
ASSI { 815}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 5.800 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.13322E-03 ppm1 3.138 ppm2 8.544 CV 1
ASSI { 816}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 34 and name HN ))
2.500 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10654E-01 ppm1 2.820 ppm2 8.097 CV 1
ASSI { 817}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 38 and name HN ))
3.500 2.000 2.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.25939E-02 ppm1 3.436 ppm2 8.234 CV 1
ASSI { 818}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 65 and name HN ))
3.900 2.400 2.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 3.787 ppm2 8.256 CV 1
ASSI { 822}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HN ))
4.500 3.000 1.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.65507E-03 ppm1 4.275 ppm2 7.876 CV 1
ASSI { 823}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HN ))
3.000 1.600 1.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 4.196 ppm2 8.718 CV 1
ASSI { 824}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
2.400 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.11489E-01 ppm1 4.565 ppm2 8.329 CV 1
ASSI { 825}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 34 and name HN ))
2.400 1.200 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10112E-01 ppm1 4.707 ppm2 8.096 CV 1
ASSI { 826}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 43 and name HN ))
4.200 2.700 1.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.44258E-03 ppm1 5.441 ppm2 8.469 CV 1
ASSI { 827}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 16 and name HN ))
3.800 2.300 2.200 peak 827 spectrum 1 weight 0.10000E+01 volume 0.75324E-03 ppm1 5.566 ppm2 8.698 CV 1
ASSI { 828}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 67 and name HN ))
3.500 2.100 2.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 5.755 ppm2 8.541 CV 1
ASSI { 831}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 48 and name HN ))
3.600 2.100 2.100 peak 831 spectrum 1 weight 0.10000E+01 volume 0.89539E-03 ppm1 6.979 ppm2 8.350 CV 1
ASSI { 832}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 34 and name HN ))
4.000 2.500 2.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.89833E-03 ppm1 6.803 ppm2 8.099 CV 1
ASSI { 833}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 15 and name HN ))
3.600 2.100 2.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.42352E-03 ppm1 6.750 ppm2 8.011 CV 1
ASSI { 834}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name HN ))
2.600 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.53783E-02 ppm1 6.979 ppm2 8.011 CV 1
ASSI { 836}
(( segid " " and resid 65 and name HD21))
(( segid " " and resid 65 and name HN ))
3.700 2.200 2.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.72980E-03 ppm1 7.565 ppm2 8.259 CV 1
ASSI { 837}
(( segid " " and resid 65 and name HD21))
(( segid " " and resid 62 and name HN ))
4.400 2.900 1.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.42059E-03 ppm1 7.564 ppm2 8.720 CV 1
ASSI { 838}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HN ))
4.800 3.400 1.200 peak 838 spectrum 1 weight 0.10000E+01 volume 0.17146E-03 ppm1 8.003 ppm2 7.465 CV 1
ASSI { 840}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 65 and name HD21))
5.000 3.600 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12442E-03 ppm1 8.346 ppm2 7.565 CV 1
ASSI { 842}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 66 and name HN ))
4.900 3.400 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.34585E-03 ppm1 8.410 ppm2 7.710 CV 1
ASSI { 846}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
4.700 3.200 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.27258E-03 ppm1 8.952 ppm2 7.912 CV 1
ASSI { 847}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
4.400 2.900 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.38542E-03 ppm1 8.701 ppm2 7.807 CV 1
ASSI { 849}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HD21))
6.000 5.200 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.80600E-04 ppm1 8.720 ppm2 7.650 CV 1
ASSI { 850}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 9 and name HN ))
3.600 2.100 2.100 peak 850 spectrum 1 weight 0.10000E+01 volume 0.96428E-03 ppm1 8.874 ppm2 7.648 CV 1
ASSI { 853}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 34 and name HN ))
3.900 2.400 2.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.88951E-03 ppm1 9.135 ppm2 8.098 CV 1
ASSI { 854}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
2.700 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.51878E-02 ppm1 9.122 ppm2 8.233 CV 1
ASSI { 858}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 38 and name HN ))
4.800 3.300 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.18172E-03 ppm1 8.691 ppm2 8.233 CV 1
ASSI { 861}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 66 and name HN ))
5.100 3.700 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.31361E-03 ppm1 5.749 ppm2 7.713 CV 1
ASSI { 862}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
4.300 2.800 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.77962E-03 ppm1 4.960 ppm2 7.464 CV 1
ASSI { 863}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 58 and name HN ))
5.500 4.300 0.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.14142E-03 ppm1 4.830 ppm2 7.913 CV 1
ASSI { 864}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 65 and name HD21))
5.000 3.600 1.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.12134E-03 ppm1 4.562 ppm2 7.566 CV 1
ASSI { 865}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 9 and name HN ))
4.500 3.100 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.48361E-03 ppm1 4.329 ppm2 7.645 CV 1
ASSI { 866}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 66 and name HN ))
3.800 2.300 2.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.14420E-02 ppm1 4.267 ppm2 7.713 CV 1
ASSI { 868}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HN ))
3.600 2.100 2.100 peak 868 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 3.789 ppm2 7.714 CV 1
ASSI { 869}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HN ))
4.500 3.000 1.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.46309E-03 ppm1 3.138 ppm2 7.464 CV 1
ASSI { 870}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 12 and name HN ))
3.700 2.200 2.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.96428E-03 ppm1 3.074 ppm2 7.467 CV 1
ASSI { 871}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 35 and name HN ))
2.900 1.500 1.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.41033E-02 ppm1 2.818 ppm2 7.805 CV 1
ASSI { 872}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD21))
3.800 2.300 2.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.60817E-03 ppm1 2.923 ppm2 7.591 CV 1
ASSI { 874}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HN ))
4.900 3.500 1.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.13263E-03 ppm1 2.461 ppm2 7.465 CV 1
ASSI { 875}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 65 and name HD21))
5.300 4.000 0.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.89396E-04 ppm1 2.456 ppm2 7.562 CV 1
ASSI { 876}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 26 and name HN ))
4.000 2.600 2.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.61403E-03 ppm1 1.899 ppm2 7.874 CV 1
ASSI { 879}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 65 and name HD21))
6.000 6.000 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.45430E-04 ppm1 1.079 ppm2 7.562 CV 1
ASSI { 880}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 39 and name HE21))
4.200 2.700 1.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.43085E-03 ppm1 1.024 ppm2 7.401 CV 1
ASSI { 881}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 39 and name HE21))
4.700 3.300 1.300 peak 881 spectrum 1 weight 0.10000E+01 volume 0.19637E-03 ppm1 1.303 ppm2 7.402 CV 1
ASSI { 883}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 35 and name HN ))
3.500 2.000 2.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.17000E-02 ppm1 0.680 ppm2 7.805 CV 1
ASSI { 884}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 66 and name HN ))
4.400 2.900 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.30042E-03 ppm1 0.688 ppm2 7.713 CV 1
ASSI { 886}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 9 and name HN ))
4.500 3.000 1.500 peak 886 spectrum 1 weight 0.10000E+01 volume 0.29749E-03 ppm1 0.702 ppm2 7.648 CV 1
ASSI { 887}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 65 and name HD21))
4.000 2.500 2.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.59645E-03 ppm1 0.693 ppm2 7.563 CV 1
ASSI { 888}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 15 and name HE% )
4.100 2.600 1.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.68730E-03 ppm1 0.555 ppm2 6.747 CV 1
ASSI { 889}
( segid " " and resid 67 and name HG1%)
( segid " " and resid 15 and name HE% )
3.000 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.33120E-02 ppm1 0.670 ppm2 6.745 CV 1
ASSI { 890}
( segid " " and resid 67 and name HG2%)
( segid " " and resid 15 and name HE% )
3.300 1.800 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.17586E-02 ppm1 0.817 ppm2 6.747 CV 1
ASSI { 891}
( segid " " and resid 12 and name HG2%)
( segid " " and resid 15 and name HE% )
2.900 1.600 1.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.41473E-02 ppm1 0.918 ppm2 6.747 CV 1
ASSI { 893}
( segid " " and resid 33 and name HG1%)
( segid " " and resid 18 and name HD% )
3.300 1.900 1.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.29163E-02 ppm1 0.826 ppm2 6.804 CV 1
ASSI { 894}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 18 and name HD% )
3.600 2.100 2.100 peak 894 spectrum 1 weight 0.10000E+01 volume 0.15534E-02 ppm1 0.997 ppm2 6.801 CV 1
ASSI { 895}
( segid " " and resid 12 and name HG2%)
( segid " " and resid 15 and name HD% )
2.800 1.500 1.500 peak 895 spectrum 1 weight 0.10000E+01 volume 0.56421E-02 ppm1 0.915 ppm2 6.977 CV 1
ASSI { 896}
( segid " " and resid 67 and name HG2%)
( segid " " and resid 15 and name HD% )
3.400 1.900 1.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.61990E-03 ppm1 0.810 ppm2 6.978 CV 1
ASSI { 897}
( segid " " and resid 67 and name HG1%)
( segid " " and resid 15 and name HD% )
2.600 1.400 1.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.29016E-02 ppm1 0.670 ppm2 6.977 CV 1
ASSI { 898}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 15 and name HD% )
3.800 2.300 2.200 peak 898 spectrum 1 weight 0.10000E+01 volume 0.96722E-03 ppm1 0.554 ppm2 6.978 CV 1
ASSI { 899}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 65 and name HD22))
4.200 2.700 1.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.48215E-03 ppm1 0.691 ppm2 7.039 CV 1
ASSI { 901}
( segid " " and resid 60 and name HD1%)
( segid " " and resid 58 and name HE% )
2.600 1.300 1.300 peak 901 spectrum 1 weight 0.10000E+01 volume 0.28137E-02 ppm1 0.839 ppm2 7.200 CV 1
ASSI { 902}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 58 and name HE% )
3.300 1.800 1.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.75030E-03 ppm1 1.006 ppm2 7.199 CV 1
ASSI { 903}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 58 and name HD% )
2.800 1.400 1.400 peak 903 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 1.007 ppm2 7.102 CV 1
ASSI { 904}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 15 and name HE% )
2.800 1.500 1.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 1.081 ppm2 6.745 CV 1
ASSI { 905}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 15 and name HD% )
3.000 1.600 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 1.080 ppm2 6.979 CV 1
ASSI { 906}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 58 and name HD% )
2.500 1.300 1.300 peak 906 spectrum 1 weight 0.10000E+01 volume 0.34292E-02 ppm1 1.117 ppm2 7.102 CV 1
ASSI { 907}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 58 and name HE% )
3.200 1.800 1.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.77375E-03 ppm1 1.118 ppm2 7.199 CV 1
ASSI { 909}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 15 and name HD% )
2.500 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.55542E-02 ppm1 1.408 ppm2 6.977 CV 1
ASSI { 913}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 15 and name HE% )
3.200 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 1.437 ppm2 6.745 CV 1
OR { 913}
(( segid " " and resid 48 and name HG2 ))
( segid " " and resid 15 and name HE% )
OR { 913}
(( segid " " and resid 48 and name HG3 ))
( segid " " and resid 15 and name HE% )
ASSI { 914}
(( segid " " and resid 60 and name HG13))
( segid " " and resid 58 and name HE% )
3.300 1.800 1.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.69755E-03 ppm1 1.509 ppm2 7.197 CV 1
ASSI { 915}
(( segid " " and resid 60 and name HG13))
( segid " " and resid 58 and name HD% )
4.300 2.900 1.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.13043E-03 ppm1 1.511 ppm2 7.099 CV 1
ASSI { 917}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 18 and name HD% )
4.800 3.400 1.200 peak 917 spectrum 1 weight 0.10000E+01 volume 0.25792E-03 ppm1 1.912 ppm2 6.800 CV 1
ASSI { 919}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 58 and name HE% )
3.500 2.100 2.100 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 2.458 ppm2 7.200 CV 1
OR { 919}
(( segid " " and resid 21 and name HG3 ))
( segid " " and resid 58 and name HE% )
ASSI { 920}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 42 and name HN ))
4.600 3.100 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.42352E-03 ppm1 2.622 ppm2 7.212 CV 1
ASSI { 921}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 58 and name HD% )
4.300 2.800 1.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.35318E-03 ppm1 2.464 ppm2 7.105 CV 1
OR { 921}
(( segid " " and resid 21 and name HG3 ))
( segid " " and resid 58 and name HD% )
ASSI { 922}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 58 and name HD% )
6.000 5.000 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.18172E-04 ppm1 2.230 ppm2 7.102 CV 1
ASSI { 924}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 65 and name HD22))
5.600 4.500 0.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.88220E-04 ppm1 2.456 ppm2 7.039 CV 1
ASSI { 926}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 15 and name HE% )
4.900 3.500 1.100 peak 926 spectrum 1 weight 0.10000E+01 volume 0.16120E-03 ppm1 2.030 ppm2 6.745 CV 1
ASSI { 927}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 15 and name HE% )
4.900 3.500 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.21543E-03 ppm1 2.665 ppm2 6.745 CV 1
OR { 927}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 928}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 15 and name HD% )
4.100 2.600 1.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.75912E-03 ppm1 2.661 ppm2 6.976 CV 1
OR { 928}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 15 and name HD% )
ASSI { 929}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 15 and name HD% )
5.200 3.900 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.20077E-03 ppm1 2.616 ppm2 6.976 CV 1
ASSI { 930}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 15 and name HE% )
6.000 5.300 0.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.99216E-04 ppm1 2.615 ppm2 6.745 CV 1
ASSI { 931}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 65 and name HD22))
4.200 2.700 1.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.40008E-03 ppm1 2.731 ppm2 7.040 CV 1
ASSI { 932}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 65 and name HD22))
4.000 2.500 2.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.59352E-03 ppm1 2.813 ppm2 7.038 CV 1
ASSI { 933}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 15 and name HD% )
3.900 2.400 2.100 peak 933 spectrum 1 weight 0.10000E+01 volume 0.11269E-02 ppm1 2.798 ppm2 6.977 CV 1
ASSI { 934}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 18 and name HD% )
3.000 1.700 1.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.25792E-02 ppm1 2.887 ppm2 6.803 CV 1
ASSI { 935}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 18 and name HD% )
2.900 1.600 1.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.57740E-02 ppm1 3.047 ppm2 6.800 CV 1
ASSI { 939}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 18 and name HD% )
2.400 1.200 1.200 peak 939 spectrum 1 weight 0.10000E+01 volume 0.88220E-02 ppm1 3.473 ppm2 6.801 CV 1
ASSI { 940}
(( segid " " and resid 30 and name HA1 ))
( segid " " and resid 58 and name HD% )
4.100 2.600 1.900 peak 940 spectrum 1 weight 0.10000E+01 volume 0.51438E-03 ppm1 3.449 ppm2 7.104 CV 1
ASSI { 941}
(( segid " " and resid 30 and name HA1 ))
( segid " " and resid 58 and name HE% )
2.900 1.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.44990E-02 ppm1 3.446 ppm2 7.199 CV 1
ASSI { 942}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 58 and name HD% )
4.300 2.800 1.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.36637E-03 ppm1 3.934 ppm2 7.104 CV 1
OR { 942}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 58 and name HD% )
ASSI { 943}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 15 and name HE% )
4.500 3.000 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.40594E-03 ppm1 4.173 ppm2 6.747 CV 1
ASSI { 944}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 15 and name HE% )
4.200 2.700 1.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.42939E-03 ppm1 4.113 ppm2 6.747 CV 1
ASSI { 945}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 15 and name HD% )
3.500 2.100 2.100 peak 945 spectrum 1 weight 0.10000E+01 volume 0.11211E-02 ppm1 4.172 ppm2 6.976 CV 1
ASSI { 946}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 15 and name HD% )
5.000 3.600 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.33413E-03 ppm1 4.388 ppm2 6.978 CV 1
ASSI { 947}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 58 and name HD% )
3.900 2.400 2.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.63602E-03 ppm1 4.486 ppm2 7.102 CV 1
ASSI { 948}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 58 and name HD% )
4.000 2.500 2.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.53783E-03 ppm1 4.614 ppm2 7.102 CV 1
ASSI { 949}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 65 and name HD22))
5.300 3.900 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.16560E-03 ppm1 4.568 ppm2 7.042 CV 1
ASSI { 950}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 42 and name HN ))
3.900 2.400 2.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.13380E-02 ppm1 5.078 ppm2 7.207 CV 1
ASSI { 951}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 18 and name HD% )
4.100 2.600 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.60378E-03 ppm1 4.944 ppm2 6.801 CV 1
ASSI { 952}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 15 and name HE% )
4.600 3.100 1.400 peak 952 spectrum 1 weight 0.10000E+01 volume 0.28430E-03 ppm1 4.921 ppm2 6.747 CV 1
ASSI { 953}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 18 and name HD% )
3.700 2.200 2.200 peak 953 spectrum 1 weight 0.10000E+01 volume 0.13820E-02 ppm1 5.259 ppm2 6.801 CV 1
ASSI { 954}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 15 and name HE% )
3.600 2.100 2.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.12574E-02 ppm1 5.755 ppm2 6.742 CV 1
ASSI { 955}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 15 and name HE% )
3.200 1.800 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 5.675 ppm2 6.744 CV 1
ASSI { 956}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 18 and name HD% )
3.500 2.100 2.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 5.563 ppm2 6.800 CV 1
ASSI { 957}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 15 and name HD% )
3.700 2.200 2.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 5.674 ppm2 6.977 CV 1
ASSI { 958}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 15 and name HD% )
2.700 1.400 1.400 peak 958 spectrum 1 weight 0.10000E+01 volume 0.40594E-02 ppm1 5.753 ppm2 6.977 CV 1
ASSI { 959}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 15 and name HD% )
5.100 3.800 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.20077E-03 ppm1 5.562 ppm2 6.977 CV 1
ASSI { 960}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 18 and name HD% )
4.700 3.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.27258E-03 ppm1 5.684 ppm2 6.803 CV 1
ASSI { 961}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
3.600 2.100 2.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.11314E-02 ppm1 8.472 ppm2 7.210 CV 1
ASSI { 962}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 58 and name HE% )
4.900 3.500 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.23447E-03 ppm1 8.740 ppm2 7.197 CV 1
ASSI { 965}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 65 and name HD22))
4.300 2.800 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.30922E-03 ppm1 8.719 ppm2 7.042 CV 1
ASSI { 967}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 15 and name HD% )
3.400 1.900 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.19198E-02 ppm1 8.543 ppm2 6.980 CV 1
ASSI { 969}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HD22))
5.500 4.300 0.500 peak 969 spectrum 1 weight 0.10000E+01 volume 0.12163E-03 ppm1 8.258 ppm2 7.042 CV 1
ASSI { 970}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 65 and name HD22))
5.600 4.400 0.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.12208E-03 ppm1 8.327 ppm2 7.043 CV 1
ASSI { 971}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HD22))
6.000 5.300 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.86901E-04 ppm1 8.323 ppm2 6.919 CV 1
ASSI { 973}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 18 and name HD% )
3.900 2.400 2.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.64335E-03 ppm1 8.396 ppm2 6.801 CV 1
ASSI { 974}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 15 and name HE% )
3.500 2.000 2.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 8.347 ppm2 6.747 CV 1
ASSI { 976}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 18 and name HD% )
3.400 2.000 2.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.12031E-02 ppm1 8.719 ppm2 6.801 CV 1
ASSI { 977}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HD22))
4.600 3.100 1.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.37956E-03 ppm1 8.161 ppm2 6.927 CV 1
ASSI { 981}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HD% )
3.700 2.200 2.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.95259E-03 ppm1 7.911 ppm2 7.101 CV 1
ASSI { 983}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 58 and name HE% )
4.300 2.800 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.45870E-03 ppm1 9.184 ppm2 7.200 CV 1
ASSI { 989}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HD% )
3.600 2.100 2.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 9.133 ppm2 6.803 CV 1
ASSI { 990}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 65 and name HD22))
5.600 4.400 0.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.11431E-03 ppm1 1.383 ppm2 7.042 CV 1
ASSI { 991}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 18 and name HD% )
2.900 1.600 1.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.29896E-02 ppm1 -0.018 ppm2 6.800 CV 1
ASSI { 992}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 18 and name HE% )
2.900 1.600 1.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 -0.017 ppm2 6.594 CV 1
ASSI { 993}
( segid " " and resid 61 and name HG2%)
( segid " " and resid 18 and name HE% )
5.000 3.600 1.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.20517E-03 ppm1 0.688 ppm2 6.592 CV 1
ASSI { 996}
( segid " " and resid 51 and name HG1%)
( segid " " and resid 18 and name HE% )
3.500 2.000 2.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.49240E-03 ppm1 0.925 ppm2 6.595 CV 1
OR { 996}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 18 and name HE% )
ASSI { 998}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 18 and name HE% )
2.600 1.300 1.300 peak 998 spectrum 1 weight 0.10000E+01 volume 0.57740E-02 ppm1 1.697 ppm2 6.594 CV 1
ASSI { 999}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 18 and name HE% )
3.300 1.800 1.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.19637E-02 ppm1 1.808 ppm2 6.597 CV 1
ASSI { 1000}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 18 and name HE% )
3.800 2.300 2.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.30042E-03 ppm1 1.915 ppm2 6.594 CV 1
ASSI { 1002}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 18 and name HE% )
4.900 3.500 1.100 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.19051E-03 ppm1 2.896 ppm2 6.595 CV 1
ASSI { 1003}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 18 and name HE% )
3.000 1.600 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.41620E-02 ppm1 3.050 ppm2 6.594 CV 1
ASSI { 1004}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 18 and name HE% )
3.200 1.800 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.24766E-02 ppm1 3.472 ppm2 6.594 CV 1
ASSI { 1005}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 18 and name HE% )
6.000 5.000 0.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.174 ppm2 6.594 CV 1
ASSI { 1007}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 18 and name HE% )
4.600 3.200 1.400 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.34292E-03 ppm1 4.945 ppm2 6.591 CV 1
ASSI { 1008}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 18 and name HE% )
4.500 3.000 1.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.36051E-03 ppm1 4.827 ppm2 6.594 CV 1
ASSI { 1009}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 18 and name HD% )
6.000 6.000 0.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.21543E-04 ppm1 4.827 ppm2 6.800 CV 1
ASSI { 1010}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 18 and name HE% )
5.400 4.200 0.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.15681E-03 ppm1 5.255 ppm2 6.595 CV 1
ASSI { 1011}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 18 and name HE% )
6.000 5.500 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.56568E-04 ppm1 5.563 ppm2 6.591 CV 1
ASSI { 1012}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 18 and name HE% )
3.100 1.700 1.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.22862E-02 ppm1 8.703 ppm2 6.597 CV 1
ASSI { 1013}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 18 and name HE% )
4.600 3.100 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.23447E-03 ppm1 8.425 ppm2 6.600 CV 1
ASSI { 1014}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 18 and name HE% )
5.200 3.900 0.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.11284E-03 ppm1 8.341 ppm2 6.598 CV 1
ASSI { 1015}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 18 and name HE% )
4.000 2.500 2.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.21982E-03 ppm1 8.099 ppm2 6.595 CV 1
ASSI { 1016}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 47 and name HN ))
4.100 2.600 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.17439E-03 ppm1 5.672 ppm2 9.617 CV 1
ASSI { 1020}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 39 and name HN ))
4.700 3.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.21543E-03 ppm1 4.692 ppm2 8.497 CV 1
ASSI { 1022}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HN ))
4.500 3.100 1.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.30335E-03 ppm1 3.551 ppm2 8.877 CV 1
ASSI { 1023}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 31 and name HN ))
2.600 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.61403E-02 ppm1 3.444 ppm2 9.185 CV 1
ASSI { 1024}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 40 and name HN ))
5.400 4.100 0.600 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.14157E-03 ppm1 1.442 ppm2 9.055 CV 1
ASSI { 1028}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 48 and name HN ))
5.600 4.500 0.400 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.10390E-03 ppm1 4.934 ppm2 8.348 CV 1
ASSI { 1029}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 48 and name HN ))
3.500 2.000 2.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 5.671 ppm2 8.347 CV 1
ASSI { 1030}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 64 and name HN ))
5.700 4.500 0.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.17879E-03 ppm1 6.891 ppm2 8.410 CV 1
ASSI { 1034}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
3.000 1.600 1.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 8.799 ppm2 8.407 CV 1
ASSI { 1038}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 58 and name HE% )
3.100 1.700 1.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.23447E-02 ppm1 4.612 ppm2 7.197 CV 1
ASSI { 1039}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 58 and name HD% )
5.200 3.900 0.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.12398E-03 ppm1 8.392 ppm2 7.102 CV 1
ASSI { 1042}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 34 and name HA1 ))
1.600 0.800 0.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.43085E-01 ppm1 4.078 ppm2 2.820 CV 1
ASSI { 1043}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
2.500 1.300 1.300 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.63748E-02 ppm1 2.222 ppm2 1.668 CV 1
OR { 1043}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 1044}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HB2 ))
1.700 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.28284E-01 ppm1 1.997 ppm2 1.671 CV 1
ASSI { 1047}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HA ))
6.000 5.000 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.223 ppm2 5.262 CV 1
OR { 1047}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HA ))
ASSI { 1048}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB3 ))
2.300 1.200 1.200 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 2.224 ppm2 1.994 CV 1
OR { 1048}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB3 ))
ASSI { 1049}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HN ))
4.500 3.100 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.27844E-03 ppm1 5.258 ppm2 8.698 CV 1
ASSI { 1050}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 32 and name HN ))
4.900 3.600 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.19344E-03 ppm1 5.442 ppm2 8.394 CV 1
ASSI { 1051}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 44 and name HN ))
5.100 3.800 0.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.16413E-03 ppm1 5.443 ppm2 8.900 CV 1
ASSI { 1055}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.200 1.800 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 1.178 ppm2 8.957 CV 1
ASSI { 1056}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB ))
6.000 5.000 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.199 ppm2 1.433 CV 1
ASSI { 1057}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HG13))
6.000 5.000 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.199 ppm2 0.974 CV 1
ASSI { 1058}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HG13))
2.900 1.500 1.500 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.28870E-02 ppm1 1.432 ppm2 0.975 CV 1
ASSI { 1059}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HG2%)
6.000 5.000 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 0.690 CV 1
ASSI { 1060}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HG12))
6.000 5.000 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 0.598 CV 1
ASSI { 1061}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 61 and name HG12))
1.800 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.17586E-01 ppm1 0.971 ppm2 0.601 CV 1
ASSI { 1062}
(( segid " " and resid 61 and name HG13))
( segid " " and resid 61 and name HD1%)
2.400 1.200 1.200 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.95109E-02 ppm1 0.963 ppm2 -0.015 CV 1
ASSI { 1063}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HD1%)
2.800 1.500 1.500 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.38689E-02 ppm1 1.429 ppm2 -0.016 CV 1
ASSI { 1065}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.786 ppm2 8.953 CV 1
ASSI { 1066}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.278 ppm2 0.828 CV 1
ASSI { 1067}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.320 ppm2 0.828 CV 1
ASSI { 1068}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.320 ppm2 0.785 CV 1
ASSI { 1069}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.280 ppm2 0.787 CV 1
ASSI { 1070}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD1%)
3.100 1.700 1.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.39421E-02 ppm1 4.481 ppm2 0.785 CV 1
ASSI { 1071}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD2%)
3.900 2.400 2.100 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.84994E-03 ppm1 4.481 ppm2 0.830 CV 1
ASSI { 1072}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 34 and name HN ))
5.300 4.000 0.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.13438E-03 ppm1 5.256 ppm2 8.095 CV 1
ASSI { 1073}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 5.000 0.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.69023E-04 ppm1 5.258 ppm2 8.616 CV 1
ASSI { 1074}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.443 ppm2 8.738 CV 1
ASSI { 1075}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 30 and name HA1 ))
1.800 0.900 0.900 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.24620E-01 ppm1 4.610 ppm2 3.446 CV 1
ASSI { 1076}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 35 and name HN ))
5.300 4.000 0.700 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.19051E-03 ppm1 1.452 ppm2 7.805 CV 1
ASSI { 1077}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 9 and name HN ))
5.600 4.500 0.400 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.93646E-04 ppm1 1.460 ppm2 7.645 CV 1
ASSI { 1078}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HE21))
3.500 2.000 2.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.47628E-03 ppm1 1.405 ppm2 7.519 CV 1
ASSI { 1080}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 31 and name HN ))
5.100 3.800 0.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.14552E-03 ppm1 4.478 ppm2 9.185 CV 1
ASSI { 1085}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 47 and name HN ))
4.100 2.600 1.900 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.19051E-03 ppm1 -0.016 ppm2 9.616 CV 1
ASSI { 1086}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 18 and name HN ))
4.700 3.200 1.300 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.85732E-04 ppm1 -0.017 ppm2 9.530 CV 1
ASSI { 1088}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 64 and name HN ))
6.000 5.000 0.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.633 ppm2 8.409 CV 1
ASSI { 1089}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 6 and name HN ))
3.600 2.100 2.100 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.82944E-03 ppm1 4.700 ppm2 8.875 CV 1
ASSI { 1090}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 47 and name HN ))
4.900 3.500 1.100 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.13688E-03 ppm1 3.140 ppm2 9.618 CV 1
ASSI { 1092}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 20 and name HN ))
5.200 3.900 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.11958E-03 ppm1 1.747 ppm2 9.907 CV 1
OR { 1092}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 1093}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 18 and name HN ))
5.400 4.100 0.600 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.14567E-03 ppm1 3.470 ppm2 9.534 CV 1
ASSI { 1094}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 18 and name HN ))
5.400 4.200 0.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.11182E-03 ppm1 4.908 ppm2 9.534 CV 1
ASSI { 1095}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 67 and name HN ))
4.900 3.600 1.100 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.15387E-03 ppm1 1.754 ppm2 8.541 CV 1
OR { 1095}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 67 and name HN ))
ASSI { 1099}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB3 ))
2.800 1.500 1.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.67705E-02 ppm1 4.566 ppm2 2.618 CV 1
ASSI { 1100}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB2 ))
2.400 1.200 1.200 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.96865E-02 ppm1 4.567 ppm2 2.455 CV 1
ASSI { 1101}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 40 and name HB2 ))
3.300 1.900 1.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 4.015 ppm2 2.625 CV 1
ASSI { 1102}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HB2 ))
4.300 2.800 1.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.59352E-03 ppm1 4.167 ppm2 2.452 CV 1
ASSI { 1105}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 33 and name HA ))
5.000 3.600 1.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.56128E-03 ppm1 4.080 ppm2 3.472 CV 1
ASSI { 1107}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 6 and name HA1 ))
1.900 1.000 1.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.15241E-01 ppm1 4.703 ppm2 4.005 CV 1
ASSI { 1108}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 7 and name HD2 ))
2.500 1.300 1.300 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.67998E-02 ppm1 4.703 ppm2 3.546 CV 1
ASSI { 1109}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HA ))
4.800 3.400 1.200 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.47628E-03 ppm1 4.945 ppm2 3.472 CV 1
ASSI { 1110}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 30 and name HA1 ))
4.100 2.600 1.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.50266E-03 ppm1 4.840 ppm2 3.449 CV 1
ASSI { 1111}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 7 and name HD3 ))
3.300 1.900 1.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 4.703 ppm2 3.744 CV 1
ASSI { 1112}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 33 and name HA ))
3.000 1.600 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 4.711 ppm2 3.470 CV 1
ASSI { 1113}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 40 and name HB3 ))
4.200 2.700 1.800 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.46309E-03 ppm1 5.443 ppm2 3.006 CV 1
ASSI { 1115}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 15 and name HB2 ))
4.800 3.400 1.200 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.43671E-03 ppm1 5.564 ppm2 2.463 CV 1
ASSI { 1116}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HB2 ))
4.900 3.400 1.100 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.45577E-03 ppm1 5.263 ppm2 2.623 CV 1
ASSI { 1119}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB2 ))
4.700 3.200 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.66386E-03 ppm1 5.442 ppm2 2.731 CV 1
ASSI { 1121}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 19 and name HB2 ))
4.100 2.600 1.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.56275E-03 ppm1 5.075 ppm2 2.809 CV 1
ASSI { 1123}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 10 and name HB3 ))
4.800 3.400 1.200 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.22275E-03 ppm1 4.841 ppm2 3.073 CV 1
ASSI { 1124}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 58 and name HB2 ))
3.800 2.300 2.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.31361E-03 ppm1 4.489 ppm2 2.972 CV 1
OR { 1124}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 58 and name HB3 ))
ASSI { 1126}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HB3 ))
4.400 2.900 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.55102E-03 ppm1 4.398 ppm2 2.979 CV 1
OR { 1126}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HB2 ))
ASSI { 1127}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB2 ))
4.600 3.200 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.45283E-03 ppm1 4.235 ppm2 2.664 CV 1
OR { 1127}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 1129}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 40 and name HB3 ))
4.800 3.400 1.200 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.26672E-03 ppm1 4.012 ppm2 3.016 CV 1
ASSI { 1130}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 10 and name HB3 ))
4.400 2.900 1.600 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.61403E-03 ppm1 3.620 ppm2 3.074 CV 1
ASSI { 1131}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 10 and name HB2 ))
3.600 2.100 2.100 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 3.619 ppm2 2.689 CV 1
ASSI { 1132}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HB3 ))
3.700 2.200 2.200 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.14625E-02 ppm1 3.789 ppm2 3.009 CV 1
ASSI { 1134}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 15 and name HB2 ))
3.300 1.900 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.34732E-02 ppm1 2.801 ppm2 2.456 CV 1
ASSI { 1135}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
3.800 2.300 2.200 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 2.933 ppm2 2.460 CV 1
ASSI { 1136}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 32 and name HB ))
4.000 2.500 2.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.75769E-03 ppm1 3.106 ppm2 2.242 CV 1
ASSI { 1137}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB ))
2.500 1.300 1.300 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.82944E-02 ppm1 4.947 ppm2 2.239 CV 1
ASSI { 1144}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HD2 ))
3.500 2.000 2.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.26525E-02 ppm1 4.905 ppm2 1.601 CV 1
OR { 1144}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HD3 ))
ASSI { 1145}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HG ))
4.400 2.900 1.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.46455E-03 ppm1 4.945 ppm2 1.537 CV 1
ASSI { 1146}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB2 ))
2.400 1.200 1.200 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.84263E-02 ppm1 4.170 ppm2 1.073 CV 1
ASSI { 1149}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HG2%)
2.700 1.400 1.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.64335E-02 ppm1 4.841 ppm2 0.772 CV 1
ASSI { 1150}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HD1%)
3.200 1.800 1.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.32973E-02 ppm1 4.840 ppm2 0.837 CV 1
ASSI { 1151}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 29 and name HD1%)
2.600 1.400 1.400 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.67852E-02 ppm1 4.487 ppm2 0.735 CV 1
ASSI { 1152}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HG13))
4.700 3.300 1.300 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.30922E-03 ppm1 3.995 ppm2 1.578 CV 1
ASSI { 1154}
(( segid " " and resid 37 and name HA1 ))
( segid " " and resid 4 and name HG2%)
3.100 1.700 1.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.27698E-02 ppm1 3.588 ppm2 1.023 CV 1
ASSI { 1155}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 29 and name HD2%)
2.600 1.300 1.300 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.31361E-02 ppm1 3.786 ppm2 0.770 CV 1
ASSI { 1159}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 12 and name HB ))
3.700 2.200 2.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 4.562 ppm2 1.393 CV 1
ASSI { 1160}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HB2 ))
1.600 0.800 0.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.32094E-01 ppm1 1.749 ppm2 1.176 CV 1
ASSI { 1161}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 45 and name HG3 ))
3.500 2.100 2.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.16267E-02 ppm1 2.841 ppm2 1.245 CV 1
OR { 1161}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 1164}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.210 ppm2 8.317 CV 1
ASSI { 1166}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 67 and name HG1%)
4.000 2.500 2.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.80012E-03 ppm1 5.668 ppm2 0.671 CV 1
ASSI { 1168}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 67 and name HG1%)
5.100 3.700 0.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.21543E-03 ppm1 5.755 ppm2 0.670 CV 1
ASSI { 1170}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 5 and name HD1%)
3.000 1.700 1.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.19784E-02 ppm1 1.675 ppm2 0.707 CV 1
ASSI { 1171}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 2 and name HB% )
3.500 2.100 2.100 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.20370E-02 ppm1 1.783 ppm2 1.297 CV 1
ASSI { 1172}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 5 and name HD1%)
3.300 1.800 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.20810E-02 ppm1 2.224 ppm2 0.707 CV 1
OR { 1172}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 5 and name HD1%)
ASSI { 1173}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 36 and name HD1%)
2.900 1.600 1.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.35611E-02 ppm1 4.335 ppm2 0.815 CV 1
ASSI { 1174}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 36 and name HG2%)
3.500 2.100 2.100 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.13820E-02 ppm1 4.337 ppm2 0.869 CV 1
ASSI { 1175}
(( segid " " and resid 6 and name HA2 ))
( segid " " and resid 36 and name HG2%)
3.400 2.000 2.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.20370E-02 ppm1 4.709 ppm2 0.869 CV 1
ASSI { 1177}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HD1%)
3.300 1.900 1.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.51145E-02 ppm1 3.901 ppm2 0.706 CV 1
ASSI { 1180}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 44 and name HG2%)
3.000 1.600 1.600 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.32826E-02 ppm1 3.006 ppm2 0.900 CV 1
ASSI { 1181}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 5 and name HD1%)
2.700 1.400 1.400 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.56861E-02 ppm1 3.435 ppm2 0.706 CV 1
ASSI { 1183}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HB2 ))
4.000 2.500 2.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.10918E-02 ppm1 3.274 ppm2 1.075 CV 1
ASSI { 1184}
(( segid " " and resid 7 and name HD2 ))
( segid " " and resid 36 and name HD1%)
4.300 2.800 1.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.50559E-03 ppm1 3.552 ppm2 0.815 CV 1
ASSI { 1185}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 36 and name HG2%)
3.800 2.300 2.200 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.96284E-03 ppm1 2.352 ppm2 0.868 CV 1
ASSI { 1186}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 36 and name HD1%)
3.800 2.300 2.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.80600E-03 ppm1 2.353 ppm2 0.811 CV 1
ASSI { 1189}
(( segid " " and resid 7 and name HD3 ))
( segid " " and resid 36 and name HG2%)
3.600 2.100 2.100 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.83388E-03 ppm1 3.747 ppm2 0.869 CV 1
ASSI { 1190}
(( segid " " and resid 7 and name HD2 ))
( segid " " and resid 36 and name HG2%)
3.300 1.800 1.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.26672E-02 ppm1 3.550 ppm2 0.869 CV 1
ASSI { 1195}
(( segid " " and resid 37 and name HA2 ))
( segid " " and resid 4 and name HG2%)
4.000 2.500 2.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.81919E-03 ppm1 4.412 ppm2 1.023 CV 1
ASSI { 1196}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 32 and name HG2%)
4.700 3.300 1.300 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.24034E-03 ppm1 3.113 ppm2 1.111 CV 1
ASSI { 1197}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 29 and name HB2 ))
3.600 2.100 2.100 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 2.727 ppm2 1.177 CV 1
ASSI { 1198}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 32 and name HG2%)
3.200 1.800 1.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.87051E-03 ppm1 2.979 ppm2 1.115 CV 1
OR { 1198}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 32 and name HG2%)
ASSI { 1199}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 32 and name HG1%)
3.100 1.700 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.92471E-03 ppm1 2.980 ppm2 1.002 CV 1
OR { 1199}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 32 and name HG1%)
ASSI { 1200}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 17 and name HA ))
3.300 1.900 1.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.15534E-02 ppm1 5.566 ppm2 5.261 CV 1
ASSI { 1202}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 47 and name HA ))
5.600 4.400 0.400 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.14801E-03 ppm1 4.169 ppm2 5.755 CV 1
ASSI { 1205}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 47 and name HA ))
4.900 3.500 1.100 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.31654E-03 ppm1 1.427 ppm2 5.755 CV 1
OR { 1205}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 47 and name HA ))
OR { 1205}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 47 and name HA ))
ASSI { 1206}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 47 and name HA ))
4.100 2.600 1.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.55395E-03 ppm1 1.079 ppm2 5.755 CV 1
ASSI { 1208}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 31 and name HA ))
4.000 2.500 2.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.92908E-03 ppm1 1.004 ppm2 5.694 CV 1
ASSI { 1211}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 66 and name HA ))
5.300 4.100 0.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.18319E-03 ppm1 4.110 ppm2 5.676 CV 1
ASSI { 1212}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 66 and name HA ))
2.900 1.600 1.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 5.754 ppm2 5.674 CV 1
ASSI { 1216}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HA ))
5.700 4.600 0.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.15387E-03 ppm1 5.441 ppm2 5.712 CV 1
ASSI { 1217}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG3 ))
3.800 2.300 2.200 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.86464E-03 ppm1 4.878 ppm2 2.311 CV 1
ASSI { 1218}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HB2 ))
4.800 3.400 1.200 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.24473E-03 ppm1 4.568 ppm2 1.696 CV 1
ASSI { 1219}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 17 and name HB2 ))
3.300 1.900 1.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.66679E-03 ppm1 4.080 ppm2 1.677 CV 1
ASSI { 1220}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 35 and name HB ))
5.200 3.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.19198E-03 ppm1 4.074 ppm2 1.896 CV 1
ASSI { 1222}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HG13))
3.400 1.900 1.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 4.841 ppm2 1.510 CV 1
ASSI { 1224}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 17 and name HB2 ))
5.300 4.000 0.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.12662E-03 ppm1 3.978 ppm2 1.670 CV 1
ASSI { 1225}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 5.000 0.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.711 ppm2 1.439 CV 1
OR { 1225}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 1226}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HD2 ))
6.000 5.000 0.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.278 ppm2 1.451 CV 1
OR { 1226}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HD3 ))
OR { 1226}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HG3 ))
OR { 1226}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HG2 ))
ASSI { 1228}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 61 and name HD1%)
3.100 1.700 1.700 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.24034E-02 ppm1 3.050 ppm2 -0.016 CV 1
ASSI { 1229}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 61 and name HD1%)
3.500 2.000 2.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.15241E-02 ppm1 2.882 ppm2 -0.015 CV 1
ASSI { 1230}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 61 and name HD1%)
4.200 2.700 1.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.46455E-03 ppm1 2.790 ppm2 -0.016 CV 1
ASSI { 1232}
(( segid " " and resid 49 and name HB2 ))
( segid " " and resid 61 and name HD1%)
3.900 2.400 2.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.76056E-03 ppm1 2.461 ppm2 -0.016 CV 1
ASSI { 1233}
( segid " " and resid 59 and name HD2%)
( segid " " and resid 61 and name HD1%)
3.100 1.700 1.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.25792E-02 ppm1 0.819 ppm2 -0.016 CV 1
ASSI { 1236}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 48 and name HB2 ))
5.000 3.600 1.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.19637E-03 ppm1 4.918 ppm2 1.075 CV 1
ASSI { 1237}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 61 and name HG2%)
4.200 2.700 1.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.42352E-03 ppm1 3.783 ppm2 0.693 CV 1
ASSI { 1241}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 32 and name HG2%)
4.600 3.200 1.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.30629E-03 ppm1 5.697 ppm2 1.117 CV 1
ASSI { 1242}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 4 and name HG2%)
3.800 2.300 2.200 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.93940E-03 ppm1 4.879 ppm2 1.023 CV 1
ASSI { 1243}
( segid " " and resid 63 and name HB% )
( segid " " and resid 29 and name HD2%)
2.700 1.400 1.400 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.24181E-02 ppm1 1.397 ppm2 0.770 CV 1
ASSI { 1245}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HN ))
3.400 1.900 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 0.680 ppm2 8.689 CV 1
ASSI { 1246}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HN ))
3.100 1.700 1.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 1.024 ppm2 8.686 CV 1
ASSI { 1247}
(( segid " " and resid 5 and name HG12))
( segid " " and resid 5 and name HG2%)
3.200 1.700 1.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.14948E-02 ppm1 1.076 ppm2 0.674 CV 1
ASSI { 1248}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HG2%)
3.800 2.300 2.200 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.68586E-03 ppm1 3.899 ppm2 0.678 CV 1
ASSI { 1249}
(( segid " " and resid 39 and name HG2 ))
( segid " " and resid 2 and name HB% )
4.100 2.600 1.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.52464E-03 ppm1 2.226 ppm2 1.301 CV 1
ASSI { 1250}
(( segid " " and resid 39 and name HG3 ))
( segid " " and resid 2 and name HB% )
5.800 4.700 0.200 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.90714E-04 ppm1 2.309 ppm2 1.301 CV 1
ASSI { 1251}
(( segid " " and resid 41 and name HA1 ))
( segid " " and resid 2 and name HB% )
3.900 2.400 2.100 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.72543E-03 ppm1 3.748 ppm2 1.301 CV 1
ASSI { 1252}
(( segid " " and resid 41 and name HA2 ))
( segid " " and resid 2 and name HB% )
3.700 2.200 2.200 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.11899E-02 ppm1 4.426 ppm2 1.300 CV 1
ASSI { 1253}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HG2 ))
2.300 1.100 1.100 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.54662E-02 ppm1 2.309 ppm2 2.226 CV 1
ASSI { 1254}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 39 and name HE22))
5.300 3.900 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.18025E-03 ppm1 1.300 ppm2 6.773 CV 1
ASSI { 1255}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 3 and name HG2%)
3.900 2.400 2.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.25939E-03 ppm1 2.625 ppm2 1.198 CV 1
ASSI { 1256}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 4 and name HG2%)
4.900 3.500 1.100 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.40887E-03 ppm1 4.013 ppm2 1.024 CV 1
ASSI { 1257}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 4 and name HG2%)
5.000 3.600 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.19198E-03 ppm1 4.564 ppm2 1.021 CV 1
ASSI { 1258}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 6 and name HN ))
6.000 5.300 0.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.80163E-04 ppm1 1.024 ppm2 8.877 CV 1
ASSI { 1259}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 39 and name HE22))
6.000 5.000 0.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.10214E-03 ppm1 1.024 ppm2 6.774 CV 1
ASSI { 1260}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 39 and name HE21))
6.000 5.000 0.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.698 ppm2 7.402 CV 1
ASSI { 1261}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.922 ppm2 8.688 CV 1
ASSI { 1263}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 34 and name HN ))
5.400 4.100 0.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.11826E-03 ppm1 0.705 ppm2 8.098 CV 1
ASSI { 1264}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 9 and name HN ))
5.300 4.100 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.10156E-03 ppm1 2.020 ppm2 7.644 CV 1
ASSI { 1265}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 5 and name HG2%)
3.600 2.100 2.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.93940E-03 ppm1 1.674 ppm2 0.683 CV 1
ASSI { 1266}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG12))
6.000 5.000 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.899 ppm2 1.078 CV 1
ASSI { 1267}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 37 and name HN ))
3.900 2.400 2.100 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.67852E-03 ppm1 0.705 ppm2 9.120 CV 1
ASSI { 1269}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.286 ppm2 9.185 CV 1
ASSI { 1272}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 66 and name HN ))
5.500 4.300 0.500 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.18905E-03 ppm1 2.603 ppm2 7.714 CV 1
ASSI { 1273}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 65 and name HD21))
6.000 5.000 0.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.385 ppm2 7.562 CV 1
ASSI { 1276}
( segid " " and resid 16 and name HZ% )
(( segid " " and resid 16 and name HB2 ))
6.000 5.000 0.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.981 ppm2 1.694 CV 1
ASSI { 1277}
( segid " " and resid 16 and name HZ% )
(( segid " " and resid 16 and name HG3 ))
3.400 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.30335E-02 ppm1 2.981 ppm2 1.428 CV 1
OR { 1277}
( segid " " and resid 16 and name HZ% )
(( segid " " and resid 16 and name HG2 ))
ASSI { 1278}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 47 and name HN ))
5.500 4.300 0.500 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.10815E-03 ppm1 1.805 ppm2 9.614 CV 1
ASSI { 1281}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HN ))
5.000 3.600 1.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.18319E-03 ppm1 3.472 ppm2 8.395 CV 1
ASSI { 1282}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HB2 ))
6.000 5.000 0.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.311 ppm2 1.781 CV 1
ASSI { 1283}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HB2 ))
6.000 5.000 0.000 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.224 ppm2 1.782 CV 1
ASSI { 1284}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HB2 ))
3.400 2.000 2.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.11299E-02 ppm1 3.783 ppm2 2.933 CV 1
ASSI { 1285}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 41 and name HA1 ))
6.000 5.000 0.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.643 ppm2 3.741 CV 1
ASSI { 1287}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 3 and name HN ))
5.600 4.400 0.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.10815E-03 ppm1 3.007 ppm2 8.212 CV 1
ASSI { 1288}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 3 and name HN ))
6.000 5.000 0.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.079 ppm2 8.212 CV 1
ASSI { 1289}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.025 ppm2 9.119 CV 1
ASSI { 1290}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 39 and name HN ))
4.400 2.900 1.600 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.45723E-03 ppm1 1.025 ppm2 8.499 CV 1
ASSI { 1291}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 4 and name HA ))
3.100 1.700 1.700 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.26525E-02 ppm1 4.878 ppm2 4.698 CV 1
ASSI { 1292}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 5 and name HN ))
3.600 2.100 2.100 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 4.878 ppm2 8.686 CV 1
ASSI { 1293}
(( segid " " and resid 5 and name HG13))
( segid " " and resid 5 and name HG2%)
6.000 5.000 0.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.448 ppm2 0.674 CV 1
ASSI { 1296}
( segid " " and resid 44 and name HG2%)
( segid " " and resid 5 and name HG2%)
6.000 5.000 0.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.900 ppm2 0.676 CV 1
ASSI { 1297}
( segid " " and resid 44 and name HG2%)
( segid " " and resid 5 and name HD1%)
6.000 5.000 0.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.900 ppm2 0.712 CV 1
ASSI { 1298}
( segid " " and resid 44 and name HG1%)
( segid " " and resid 5 and name HD1%)
6.000 5.000 0.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.828 ppm2 0.714 CV 1
ASSI { 1300}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG2 ))
3.100 1.700 1.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.26232E-02 ppm1 4.904 ppm2 1.248 CV 1
OR { 1300}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG3 ))
ASSI { 1302}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 42 and name HB% )
6.000 5.000 0.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.812 ppm2 1.408 CV 1
ASSI { 1304}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 29 and name HD1%)
6.000 5.000 0.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.878 ppm2 0.735 CV 1
OR { 1304}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 29 and name HD1%)
ASSI { 1306}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 18 and name HB2 ))
5.400 4.100 0.600 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.15094E-03 ppm1 3.472 ppm2 2.625 CV 1
ASSI { 1307}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 18 and name HB3 ))
6.000 5.000 0.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.471 ppm2 2.792 CV 1
ASSI { 1308}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HA1 ))
6.000 5.000 0.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.071 ppm2 3.755 CV 1
ASSI { 1309}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 10 and name HB3 ))
6.000 5.000 0.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.257 ppm2 3.070 CV 1
ASSI { 1310}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 39 and name HG3 ))
4.700 3.300 1.300 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.33560E-03 ppm1 4.694 ppm2 2.311 CV 1
ASSI { 1311}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 39 and name HG2 ))
3.700 2.200 2.200 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.10903E-02 ppm1 4.694 ppm2 2.226 CV 1
ASSI { 1312}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 10 and name HB2 ))
3.900 2.400 2.100 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.66533E-03 ppm1 4.838 ppm2 2.690 CV 1
ASSI { 1313}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HG2 ))
4.800 3.400 1.200 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.31068E-03 ppm1 5.731 ppm2 2.456 CV 1
OR { 1313}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 1316}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
2.300 1.100 1.100 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.14084E-01 ppm1 4.900 ppm2 1.751 CV 1
OR { 1316}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 1317}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HG2%)
6.000 5.000 0.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.356 ppm2 1.215 CV 1
ASSI { 1318}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 54 and name HG2%)
6.000 5.000 0.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.323 ppm2 1.215 CV 1
ASSI { 1319}
(( segid " " and resid 1 and name HA ))
( segid " " and resid 2 and name HB% )
6.000 5.000 0.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.169 ppm2 1.300 CV 1
ASSI { 1320}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 51 and name HN ))
6.000 5.200 0.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.87345E-04 ppm1 4.562 ppm2 8.131 CV 1
ASSI { 1321}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 66 and name HN ))
6.000 5.000 0.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.566 ppm2 7.717 CV 1
ASSI { 1322}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 65 and name HD22))
6.000 5.700 0.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.12061E-03 ppm1 1.078 ppm2 7.042 CV 1
ASSI { 1323}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HN ))
6.000 5.000 0.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.836 ppm2 8.171 CV 1
ASSI { 1324}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB3 ))
6.000 5.000 0.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.169 ppm2 1.439 CV 1
ASSI { 1325}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HG3 ))
6.000 5.000 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.169 ppm2 1.439 CV 1
OR { 1325}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HG2 ))
ASSI { 1326}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.427 ppm2 8.723 CV 1
ASSI { 1327}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
3.100 1.700 1.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 4.733 ppm2 8.740 CV 1
ASSI { 1328}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 30 and name HN ))
3.300 1.800 1.800 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.20517E-02 ppm1 2.462 ppm2 8.739 CV 1
OR { 1328}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 1331}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 30 and name HN ))
4.100 2.600 1.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.48068E-03 ppm1 9.103 ppm2 8.738 CV 1
ASSI { 1332}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
4.100 2.700 1.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.53490E-03 ppm1 1.761 ppm2 8.741 CV 1
ASSI { 1333}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 30 and name HN ))
4.900 3.500 1.100 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.22569E-03 ppm1 1.549 ppm2 8.738 CV 1
ASSI { 1334}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.400 1.900 1.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 1.178 ppm2 8.738 CV 1
ASSI { 1335}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.743 ppm2 8.738 CV 1
ASSI { 1336}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 30 and name HN ))
4.600 3.200 1.400 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.87632E-04 ppm1 -0.017 ppm2 8.736 CV 1
ASSI { 1337}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.271 ppm2 8.725 CV 1
ASSI { 1338}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
4.600 3.100 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.35611E-03 ppm1 9.178 ppm2 8.738 CV 1
ASSI { 1339}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 45 and name HG3 ))
3.100 1.700 1.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.22422E-02 ppm1 2.722 ppm2 1.246 CV 1
OR { 1339}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 1340}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 9.115 CV 1
ASSI { 1341}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 15 and name HD% )
6.000 5.000 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.030 ppm2 6.977 CV 1
ASSI { 1342}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 58 and name HE% )
6.000 5.000 0.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.934 ppm2 7.200 CV 1
OR { 1342}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 58 and name HE% )
ASSI { 1343}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 58 and name HE% )
3.500 2.100 2.100 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.44990E-03 ppm1 5.696 ppm2 7.199 CV 1
ASSI { 1344}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 18 and name HE% )
6.000 5.000 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.193 ppm2 6.594 CV 1
ASSI { 1346}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 35 and name HN ))
6.000 5.000 0.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.445 ppm2 7.804 CV 1
ASSI { 1347}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.839 ppm2 8.173 CV 1
ASSI { 1348}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HG12))
3.400 2.000 2.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 4.841 ppm2 1.184 CV 1
ASSI { 1350}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 31 and name HN ))
3.700 2.200 2.200 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.10859E-02 ppm1 4.841 ppm2 9.182 CV 1
ASSI { 1351}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HB ))
6.000 5.000 0.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.841 ppm2 1.772 CV 1
ASSI { 1353}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HG2 ))
6.000 5.000 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.613 ppm2 1.436 CV 1
OR { 1353}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 1354}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 28 and name HN ))
6.000 5.000 0.000 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 8.180 CV 1
ASSI { 1355}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.908 ppm2 8.901 CV 1
ASSI { 1357}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 19 and name HA ))
3.100 1.700 1.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 4.723 ppm2 5.443 CV 1
ASSI { 1358}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 19 and name HA ))
5.500 4.300 0.500 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.12735E-03 ppm1 0.826 ppm2 5.443 CV 1
ASSI { 1359}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 19 and name HA ))
4.100 2.600 1.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.57153E-03 ppm1 0.901 ppm2 5.443 CV 1
ASSI { 1367}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 46 and name HA ))
6.000 5.000 0.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.059 ppm2 5.564 CV 1
ASSI { 1370}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 66 and name HA ))
6.000 5.000 0.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.888 ppm2 5.677 CV 1
ASSI { 1371}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 29 and name HD1%)
6.000 5.000 0.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.722 ppm2 0.731 CV 1
ASSI { 1372}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 29 and name HD1%)
3.600 2.200 2.200 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.88808E-03 ppm1 2.837 ppm2 0.734 CV 1
ASSI { 1375}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 29 and name HD2%)
4.100 2.600 1.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.54956E-03 ppm1 2.841 ppm2 0.768 CV 1
ASSI { 1377}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 29 and name HB2 ))
2.900 1.500 1.500 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.36930E-02 ppm1 2.842 ppm2 1.176 CV 1
ASSI { 1379}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 29 and name HD1%)
3.700 2.200 2.200 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 2.715 ppm2 0.734 CV 1
ASSI { 1382}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 44 and name HG2%)
6.000 5.000 0.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.835 ppm2 0.898 CV 1
ASSI { 1384}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 45 and name HG3 ))
6.000 5.000 0.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.754 ppm2 1.246 CV 1
OR { 1384}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 45 and name HG2 ))
OR { 1384}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 45 and name HG3 ))
OR { 1384}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 1386}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 42 and name HB% )
4.400 3.000 1.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.25792E-03 ppm1 2.187 ppm2 1.408 CV 1
ASSI { 1387}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 42 and name HB% )
4.000 2.500 2.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.64041E-03 ppm1 2.086 ppm2 1.408 CV 1
ASSI { 1388}
(( segid " " and resid 39 and name HG3 ))
( segid " " and resid 4 and name HG2%)
4.300 2.800 1.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.13820E-03 ppm1 2.312 ppm2 1.026 CV 1
ASSI { 1395}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.971 ppm2 8.723 CV 1
ASSI { 1396}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HB2 ))
6.000 5.000 0.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.707 ppm2 3.618 CV 1
ASSI { 1397}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
6.000 5.000 0.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.741 ppm2 3.709 CV 1
ASSI { 1398}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
6.000 5.000 0.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.741 ppm2 3.619 CV 1
ASSI { 1399}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
3.200 1.800 1.800 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 4.742 ppm2 8.176 CV 1
ASSI { 1400}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 63 and name HN ))
4.600 3.100 1.400 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.32094E-03 ppm1 0.701 ppm2 8.804 CV 1
ASSI { 1401}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 40 and name HN ))
3.800 2.300 2.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.30629E-03 ppm1 0.678 ppm2 9.055 CV 1
ASSI { 1402}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 23 and name HN ))
3.400 1.900 1.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.59791E-03 ppm1 0.732 ppm2 8.629 CV 1
ASSI { 1403}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 61 and name HG2%)
5.700 4.600 0.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.12486E-03 ppm1 4.644 ppm2 0.691 CV 1
ASSI { 1404}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 61 and name HG2%)
3.900 2.400 2.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 2.882 ppm2 0.691 CV 1
ASSI { 1407}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 29 and name HD2%)
6.000 5.000 0.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.714 ppm2 0.771 CV 1
ASSI { 1408}
(( segid " " and resid 60 and name HG12))
( segid " " and resid 60 and name HD1%)
6.000 5.000 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.189 ppm2 0.839 CV 1
ASSI { 1409}
(( segid " " and resid 60 and name HG13))
( segid " " and resid 60 and name HD1%)
6.000 5.000 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.505 ppm2 0.840 CV 1
ASSI { 1410}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 60 and name HD1%)
6.000 5.000 0.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.765 ppm2 0.838 CV 1
ASSI { 1411}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.839 ppm2 8.173 CV 1
ASSI { 1412}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
6.000 5.000 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.048 ppm2 4.329 CV 1
ASSI { 1413}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.045 ppm2 8.588 CV 1
ASSI { 1416}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.789 ppm2 8.321 CV 1
ASSI { 1417}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 16 and name HN ))
4.400 2.900 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.14801E-03 ppm1 5.753 ppm2 8.699 CV 1
ASSI { 1419}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.045 ppm2 8.743 CV 1
OR { 1419}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 1420}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 31 and name HN ))
3.700 2.200 2.200 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.32973E-03 ppm1 4.953 ppm2 9.182 CV 1
ASSI { 1421}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.004 ppm2 9.182 CV 1
ASSI { 1423}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 42 and name HB% )
6.000 5.000 0.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.444 ppm2 1.407 CV 1
ASSI { 1424}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 42 and name HB% )
6.000 5.000 0.000 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.732 ppm2 1.407 CV 1
ASSI { 1426}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 61 and name HG13))
4.900 3.500 1.100 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.29016E-03 ppm1 2.617 ppm2 0.969 CV 1
ASSI { 1427}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 35 and name HG1%)
4.900 3.400 1.100 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.28284E-03 ppm1 3.440 ppm2 0.938 CV 1
ASSI { 1429}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 64 and name HB% )
4.300 2.800 1.700 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.51438E-03 ppm1 4.927 ppm2 1.380 CV 1
ASSI { 1430}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 2 and name HB% )
6.000 5.000 0.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.624 ppm2 1.315 CV 1
ASSI { 1431}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 45 and name HB3 ))
3.900 2.400 2.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.11005E-02 ppm1 2.839 ppm2 1.746 CV 1
OR { 1431}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 1433}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 5 and name HG2%)
6.000 5.000 0.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.114 ppm2 0.677 CV 1
ASSI { 1438}
(( segid " " and resid 55 and name HA1 ))
( segid " " and resid 51 and name HG2%)
3.800 2.300 2.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.28723E-03 ppm1 3.890 ppm2 0.921 CV 1
OR { 1438}
(( segid " " and resid 55 and name HA1 ))
( segid " " and resid 51 and name HG1%)
ASSI { 1440}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 23 and name HE% )
6.000 5.000 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.606 ppm2 2.042 CV 1
ASSI { 1442}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG2 ))
3.800 2.300 2.200 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.85145E-03 ppm1 4.874 ppm2 2.227 CV 1
ASSI { 1444}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 17 and name HG3 ))
6.000 5.000 0.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.075 ppm2 2.232 CV 1
OR { 1444}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 1445}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
3.400 1.900 1.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 3.754 ppm2 2.727 CV 1
OR { 1445}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 1447}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 36 and name HA ))
4.400 2.900 1.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.68880E-03 ppm1 3.597 ppm2 3.431 CV 1
ASSI { 1449}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HB3 ))
6.000 5.000 0.000 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.798 ppm2 3.879 CV 1
OR { 1449}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 1451}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HG2%)
6.000 5.000 0.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.400 ppm2 0.910 CV 1
ASSI { 1452}
( segid " " and resid 3 and name HG2%)
( segid " " and resid 44 and name HG2%)
6.000 5.000 0.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.209 ppm2 0.898 CV 1
ASSI { 1453}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 9 and name HG2%)
4.300 2.800 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.49533E-03 ppm1 5.257 ppm2 1.271 CV 1
ASSI { 1}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 60 and name HG2%)
6.000 5.000 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.962 ppm2 0.763 CV 1
ASSI { 2}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB ))
6.000 5.000 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.953 ppm2 1.767 CV 1
ASSI { 8}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.124 ppm2 9.530 CV 1
ASSI { 14}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 35 and name HG1%)
6.000 5.000 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.704 ppm2 0.931 CV 1
ASSI { 47}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.949 ppm2 9.189 CV 1
ASSI { 67}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG3 ))
6.000 5.000 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.345 ppm2 1.439 CV 1
OR { 67}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG2 ))
ASSI { 77}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 35 and name HG2%)
6.000 5.000 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.807 ppm2 0.926 CV 1
ASSI { 164}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 17 and name HG3 ))
6.000 5.000 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.096 ppm2 2.221 CV 1
OR { 164}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 195}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HG3 ))
6.000 5.000 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.612 ppm2 2.040 CV 1
OR { 195}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HG2 ))
ASSI { 237}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 44 and name HA ))
6.000 5.000 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.906 ppm2 4.728 CV 1
ASSI { 263}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 6 and name HA2 ))
6.000 5.000 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.118 ppm2 4.697 CV 1
ASSI { 290}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 62 and name HB3 ))
6.000 5.000 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.411 ppm2 2.805 CV 1
ASSI { 308}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 19 and name HA ))
6.000 5.000 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.123 ppm2 5.436 CV 1
ASSI { 309}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 5.000 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.123 ppm2 9.918 CV 1
ASSI { 340}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HD2 ))
6.000 5.000 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 1.434 CV 1
OR { 340}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HD3 ))
ASSI { 367}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 42 and name HB% )
6.000 5.000 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.103 ppm2 1.401 CV 1
ASSI { 368}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 29 and name HB2 ))
6.000 5.000 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.103 ppm2 1.168 CV 1
ASSI { 369}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 29 and name HD1%)
6.000 5.000 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.104 ppm2 0.735 CV 1
ASSI { 370}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 30 and name HA1 ))
6.000 5.000 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.101 ppm2 3.450 CV 1
ASSI { 371}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HA ))
6.000 5.000 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.104 ppm2 4.487 CV 1
ASSI { 389}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.096 ppm2 8.732 CV 1
ASSI { 391}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 5 and name HG2%)
6.000 5.000 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.233 ppm2 0.686 CV 1
ASSI { 405}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HG2 ))
6.000 5.000 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.900 ppm2 1.237 CV 1
OR { 405}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HG3 ))
ASSI { 437}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
6.000 5.000 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.174 ppm2 1.282 CV 1
ASSI { 441}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 61 and name HG2%)
6.000 5.000 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.251 ppm2 0.696 CV 1
ASSI { 452}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 15 and name HD% )
6.000 5.000 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 6.970 CV 1
ASSI { 456}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HB ))
6.000 5.000 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.610 ppm2 3.982 CV 1
ASSI { 467}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD2 ))
6.000 5.000 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.694 ppm2 3.608 CV 1
ASSI { 477}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 44 and name HG1%)
6.000 5.000 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.534 ppm2 0.829 CV 1
ASSI { 483}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 32 and name HG1%)
6.000 5.000 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.138 ppm2 1.005 CV 1
ASSI { 492}
(( segid " " and resid 65 and name HD21))
(( segid " " and resid 62 and name HB3 ))
6.000 5.000 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.557 ppm2 2.816 CV 1
ASSI { 493}
(( segid " " and resid 65 and name HD21))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.555 ppm2 2.732 CV 1
ASSI { 495}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG12))
6.000 5.000 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.957 ppm2 1.195 CV 1
ASSI { 498}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
6.000 5.000 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.956 ppm2 4.739 CV 1
ASSI { 710}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 18 and name HN ))
3.400 2.000 2.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 0.832 ppm2 9.532 CV 1
OR { 710}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 18 and name HN ))
ASSI { 712}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 18 and name HN ))
4.600 3.100 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.38102E-03 ppm1 1.257 ppm2 9.537 CV 1
OR { 712}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 18 and name HN ))
OR { 712}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 18 and name HN ))
ASSI { 716}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 47 and name HN ))
4.200 2.700 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.55249E-03 ppm1 1.693 ppm2 9.614 CV 1
OR { 716}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 47 and name HN ))
ASSI { 720}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 20 and name HN ))
3.600 2.100 2.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 4.728 ppm2 9.908 CV 1
OR { 720}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 20 and name HN ))
ASSI { 721}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HN ))
5.300 4.000 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.14655E-03 ppm1 4.820 ppm2 9.907 CV 1
OR { 721}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 20 and name HN ))
ASSI { 733}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.500 2.000 2.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.20077E-02 ppm1 9.910 ppm2 9.122 CV 1
OR { 733}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
ASSI { 735}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 45 and name HN ))
2.900 1.600 1.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.45577E-02 ppm1 9.531 ppm2 9.124 CV 1
OR { 735}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
ASSI { 736}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 61 and name HN ))
3.500 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 9.181 ppm2 8.955 CV 1
OR { 736}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 59 and name HN ))
ASSI { 744}
( segid " " and resid 58 and name HE% )
(( segid " " and resid 59 and name HN ))
4.500 3.000 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10317E-03 ppm1 7.196 ppm2 8.950 CV 1
OR { 744}
( segid " " and resid 58 and name HE% )
(( segid " " and resid 61 and name HN ))
ASSI { 758}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 61 and name HN ))
3.200 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.29163E-02 ppm1 4.611 ppm2 8.956 CV 1
OR { 758}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 29 and name HN ))
OR { 758}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 760}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 37 and name HN ))
4.200 2.700 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.37956E-03 ppm1 4.007 ppm2 9.123 CV 1
OR { 760}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HN ))
ASSI { 761}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 37 and name HN ))
4.300 2.800 1.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.41766E-03 ppm1 3.894 ppm2 9.117 CV 1
OR { 761}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 21 and name HN ))
OR { 761}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 762}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 37 and name HN ))
5.400 4.100 0.600 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10507E-03 ppm1 3.753 ppm2 9.119 CV 1
OR { 762}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 45 and name HN ))
OR { 762}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 45 and name HN ))
ASSI { 763}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 61 and name HN ))
4.900 3.500 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.20663E-03 ppm1 2.881 ppm2 8.953 CV 1
OR { 763}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 764}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 61 and name HN ))
4.400 3.000 1.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.32094E-03 ppm1 2.622 ppm2 8.952 CV 1
OR { 764}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 61 and name HN ))
OR { 764}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 61 and name HN ))
ASSI { 776}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 63 and name HN ))
3.600 2.100 2.100 peak 776 spectrum 1 weight 0.10000E+01 volume 0.51585E-03 ppm1 0.765 ppm2 8.803 CV 1
OR { 776}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 63 and name HN ))
ASSI { 783}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 19 and name HN ))
4.800 3.400 1.200 peak 783 spectrum 1 weight 0.10000E+01 volume 0.66972E-04 ppm1 -0.017 ppm2 9.124 CV 1
OR { 783}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 21 and name HN ))
ASSI { 784}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 49 and name HN ))
4.700 3.300 1.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.76206E-04 ppm1 -0.014 ppm2 8.414 CV 1
OR { 784}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 32 and name HN ))
ASSI { 785}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 48 and name HN ))
5.200 3.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.46309E-04 ppm1 -0.014 ppm2 8.335 CV 1
OR { 785}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 50 and name HN ))
ASSI { 791}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 48 and name HN ))
4.400 3.000 1.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.19931E-03 ppm1 0.689 ppm2 8.348 CV 1
OR { 791}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 48 and name HN ))
ASSI { 793}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.822 ppm2 8.615 CV 1
OR { 793}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 10 and name HN ))
ASSI { 804}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 34 and name HN ))
5.500 4.300 0.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.92033E-04 ppm1 2.224 ppm2 8.096 CV 1
OR { 804}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 34 and name HN ))
OR { 804}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 34 and name HN ))
ASSI { 814}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 49 and name HN ))
5.100 3.800 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.30335E-03 ppm1 3.279 ppm2 8.417 CV 1
OR { 814}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 64 and name HN ))
ASSI { 819}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HN ))
5.400 4.100 0.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.12515E-03 ppm1 3.607 ppm2 8.692 CV 1
OR { 819}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 36 and name HN ))
OR { 819}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 5 and name HN ))
ASSI { 820}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 10 and name HN ))
4.200 2.700 1.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.19637E-03 ppm1 3.616 ppm2 8.622 CV 1
OR { 820}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 821}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 27 and name HN ))
5.400 4.100 0.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.36198E-04 ppm1 3.621 ppm2 8.566 CV 1
OR { 821}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 11 and name HN ))
ASSI { 848}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.400 1.200 1.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.11241E-01 ppm1 8.615 ppm2 7.648 CV 1
OR { 848}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
ASSI { 856}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 68 and name HN ))
5.700 4.500 0.300 peak 856 spectrum 1 weight 0.10000E+01 volume 0.80012E-04 ppm1 9.092 ppm2 8.171 CV 1
OR { 856}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 60 and name HN ))
ASSI { 867}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 65 and name HD21))
4.700 3.300 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.32094E-03 ppm1 4.192 ppm2 7.565 CV 1
OR { 867}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 65 and name HD21))
ASSI { 873}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 12 and name HN ))
4.900 3.500 1.100 peak 873 spectrum 1 weight 0.10000E+01 volume 0.31654E-03 ppm1 2.687 ppm2 7.465 CV 1
OR { 873}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 12 and name HN ))
OR { 873}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 12 and name HN ))
ASSI { 877}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 66 and name HN ))
4.500 3.000 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.79869E-03 ppm1 1.388 ppm2 7.713 CV 1
OR { 877}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 66 and name HN ))
ASSI { 878}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 62 and name HD21))
4.200 2.700 1.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.38395E-03 ppm1 1.386 ppm2 7.653 CV 1
OR { 878}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 62 and name HD21))
ASSI { 882}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 35 and name HN ))
3.900 2.400 2.100 peak 882 spectrum 1 weight 0.10000E+01 volume 0.59206E-03 ppm1 0.826 ppm2 7.805 CV 1
OR { 882}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 35 and name HN ))
ASSI { 885}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 66 and name HN ))
3.700 2.200 2.200 peak 885 spectrum 1 weight 0.10000E+01 volume 0.41473E-03 ppm1 0.777 ppm2 7.713 CV 1
OR { 885}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 66 and name HN ))
ASSI { 892}
( segid " " and resid 61 and name HG2%)
( segid " " and resid 18 and name HD% )
4.400 3.000 1.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.43378E-03 ppm1 0.688 ppm2 6.803 CV 1
OR { 892}
( segid " " and resid 5 and name HD1%)
( segid " " and resid 18 and name HD% )
ASSI { 900}
( segid " " and resid 60 and name HD1%)
( segid " " and resid 58 and name HD% )
3.500 2.100 2.100 peak 900 spectrum 1 weight 0.10000E+01 volume 0.57153E-03 ppm1 0.836 ppm2 7.102 CV 1
OR { 900}
( segid " " and resid 59 and name HD2%)
( segid " " and resid 58 and name HD% )
ASSI { 908}
(( segid " " and resid 60 and name HG12))
( segid " " and resid 58 and name HE% )
3.700 2.200 2.200 peak 908 spectrum 1 weight 0.10000E+01 volume 0.57447E-03 ppm1 1.183 ppm2 7.202 CV 1
OR { 908}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 58 and name HE% )
ASSI { 910}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 62 and name HD22))
3.200 1.800 1.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.76937E-03 ppm1 1.380 ppm2 6.886 CV 1
OR { 910}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 62 and name HD22))
ASSI { 912}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 18 and name HD% )
5.400 4.200 0.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.15094E-03 ppm1 1.434 ppm2 6.801 CV 1
OR { 912}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 18 and name HD% )
OR { 912}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 18 and name HD% )
ASSI { 916}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 18 and name HD% )
3.800 2.300 2.200 peak 916 spectrum 1 weight 0.10000E+01 volume 0.93059E-03 ppm1 1.699 ppm2 6.800 CV 1
OR { 916}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 18 and name HD% )
ASSI { 923}
( segid " " and resid 23 and name HE% )
( segid " " and resid 58 and name HD% )
5.100 3.800 0.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.89245E-04 ppm1 2.056 ppm2 7.104 CV 1
OR { 923}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 58 and name HD% )
ASSI { 925}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 65 and name HD22))
6.000 5.200 0.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.95259E-04 ppm1 2.602 ppm2 7.040 CV 1
OR { 925}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 65 and name HD22))
ASSI { 936}
(( segid " " and resid 46 and name HB3 ))
( segid " " and resid 15 and name HD% )
3.400 1.900 1.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.18465E-02 ppm1 2.924 ppm2 6.977 CV 1
OR { 936}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 15 and name HD% )
ASSI { 937}
(( segid " " and resid 65 and name HB2 ))
( segid " " and resid 15 and name HE% )
4.100 2.600 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.63895E-03 ppm1 2.905 ppm2 6.744 CV 1
OR { 937}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 963}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 58 and name HE% )
4.300 2.900 1.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.15974E-03 ppm1 8.952 ppm2 7.203 CV 1
OR { 963}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 58 and name HE% )
ASSI { 972}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 62 and name HD22))
4.500 3.000 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.11621E-03 ppm1 8.406 ppm2 6.888 CV 1
OR { 972}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 62 and name HD22))
ASSI { 975}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 15 and name HE% )
3.600 2.100 2.100 peak 975 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 8.540 ppm2 6.744 CV 1
OR { 975}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 15 and name HE% )
ASSI { 984}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 58 and name HE% )
4.600 3.200 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.25060E-03 ppm1 9.103 ppm2 7.200 CV 1
OR { 984}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 42 and name HN ))
ASSI { 994}
( segid " " and resid 33 and name HG1%)
( segid " " and resid 18 and name HE% )
2.400 1.200 1.200 peak 994 spectrum 1 weight 0.10000E+01 volume 0.60378E-02 ppm1 0.827 ppm2 6.594 CV 1
OR { 994}
( segid " " and resid 59 and name HD2%)
( segid " " and resid 18 and name HE% )
ASSI { 995}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 18 and name HE% )
3.000 1.600 1.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.25792E-02 ppm1 0.995 ppm2 6.595 CV 1
OR { 995}
(( segid " " and resid 61 and name HG13))
( segid " " and resid 18 and name HE% )
ASSI { 997}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 18 and name HE% )
3.800 2.300 2.200 peak 997 spectrum 1 weight 0.10000E+01 volume 0.13746E-02 ppm1 1.437 ppm2 6.595 CV 1
OR { 997}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 18 and name HE% )
OR { 997}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 18 and name HE% )
OR { 997}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 18 and name HE% )
ASSI { 1001}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 18 and name HE% )
5.300 4.000 0.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.16706E-03 ppm1 2.458 ppm2 6.592 CV 1
OR { 1001}
(( segid " " and resid 49 and name HB2 ))
( segid " " and resid 18 and name HE% )
ASSI { 1006}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 18 and name HE% )
4.000 2.500 2.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.80894E-03 ppm1 4.568 ppm2 6.594 CV 1
OR { 1006}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 18 and name HE% )
ASSI { 1019}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 45 and name HN ))
4.100 2.600 1.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.82801E-03 ppm1 5.256 ppm2 9.122 CV 1
OR { 1019}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 19 and name HN ))
ASSI { 1025}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HN ))
4.600 3.100 1.400 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.16853E-03 ppm1 1.406 ppm2 9.106 CV 1
OR { 1025}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 19 and name HN ))
OR { 1025}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 45 and name HN ))
OR { 1025}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 46 and name HN ))
OR { 1025}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 46 and name HN ))
OR { 1025}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 46 and name HN ))
ASSI { 1026}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 19 and name HN ))
3.200 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.32680E-02 ppm1 1.010 ppm2 9.127 CV 1
OR { 1026}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 37 and name HN ))
OR { 1026}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 19 and name HN ))
ASSI { 1032}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
3.300 1.900 1.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.17000E-02 ppm1 8.554 ppm2 8.181 CV 1
OR { 1032}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
ASSI { 1037}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 42 and name HN ))
4.000 2.500 2.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.64041E-03 ppm1 4.830 ppm2 7.205 CV 1
OR { 1037}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 58 and name HE% )
OR { 1037}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 42 and name HN ))
ASSI { 1052}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 59 and name HN ))
5.100 3.800 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.12090E-03 ppm1 5.695 ppm2 8.950 CV 1
OR { 1052}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 61 and name HN ))
ASSI { 1053}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 47 and name HN ))
4.400 2.900 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.14494E-03 ppm1 0.682 ppm2 9.616 CV 1
OR { 1053}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 47 and name HN ))
OR { 1053}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 47 and name HN ))
ASSI { 1054}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 47 and name HN ))
5.300 4.000 0.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.64188E-04 ppm1 0.820 ppm2 9.614 CV 1
OR { 1054}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 47 and name HN ))
ASSI { 1064}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 29 and name HN ))
5.000 3.700 1.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.11416E-03 ppm1 2.468 ppm2 8.956 CV 1
OR { 1064}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 29 and name HN ))
OR { 1064}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 61 and name HN ))
OR { 1064}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 29 and name HN ))
OR { 1064}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 29 and name HN ))
OR { 1064}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 1079}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 18 and name HD% )
5.300 4.000 0.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.17732E-03 ppm1 4.573 ppm2 6.800 CV 1
OR { 1079}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 18 and name HD% )
ASSI { 1081}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 55 and name HN ))
5.100 3.800 0.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.17586E-03 ppm1 0.926 ppm2 8.499 CV 1
OR { 1081}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 39 and name HN ))
OR { 1081}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 55 and name HN ))
OR { 1081}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 39 and name HN ))
ASSI { 1082}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 64 and name HN ))
6.000 5.500 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.45577E-04 ppm1 0.698 ppm2 8.412 CV 1
OR { 1082}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 49 and name HN ))
ASSI { 1083}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 9 and name HN ))
4.200 2.700 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.17586E-03 ppm1 0.824 ppm2 7.647 CV 1
OR { 1083}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 9 and name HN ))
ASSI { 1084}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 64 and name HN ))
4.600 3.100 1.400 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.11651E-03 ppm1 0.768 ppm2 8.411 CV 1
OR { 1084}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 32 and name HN ))
OR { 1084}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 32 and name HN ))
OR { 1084}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 64 and name HN ))
OR { 1084}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 49 and name HN ))
ASSI { 1087}
( segid " " and resid 58 and name HE% )
(( segid " " and resid 21 and name HN ))
4.600 3.100 1.400 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.12720E-03 ppm1 7.209 ppm2 9.104 CV 1
OR { 1087}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 45 and name HN ))
ASSI { 1091}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 40 and name HN ))
5.000 3.600 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.25792E-03 ppm1 3.892 ppm2 9.055 CV 1
OR { 1091}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 40 and name HN ))
ASSI { 1103}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HB2 ))
3.900 2.400 2.100 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 4.196 ppm2 2.726 CV 1
OR { 1103}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 1104}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HA ))
3.700 2.200 2.200 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 3.996 ppm2 3.433 CV 1
OR { 1104}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 36 and name HA ))
ASSI { 1106}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 48 and name HA ))
3.700 2.200 2.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 4.579 ppm2 4.172 CV 1
OR { 1106}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HA ))
ASSI { 1114}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 18 and name HB2 ))
4.600 3.200 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.33999E-03 ppm1 5.445 ppm2 2.622 CV 1
OR { 1114}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 1117}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 46 and name HB2 ))
4.600 3.100 1.400 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.49973E-03 ppm1 5.262 ppm2 2.799 CV 1
OR { 1117}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 1118}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HB3 ))
4.300 2.800 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.71518E-03 ppm1 5.564 ppm2 3.061 CV 1
OR { 1118}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 10 and name HB3 ))
ASSI { 1120}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HB2 ))
4.900 3.500 1.100 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.21982E-03 ppm1 5.564 ppm2 2.613 CV 1
OR { 1120}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 1122}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 46 and name HB2 ))
3.800 2.400 2.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.74593E-03 ppm1 4.949 ppm2 2.793 CV 1
OR { 1122}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 1125}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HG3 ))
4.600 3.200 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.34585E-03 ppm1 4.487 ppm2 2.468 CV 1
OR { 1125}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HG2 ))
OR { 1125}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 1128}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 53 and name HB2 ))
4.600 3.200 1.400 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.51878E-03 ppm1 4.199 ppm2 2.802 CV 1
OR { 1128}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HB3 ))
ASSI { 1133}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.800 2.300 2.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.16413E-02 ppm1 3.472 ppm2 2.812 CV 1
OR { 1133}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HA1 ))
ASSI { 1138}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 32 and name HB ))
3.300 1.900 1.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 2.805 ppm2 2.233 CV 1
OR { 1138}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 17 and name HG2 ))
OR { 1138}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 32 and name HB ))
OR { 1138}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 32 and name HB ))
OR { 1138}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 1139}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 15 and name HB2 ))
3.600 2.100 2.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.41473E-03 ppm1 3.709 ppm2 2.468 CV 1
OR { 1139}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
OR { 1139}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
OR { 1139}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
OR { 1139}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 1140}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 23 and name HB2 ))
3.400 2.000 2.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 3.876 ppm2 1.896 CV 1
OR { 1140}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
OR { 1140}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HB2 ))
OR { 1140}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 1141}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HB ))
4.100 2.600 1.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.83388E-03 ppm1 3.995 ppm2 1.802 CV 1
OR { 1141}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 36 and name HB ))
OR { 1141}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 1142}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
4.200 2.700 1.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.44111E-03 ppm1 3.879 ppm2 2.468 CV 1
OR { 1142}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
OR { 1142}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
OR { 1142}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 21 and name HG2 ))
OR { 1142}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
OR { 1142}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 1143}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 21 and name HG2 ))
3.400 1.900 1.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.61697E-03 ppm1 3.446 ppm2 2.468 CV 1
OR { 1143}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 21 and name HG3 ))
OR { 1143}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 1147}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 48 and name HB2 ))
3.500 2.000 2.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 4.574 ppm2 1.075 CV 1
OR { 1147}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 1148}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 33 and name HG1%)
3.700 2.300 2.300 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.14215E-02 ppm1 4.948 ppm2 0.827 CV 1
OR { 1148}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 59 and name HD2%)
ASSI { 1153}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG13))
3.300 1.900 1.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.24181E-02 ppm1 3.900 ppm2 1.461 CV 1
OR { 1153}
(( segid " " and resid 26 and name HB3 ))
( segid " " and resid 27 and name HB% )
ASSI { 1156}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 29 and name HD2%)
3.300 1.900 1.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 3.701 ppm2 0.771 CV 1
OR { 1156}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 60 and name HG2%)
ASSI { 1157}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 29 and name HD2%)
3.600 2.100 2.100 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.19637E-02 ppm1 3.619 ppm2 0.770 CV 1
OR { 1157}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 60 and name HG2%)
ASSI { 1158}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 59 and name HD1%)
4.100 2.600 1.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.70342E-03 ppm1 4.952 ppm2 0.788 CV 1
OR { 1158}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 60 and name HG2%)
ASSI { 1162}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HB ))
3.800 2.300 2.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 3.143 ppm2 1.406 CV 1
OR { 1162}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 1163}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HB ))
2.800 1.500 1.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.37076E-02 ppm1 2.452 ppm2 1.406 CV 1
OR { 1163}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 61 and name HB ))
OR { 1163}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HG3 ))
OR { 1163}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 1165}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 60 and name HG2%)
3.000 1.600 1.600 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.11739E-02 ppm1 4.196 ppm2 0.773 CV 1
OR { 1165}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 29 and name HD2%)
OR { 1165}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 59 and name HD1%)
ASSI { 1167}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 61 and name HG12))
4.300 2.800 1.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.54662E-03 ppm1 2.620 ppm2 0.601 CV 1
OR { 1167}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 61 and name HG12))
OR { 1167}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 61 and name HG12))
ASSI { 1169}
( segid " " and resid 9 and name HG2%)
( segid " " and resid 5 and name HD1%)
3.300 1.900 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.21835E-02 ppm1 1.269 ppm2 0.707 CV 1
OR { 1169}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 61 and name HG2%)
ASSI { 1176}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 5 and name HD1%)
3.400 1.900 1.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.19198E-02 ppm1 3.988 ppm2 0.707 CV 1
OR { 1176}
(( segid " " and resid 6 and name HA1 ))
( segid " " and resid 5 and name HD1%)
OR { 1176}
(( segid " " and resid 9 and name HB ))
( segid " " and resid 5 and name HD1%)
ASSI { 1178}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 36 and name HD1%)
3.500 2.000 2.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.15241E-02 ppm1 3.995 ppm2 0.823 CV 1
OR { 1178}
(( segid " " and resid 6 and name HA1 ))
( segid " " and resid 36 and name HD1%)
OR { 1178}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 44 and name HG1%)
ASSI { 1179}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 44 and name HG2%)
2.600 1.300 1.300 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.84707E-02 ppm1 2.630 ppm2 0.903 CV 1
OR { 1179}
(( segid " " and resid 49 and name HB3 ))
( segid " " and resid 51 and name HG2%)
ASSI { 1182}
(( segid " " and resid 65 and name HB3 ))
( segid " " and resid 61 and name HG2%)
3.900 2.400 2.100 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.10024E-02 ppm1 3.275 ppm2 0.692 CV 1
OR { 1182}
(( segid " " and resid 65 and name HB3 ))
( segid " " and resid 67 and name HG1%)
ASSI { 1187}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 44 and name HG1%)
4.000 2.500 2.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.81625E-03 ppm1 2.628 ppm2 0.836 CV 1
OR { 1187}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 33 and name HG1%)
OR { 1187}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 67 and name HG2%)
OR { 1187}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 44 and name HG1%)
ASSI { 1188}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 12 and name HG2%)
4.000 2.500 2.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.94227E-03 ppm1 3.132 ppm2 0.910 CV 1
OR { 1188}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 44 and name HG2%)
ASSI { 1191}
(( segid " " and resid 34 and name HA1 ))
( segid " " and resid 33 and name HG2%)
3.100 1.700 1.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.29310E-02 ppm1 2.807 ppm2 1.005 CV 1
OR { 1191}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 32 and name HG1%)
OR { 1191}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 33 and name HG2%)
OR { 1191}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 32 and name HG1%)
ASSI { 1192}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 32 and name HG1%)
2.900 1.600 1.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.64481E-02 ppm1 3.111 ppm2 1.005 CV 1
OR { 1192}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 33 and name HG2%)
ASSI { 1193}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 32 and name HG1%)
5.100 3.800 0.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.21250E-03 ppm1 5.443 ppm2 1.005 CV 1
OR { 1193}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 33 and name HG2%)
ASSI { 1194}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 32 and name HG1%)
4.200 2.700 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.77668E-03 ppm1 5.697 ppm2 1.007 CV 1
OR { 1194}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 32 and name HG1%)
ASSI { 1201}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 47 and name HA ))
3.600 2.100 2.100 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.60964E-03 ppm1 0.681 ppm2 5.755 CV 1
OR { 1201}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 47 and name HA ))
ASSI { 1207}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 66 and name HA ))
4.100 2.600 1.900 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.72393E-03 ppm1 0.670 ppm2 5.674 CV 1
OR { 1207}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 66 and name HA ))
ASSI { 1209}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 47 and name HA ))
4.000 2.500 2.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.98184E-03 ppm1 2.926 ppm2 5.753 CV 1
OR { 1209}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 47 and name HA ))
ASSI { 1215}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 31 and name HA ))
5.500 4.300 0.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.14948E-03 ppm1 4.943 ppm2 5.691 CV 1
OR { 1215}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HA ))
ASSI { 1221}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 17 and name HB2 ))
3.000 1.600 1.600 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 2.818 ppm2 1.676 CV 1
OR { 1221}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 16 and name HB2 ))
OR { 1221}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 1223}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 63 and name HB% )
3.900 2.400 2.100 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.11489E-02 ppm1 4.640 ppm2 1.389 CV 1
OR { 1223}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 64 and name HB% )
ASSI { 1227}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HB3 ))
6.000 5.000 0.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.618 ppm2 1.449 CV 1
OR { 1227}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 61 and name HB ))
OR { 1227}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 61 and name HB ))
OR { 1227}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 61 and name HB ))
OR { 1227}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 48 and name HB3 ))
OR { 1227}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HG3 ))
OR { 1227}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HG2 ))
OR { 1227}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 61 and name HB ))
ASSI { 1231}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 61 and name HD1%)
2.700 1.400 1.400 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.61257E-02 ppm1 2.614 ppm2 -0.016 CV 1
OR { 1231}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 61 and name HD1%)
OR { 1231}
(( segid " " and resid 49 and name HB3 ))
( segid " " and resid 61 and name HD1%)
ASSI { 1235}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HG12))
4.600 3.200 1.400 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.38102E-03 ppm1 4.694 ppm2 1.075 CV 1
OR { 1235}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 5 and name HG12))
ASSI { 1238}
(( segid " " and resid 55 and name HA1 ))
( segid " " and resid 59 and name HD2%)
3.900 2.400 2.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.69174E-03 ppm1 3.903 ppm2 0.833 CV 1
OR { 1238}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 44 and name HG1%)
OR { 1238}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 36 and name HD1%)
OR { 1238}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 59 and name HD2%)
OR { 1238}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 59 and name HD2%)
ASSI { 1239}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 9 and name HG2%)
4.300 2.800 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.46602E-03 ppm1 3.899 ppm2 1.270 CV 1
OR { 1239}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 1240}
(( segid " " and resid 55 and name HA1 ))
( segid " " and resid 54 and name HG2%)
3.100 1.700 1.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 3.908 ppm2 1.209 CV 1
OR { 1240}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 3 and name HG2%)
OR { 1240}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 3 and name HG2%)
ASSI { 1244}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HB2 ))
5.400 4.100 0.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.17439E-03 ppm1 2.615 ppm2 1.079 CV 1
OR { 1244}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 1262}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 36 and name HA ))
5.400 4.200 0.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.10845E-03 ppm1 3.899 ppm2 3.433 CV 1
OR { 1262}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 36 and name HA ))
OR { 1262}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 36 and name HA ))
ASSI { 1268}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 37 and name HN ))
4.100 2.600 1.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.67852E-03 ppm1 0.680 ppm2 9.120 CV 1
OR { 1268}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 45 and name HN ))
ASSI { 1270}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 31 and name HN ))
5.000 3.600 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.21250E-03 ppm1 0.775 ppm2 9.185 CV 1
OR { 1270}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 31 and name HN ))
ASSI { 1271}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 65 and name HD21))
5.300 4.000 0.700 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.16560E-03 ppm1 2.604 ppm2 7.562 CV 1
OR { 1271}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 65 and name HD21))
ASSI { 1274}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 65 and name HD21))
6.000 5.000 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 7.562 CV 1
OR { 1274}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 65 and name HD21))
OR { 1274}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 65 and name HD21))
ASSI { 1275}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 65 and name HD22))
6.000 6.000 0.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.40008E-04 ppm1 1.445 ppm2 7.041 CV 1
OR { 1275}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 65 and name HD22))
OR { 1275}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 65 and name HD22))
ASSI { 1279}
( segid " " and resid 60 and name HG2%)
( segid " " and resid 58 and name HD% )
5.000 3.600 1.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.12324E-03 ppm1 0.786 ppm2 7.103 CV 1
OR { 1279}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 58 and name HD% )
ASSI { 1280}
( segid " " and resid 60 and name HG2%)
( segid " " and resid 58 and name HE% )
4.200 2.700 1.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.16413E-03 ppm1 0.783 ppm2 7.201 CV 1
OR { 1280}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 58 and name HE% )
ASSI { 1286}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 3 and name HN ))
6.000 5.000 0.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.782 ppm2 8.212 CV 1
OR { 1286}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 38 and name HN ))
ASSI { 1294}
(( segid " " and resid 34 and name HA1 ))
( segid " " and resid 5 and name HG2%)
3.100 1.700 1.700 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.37223E-02 ppm1 2.808 ppm2 0.676 CV 1
OR { 1294}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 61 and name HG2%)
OR { 1294}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 67 and name HG1%)
ASSI { 1295}
(( segid " " and resid 66 and name HB3 ))
( segid " " and resid 67 and name HG1%)
3.500 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.12178E-02 ppm1 3.007 ppm2 0.676 CV 1
OR { 1295}
(( segid " " and resid 66 and name HB3 ))
( segid " " and resid 61 and name HG2%)
ASSI { 1299}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.885 ppm2 8.730 CV 1
OR { 1299}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 62 and name HN ))
ASSI { 1301}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 52 and name HG2%)
3.400 1.900 1.900 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 4.851 ppm2 1.212 CV 1
OR { 1301}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 54 and name HG2%)
ASSI { 1303}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HG13))
6.000 5.000 0.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.672 ppm2 1.461 CV 1
OR { 1303}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 27 and name HB% )
ASSI { 1305}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.896 ppm2 8.948 CV 1
OR { 1305}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 29 and name HN ))
OR { 1305}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 29 and name HN ))
OR { 1305}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 1315}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 65 and name HB3 ))
5.400 4.200 0.600 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.22275E-03 ppm1 5.757 ppm2 3.278 CV 1
OR { 1315}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HE3 ))
ASSI { 1329}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.700 ppm2 8.739 CV 1
OR { 1329}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 30 and name HN ))
OR { 1329}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 33 and name HN ))
ASSI { 1330}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.720 ppm2 8.738 CV 1
OR { 1330}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 33 and name HN ))
ASSI { 1345}
(( segid " " and resid 48 and name HE3 ))
( segid " " and resid 15 and name HE% )
6.000 5.000 0.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.277 ppm2 6.745 CV 1
OR { 1345}
(( segid " " and resid 65 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 1352}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 47 and name HN ))
5.100 3.800 0.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.10698E-03 ppm1 1.445 ppm2 9.617 CV 1
OR { 1352}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 47 and name HN ))
OR { 1352}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 47 and name HN ))
OR { 1352}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 47 and name HN ))
ASSI { 1373}
(( segid " " and resid 45 and name HE2 ))
( segid " " and resid 29 and name HD1%)
3.000 1.600 1.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 2.929 ppm2 0.733 CV 1
OR { 1373}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 29 and name HD1%)
OR { 1373}
(( segid " " and resid 45 and name HE3 ))
( segid " " and resid 29 and name HD1%)
ASSI { 1374}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 29 and name HD2%)
3.000 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 2.930 ppm2 0.768 CV 1
OR { 1374}
(( segid " " and resid 45 and name HE2 ))
( segid " " and resid 29 and name HD2%)
OR { 1374}
(( segid " " and resid 45 and name HE3 ))
( segid " " and resid 29 and name HD2%)
ASSI { 1376}
(( segid " " and resid 34 and name HA1 ))
( segid " " and resid 33 and name HG1%)
3.900 2.400 2.100 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.59645E-03 ppm1 2.803 ppm2 0.821 CV 1
OR { 1376}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 44 and name HG1%)
OR { 1376}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 33 and name HG1%)
OR { 1376}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 67 and name HG2%)
OR { 1376}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 33 and name HG1%)
OR { 1376}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 44 and name HG1%)
ASSI { 1378}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 44 and name HG2%)
3.900 2.400 2.100 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.57007E-03 ppm1 2.809 ppm2 0.906 CV 1
OR { 1378}
(( segid " " and resid 34 and name HA1 ))
( segid " " and resid 44 and name HG2%)
OR { 1378}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 44 and name HG2%)
ASSI { 1380}
(( segid " " and resid 17 and name HD2 ))
( segid " " and resid 5 and name HD1%)
6.000 5.000 0.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.617 ppm2 0.710 CV 1
OR { 1380}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 61 and name HG2%)
ASSI { 1381}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 35 and name HG2%)
4.200 2.700 1.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.28723E-03 ppm1 3.876 ppm2 0.933 CV 1
OR { 1381}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 35 and name HG1%)
OR { 1381}
(( segid " " and resid 55 and name HA1 ))
( segid " " and resid 51 and name HG1%)
OR { 1381}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 35 and name HG2%)
OR { 1381}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 35 and name HG1%)
ASSI { 1383}
(( segid " " and resid 6 and name HA1 ))
( segid " " and resid 36 and name HG2%)
6.000 5.000 0.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.007 ppm2 0.870 CV 1
OR { 1383}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 36 and name HG2%)
ASSI { 1385}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 60 and name HD1%)
4.500 3.000 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.42792E-03 ppm1 2.980 ppm2 0.824 CV 1
OR { 1385}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 60 and name HD1%)
OR { 1385}
(( segid " " and resid 58 and name HB2 ))
( segid " " and resid 59 and name HD2%)
OR { 1385}
(( segid " " and resid 58 and name HB3 ))
( segid " " and resid 59 and name HD2%)
ASSI { 1389}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 51 and name HG1%)
6.000 5.000 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.562 ppm2 0.921 CV 1
OR { 1389}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 12 and name HG2%)
OR { 1389}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 51 and name HG2%)
ASSI { 1390}
(( segid " " and resid 34 and name HA2 ))
( segid " " and resid 33 and name HG2%)
6.000 5.000 0.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.081 ppm2 1.004 CV 1
OR { 1390}
(( segid " " and resid 34 and name HA2 ))
( segid " " and resid 4 and name HG2%)
ASSI { 1393}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 8.739 CV 1
OR { 1393}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 62 and name HN ))
OR { 1393}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 62 and name HN ))
ASSI { 1394}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 61 and name HG2%)
2.900 1.500 1.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.50706E-02 ppm1 2.612 ppm2 0.689 CV 1
OR { 1394}
(( segid " " and resid 49 and name HB3 ))
( segid " " and resid 61 and name HG2%)
OR { 1394}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 5 and name HG2%)
OR { 1394}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 61 and name HG2%)
OR { 1394}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 67 and name HG1%)
ASSI { 1405}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 60 and name HG2%)
4.400 2.900 1.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.33120E-03 ppm1 4.622 ppm2 0.770 CV 1
OR { 1405}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 29 and name HD2%)
OR { 1405}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 59 and name HD1%)
ASSI { 1406}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 29 and name HD2%)
4.600 3.100 1.400 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.22862E-03 ppm1 2.460 ppm2 0.772 CV 1
OR { 1406}
(( segid " " and resid 21 and name HG3 ))
( segid " " and resid 29 and name HD2%)
OR { 1406}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 29 and name HD2%)
OR { 1406}
(( segid " " and resid 23 and name HG3 ))
( segid " " and resid 29 and name HD2%)
OR { 1406}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 60 and name HG2%)
ASSI { 1414}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 15 and name HE% )
6.000 5.000 0.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.796 ppm2 6.746 CV 1
OR { 1414}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 15 and name HE% )
ASSI { 1415}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 15 and name HE% )
6.000 5.000 0.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.927 ppm2 6.743 CV 1
OR { 1415}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 15 and name HE% )
OR { 1415}
(( segid " " and resid 46 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 1418}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.463 ppm2 8.630 CV 1
OR { 1418}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 8 and name HN ))
OR { 1418}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 10 and name HN ))
ASSI { 1422}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.201 ppm2 8.898 CV 1
OR { 1422}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 6 and name HN ))
ASSI { 1432}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 61 and name HG2%)
3.500 2.100 2.100 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 2.930 ppm2 0.671 CV 1
OR { 1432}
(( segid " " and resid 46 and name HB3 ))
( segid " " and resid 67 and name HG1%)
OR { 1432}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 67 and name HG1%)
ASSI { 1434}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 67 and name HG1%)
6.000 5.000 0.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.133 ppm2 0.670 CV 1
OR { 1434}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 5 and name HG2%)
ASSI { 1435}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 60 and name HD1%)
4.400 2.900 1.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.40154E-03 ppm1 4.615 ppm2 0.847 CV 1
OR { 1435}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 59 and name HD2%)
ASSI { 1436}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 5 and name HG2%)
6.000 5.000 0.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.714 ppm2 0.691 CV 1
OR { 1436}
(( segid " " and resid 6 and name HA2 ))
( segid " " and resid 5 and name HD1%)
OR { 1436}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 5 and name HD1%)
OR { 1436}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 5 and name HD1%)
ASSI { 1437}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 32 and name HG2%)
6.000 5.000 0.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.840 ppm2 1.113 CV 1
OR { 1437}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 32 and name HG2%)
OR { 1437}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 32 and name HG2%)
ASSI { 1439}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 29 and name HD2%)
3.800 2.300 2.200 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.56421E-03 ppm1 2.045 ppm2 0.776 CV 1
OR { 1439}
( segid " " and resid 23 and name HE% )
( segid " " and resid 60 and name HG2%)
OR { 1439}
( segid " " and resid 23 and name HE% )
( segid " " and resid 29 and name HD2%)
ASSI { 1443}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 17 and name HG2 ))
6.000 5.000 0.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.987 ppm2 2.227 CV 1
OR { 1443}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 17 and name HG3 ))
OR { 1443}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HG2 ))
ASSI { 1446}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 66 and name HB2 ))
3.300 1.900 1.900 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.64041E-03 ppm1 4.101 ppm2 2.930 CV 1
OR { 1446}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 66 and name HB2 ))
OR { 1446}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 46 and name HB3 ))
OR { 1446}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 45 and name HE2 ))
ASSI { 1448}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 5 and name HA ))
6.000 5.000 0.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.713 ppm2 3.879 CV 1
OR { 1448}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HA ))
OR { 1448}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HB2 ))
OR { 1448}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HB3 ))
ASSI { 1450}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 29 and name HD2%)
6.000 5.000 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.623 ppm2 0.783 CV 1
OR { 1450}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 59 and name HD1%)
OR { 1450}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 29 and name HD2%)
OR { 1450}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 60 and name HG2%)
OR { 1450}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 59 and name HD1%)
OR { 1450}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 29 and name HD2%)
OR { 1450}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 60 and name HG2%)
ASSI { 1454}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 44 and name HG1%)
6.000 5.000 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.257 ppm2 0.827 CV 1
OR { 1454}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 33 and name HG1%)
ASSI { 1456}
(( segid " " and resid 46 and name HB3 ))
( segid " " and resid 67 and name HG2%)
6.000 5.000 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.928 ppm2 0.816 CV 1
OR { 1456}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 67 and name HG2%)
ASSI { 433}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
6.000 5.000 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.172 ppm2 8.954 CV 1
OR { 433}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HN ))
Contact the webmaster for help, if required. Thursday, May 23, 2024 3:13:26 AM GMT (wattos1)