NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14394 |
1wmv   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!unambiguous
ASSI { 3}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
2.700 .900 .900 peak 3 spectrum 1 weight .10000E+01 volume .22062E-02 ppm1 2.677 ppm2 8.177 CV 1
ASSI { 4}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.600 .900 .900 peak 4 spectrum 1 weight .10000E+01 volume .25050E-02 ppm1 2.677 ppm2 8.480 CV 1
ASSI { 5}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
2.500 .800 .800 peak 5 spectrum 1 weight .10000E+01 volume .33811E-02 ppm1 2.544 ppm2 8.177 CV 1
ASSI { 6}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 6 spectrum 1 weight .10000E+01 volume .15883E-02 ppm1 2.544 ppm2 8.479 CV 1
ASSI { 7}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 7 spectrum 1 weight .10000E+01 volume .95305E-03 ppm1 8.179 ppm2 8.485 CV 1
ASSI { 8}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 8 spectrum 1 weight .10000E+01 volume .15948E-02 ppm1 4.178 ppm2 8.480 CV 1
ASSI { 9}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HD1%)
2.100 .500 .500 peak 9 spectrum 1 weight .10000E+01 volume .10173E-01 ppm1 1.730 ppm2 1.021 CV 1
ASSI { 10}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HD2%)
2.200 .600 .600 peak 10 spectrum 1 weight .10000E+01 volume .72910E-02 ppm1 1.730 ppm2 .707 CV 1
ASSI { 11}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.200 .600 .600 peak 11 spectrum 1 weight .10000E+01 volume .74408E-02 ppm1 1.732 ppm2 8.480 CV 1
ASSI { 12}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HD1%)
2.500 .800 .800 peak 12 spectrum 1 weight .10000E+01 volume .37464E-02 ppm1 1.347 ppm2 1.023 CV 1
ASSI { 13}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HD2%)
2.500 .800 .800 peak 13 spectrum 1 weight .10000E+01 volume .34116E-02 ppm1 1.347 ppm2 .707 CV 1
ASSI { 14}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.700 .900 .900 peak 14 spectrum 1 weight .10000E+01 volume .20823E-02 ppm1 1.344 ppm2 8.480 CV 1
ASSI { 15}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 12 and name HD2%)
2.000 .500 .500 peak 15 spectrum 1 weight .10000E+01 volume .13174E-01 ppm1 1.021 ppm2 .707 CV 1
ASSI { 16}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HN ))
2.600 .900 .900 peak 16 spectrum 1 weight .10000E+01 volume .24548E-02 ppm1 1.020 ppm2 8.481 CV 1
ASSI { 17}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 16 and name HD1 ))
3.300 1.400 1.400 peak 17 spectrum 1 weight .10000E+01 volume .63228E-03 ppm1 1.021 ppm2 7.033 CV 1
ASSI { 18}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 16 and name HE3 ))
3.100 1.200 1.200 peak 18 spectrum 1 weight .10000E+01 volume .95841E-03 ppm1 1.021 ppm2 7.342 CV 1
ASSI { 19}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 19 spectrum 1 weight .10000E+01 volume .85526E-03 ppm1 1.023 ppm2 9.287 CV 1
ASSI { 20}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 18 and name HN ))
2.600 .800 .800 peak 20 spectrum 1 weight .10000E+01 volume .28774E-02 ppm1 1.023 ppm2 8.792 CV 1
ASSI { 21}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 28 and name HD% )
2.400 .700 .700 peak 21 spectrum 1 weight .10000E+01 volume .44635E-02 ppm1 1.020 ppm2 6.965 CV 1
ASSI { 22}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 28 and name HE% )
2.500 .800 .800 peak 22 spectrum 1 weight .10000E+01 volume .33452E-02 ppm1 1.020 ppm2 7.168 CV 1
ASSI { 23}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 12 and name HN ))
2.700 .900 .900 peak 23 spectrum 1 weight .10000E+01 volume .20902E-02 ppm1 .707 ppm2 8.478 CV 1
ASSI { 24}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 16 and name HD1 ))
3.100 1.200 1.200 peak 24 spectrum 1 weight .10000E+01 volume .85545E-03 ppm1 .707 ppm2 7.034 CV 1
ASSI { 25}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 16 and name HE3 ))
3.000 1.100 1.100 peak 25 spectrum 1 weight .10000E+01 volume .11605E-02 ppm1 .709 ppm2 7.342 CV 1
ASSI { 26}
( segid " " and resid 12 and name HD2%)
( segid " " and resid 28 and name HD% )
2.400 .700 .700 peak 26 spectrum 1 weight .10000E+01 volume .38682E-02 ppm1 .703 ppm2 6.965 CV 1
ASSI { 27}
( segid " " and resid 12 and name HD2%)
( segid " " and resid 28 and name HE% )
2.400 .700 .700 peak 27 spectrum 1 weight .10000E+01 volume .44186E-02 ppm1 .707 ppm2 7.168 CV 1
ASSI { 28}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.100 .500 .500 peak 28 spectrum 1 weight .10000E+01 volume .10493E-01 ppm1 4.433 ppm2 8.446 CV 1
ASSI { 29}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HD1 ))
2.800 1.000 1.000 peak 29 spectrum 1 weight .10000E+01 volume .15802E-02 ppm1 4.432 ppm2 7.035 CV 1
ASSI { 30}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.600 .900 .900 peak 30 spectrum 1 weight .10000E+01 volume .24138E-02 ppm1 2.343 ppm2 8.445 CV 1
ASSI { 31}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 16 and name HD1 ))
2.500 .800 .800 peak 31 spectrum 1 weight .10000E+01 volume .35539E-02 ppm1 2.342 ppm2 7.034 CV 1
ASSI { 32}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 16 and name HE1 ))
3.300 1.300 1.300 peak 32 spectrum 1 weight .10000E+01 volume .67115E-03 ppm1 2.343 ppm2 10.028 CV 1
ASSI { 33}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 33 spectrum 1 weight .10000E+01 volume .18559E-02 ppm1 1.902 ppm2 8.446 CV 1
ASSI { 34}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 16 and name HD1 ))
2.200 .600 .600 peak 34 spectrum 1 weight .10000E+01 volume .71705E-02 ppm1 1.910 ppm2 7.034 CV 1
ASSI { 35}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 16 and name HE1 ))
2.800 1.000 1.000 peak 35 spectrum 1 weight .10000E+01 volume .15754E-02 ppm1 1.907 ppm2 10.030 CV 1
ASSI { 36}
(( segid " " and resid 13 and name HD2 ))
( segid " " and resid 12 and name HD1%)
3.200 1.300 1.300 peak 36 spectrum 1 weight .10000E+01 volume .81388E-03 ppm1 3.333 ppm2 1.022 CV 1
ASSI { 37}
(( segid " " and resid 13 and name HD2 ))
( segid " " and resid 12 and name HD2%)
2.600 .800 .800 peak 37 spectrum 1 weight .10000E+01 volume .27522E-02 ppm1 3.327 ppm2 .705 CV 1
ASSI { 38}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 16 and name HD1 ))
3.000 1.100 1.100 peak 38 spectrum 1 weight .10000E+01 volume .11195E-02 ppm1 3.326 ppm2 7.034 CV 1
ASSI { 39}
(( segid " " and resid 13 and name HD3 ))
( segid " " and resid 12 and name HD1%)
3.100 1.200 1.200 peak 39 spectrum 1 weight .10000E+01 volume .91240E-03 ppm1 2.821 ppm2 1.021 CV 1
ASSI { 40}
(( segid " " and resid 13 and name HD3 ))
( segid " " and resid 12 and name HD2%)
2.600 .800 .800 peak 40 spectrum 1 weight .10000E+01 volume .26230E-02 ppm1 2.821 ppm2 .705 CV 1
ASSI { 41}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 16 and name HD1 ))
2.700 .900 .900 peak 41 spectrum 1 weight .10000E+01 volume .19345E-02 ppm1 2.822 ppm2 7.033 CV 1
ASSI { 42}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 16 and name HE1 ))
3.600 1.600 1.600 peak 42 spectrum 1 weight .10000E+01 volume .40665E-03 ppm1 2.823 ppm2 10.028 CV 1
ASSI { 43}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 16 and name HD1 ))
2.800 1.000 1.000 peak 43 spectrum 1 weight .10000E+01 volume .15640E-02 ppm1 1.632 ppm2 7.034 CV 1
ASSI { 44}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 16 and name HE1 ))
3.400 1.500 1.500 peak 44 spectrum 1 weight .10000E+01 volume .52403E-03 ppm1 1.637 ppm2 10.030 CV 1
ASSI { 45}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 16 and name HD1 ))
2.500 .800 .800 peak 45 spectrum 1 weight .10000E+01 volume .32454E-02 ppm1 1.388 ppm2 7.034 CV 1
ASSI { 46}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 16 and name HE1 ))
3.000 1.200 1.200 peak 46 spectrum 1 weight .10000E+01 volume .10363E-02 ppm1 1.387 ppm2 10.028 CV 1
ASSI { 49}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD% )
2.600 .900 .900 peak 49 spectrum 1 weight .10000E+01 volume .24802E-02 ppm1 4.267 ppm2 7.118 CV 1
ASSI { 50}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HE% )
3.300 1.400 1.400 peak 50 spectrum 1 weight .10000E+01 volume .64275E-03 ppm1 4.269 ppm2 6.809 CV 1
ASSI { 51}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.700 .900 .900 peak 51 spectrum 1 weight .10000E+01 volume .22762E-02 ppm1 4.267 ppm2 8.446 CV 1
ASSI { 52}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.400 .700 .700 peak 52 spectrum 1 weight .10000E+01 volume .46701E-02 ppm1 4.267 ppm2 8.327 CV 1
ASSI { 53}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HN ))
3.000 1.100 1.100 peak 53 spectrum 1 weight .10000E+01 volume .10990E-02 ppm1 4.266 ppm2 7.781 CV 1
ASSI { 54}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
2.200 .600 .600 peak 54 spectrum 1 weight .10000E+01 volume .79711E-02 ppm1 3.189 ppm2 2.807 CV 1
ASSI { 55}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD% )
2.300 .700 .700 peak 55 spectrum 1 weight .10000E+01 volume .53873E-02 ppm1 3.189 ppm2 7.118 CV 1
ASSI { 56}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HE% )
3.000 1.100 1.100 peak 56 spectrum 1 weight .10000E+01 volume .11891E-02 ppm1 3.189 ppm2 6.810 CV 1
ASSI { 57}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.300 .600 .600 peak 57 spectrum 1 weight .10000E+01 volume .61990E-02 ppm1 3.189 ppm2 8.446 CV 1
ASSI { 58}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.500 .800 .800 peak 58 spectrum 1 weight .10000E+01 volume .37214E-02 ppm1 3.189 ppm2 8.327 CV 1
ASSI { 59}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HD% )
2.300 .700 .700 peak 59 spectrum 1 weight .10000E+01 volume .57510E-02 ppm1 2.811 ppm2 7.118 CV 1
ASSI { 60}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HE% )
2.900 1.100 1.100 peak 60 spectrum 1 weight .10000E+01 volume .13624E-02 ppm1 2.811 ppm2 6.810 CV 1
ASSI { 61}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.300 .700 .700 peak 61 spectrum 1 weight .10000E+01 volume .55828E-02 ppm1 2.811 ppm2 8.446 CV 1
ASSI { 62}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 62 spectrum 1 weight .10000E+01 volume .10431E-02 ppm1 2.812 ppm2 8.327 CV 1
ASSI { 63}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 63 spectrum 1 weight .10000E+01 volume .18613E-02 ppm1 7.119 ppm2 8.446 CV 1
ASSI { 64}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 15 and name HN ))
2.800 1.000 1.000 peak 64 spectrum 1 weight .10000E+01 volume .16973E-02 ppm1 7.118 ppm2 8.327 CV 1
ASSI { 65}
( segid " " and resid 14 and name HE% )
( segid " " and resid 14 and name HD% )
1.800 .400 .400 peak 65 spectrum 1 weight .10000E+01 volume .21963E-01 ppm1 6.813 ppm2 7.118 CV 1
ASSI { 66}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 66 spectrum 1 weight .10000E+01 volume .63740E-03 ppm1 6.823 ppm2 8.323 CV 1
ASSI { 68}
(( segid " " and resid 15 and name HA1 ))
(( segid " " and resid 15 and name HN ))
2.700 .900 .900 peak 68 spectrum 1 weight .10000E+01 volume .20484E-02 ppm1 3.950 ppm2 8.325 CV 1
ASSI { 69}
(( segid " " and resid 15 and name HA1 ))
(( segid " " and resid 16 and name HD1 ))
3.300 1.300 1.300 peak 69 spectrum 1 weight .10000E+01 volume .68468E-03 ppm1 3.953 ppm2 7.034 CV 1
ASSI { 70}
(( segid " " and resid 15 and name HA1 ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 70 spectrum 1 weight .10000E+01 volume .87396E-03 ppm1 3.949 ppm2 7.780 CV 1
ASSI { 71}
(( segid " " and resid 15 and name HA1 ))
(( segid " " and resid 31 and name HN ))
3.500 1.500 1.500 peak 71 spectrum 1 weight .10000E+01 volume .46696E-03 ppm1 3.955 ppm2 8.623 CV 1
ASSI { 72}
(( segid " " and resid 15 and name HA1 ))
( segid " " and resid 32 and name HD1%)
2.700 .900 .900 peak 72 spectrum 1 weight .10000E+01 volume .21210E-02 ppm1 3.949 ppm2 .768 CV 1
ASSI { 73}
(( segid " " and resid 15 and name HA2 ))
(( segid " " and resid 15 and name HN ))
2.400 .700 .700 peak 73 spectrum 1 weight .10000E+01 volume .40269E-02 ppm1 3.199 ppm2 8.327 CV 1
ASSI { 74}
(( segid " " and resid 15 and name HA2 ))
(( segid " " and resid 16 and name HD1 ))
2.900 1.100 1.100 peak 74 spectrum 1 weight .10000E+01 volume .13585E-02 ppm1 3.207 ppm2 7.033 CV 1
ASSI { 75}
(( segid " " and resid 15 and name HA2 ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 75 spectrum 1 weight .10000E+01 volume .15357E-02 ppm1 3.203 ppm2 7.780 CV 1
ASSI { 76}
(( segid " " and resid 15 and name HA2 ))
( segid " " and resid 32 and name HD1%)
2.900 1.100 1.100 peak 76 spectrum 1 weight .10000E+01 volume .12690E-02 ppm1 3.203 ppm2 .767 CV 1
ASSI { 77}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
3.300 1.300 1.300 peak 77 spectrum 1 weight .10000E+01 volume .67519E-03 ppm1 8.325 ppm2 8.443 CV 1
ASSI { 80}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HD1 ))
3.100 1.200 1.200 peak 80 spectrum 1 weight .10000E+01 volume .85943E-03 ppm1 5.694 ppm2 7.033 CV 1
ASSI { 81}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HE3 ))
2.900 1.000 1.000 peak 81 spectrum 1 weight .10000E+01 volume .14020E-02 ppm1 5.693 ppm2 7.342 CV 1
ASSI { 82}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 82 spectrum 1 weight .10000E+01 volume .15105E-02 ppm1 5.700 ppm2 7.780 CV 1
ASSI { 83}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HB3 ))
3.400 1.500 1.500 peak 83 spectrum 1 weight .10000E+01 volume .52107E-03 ppm1 5.696 ppm2 1.881 CV 1
ASSI { 84}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HG2 ))
3.400 1.500 1.500 peak 84 spectrum 1 weight .10000E+01 volume .49609E-03 ppm1 5.701 ppm2 2.270 CV 1
OR { 84}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HG3 ))
ASSI { 85}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.400 .700 .700 peak 85 spectrum 1 weight .10000E+01 volume .44457E-02 ppm1 5.698 ppm2 9.287 CV 1
ASSI { 86}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 31 and name HD2 ))
3.200 1.300 1.300 peak 86 spectrum 1 weight .10000E+01 volume .78989E-03 ppm1 5.695 ppm2 6.934 CV 1
ASSI { 87}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 87 spectrum 1 weight .10000E+01 volume .11739E-02 ppm1 5.699 ppm2 8.625 CV 1
ASSI { 88}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 12 and name HD1%)
2.900 1.000 1.000 peak 88 spectrum 1 weight .10000E+01 volume .13960E-02 ppm1 3.243 ppm2 1.023 CV 1
ASSI { 89}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 12 and name HD2%)
3.000 1.100 1.100 peak 89 spectrum 1 weight .10000E+01 volume .11272E-02 ppm1 3.244 ppm2 .708 CV 1
ASSI { 90}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
6.000 4.500 .000 peak 90 spectrum 1 weight .10000E+01 volume .17937E-04 ppm1 3.246 ppm2 2.957 CV 1
ASSI { 91}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HD1 ))
2.500 .800 .800 peak 91 spectrum 1 weight .10000E+01 volume .30656E-02 ppm1 3.242 ppm2 7.034 CV 1
ASSI { 92}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HE3 ))
2.800 1.000 1.000 peak 92 spectrum 1 weight .10000E+01 volume .17389E-02 ppm1 3.244 ppm2 7.343 CV 1
ASSI { 93}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.500 .800 .800 peak 93 spectrum 1 weight .10000E+01 volume .31785E-02 ppm1 3.238 ppm2 7.780 CV 1
ASSI { 94}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 94 spectrum 1 weight .10000E+01 volume .74598E-03 ppm1 3.244 ppm2 9.286 CV 1
ASSI { 95}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 12 and name HD1%)
2.900 1.100 1.100 peak 95 spectrum 1 weight .10000E+01 volume .13814E-02 ppm1 2.954 ppm2 1.021 CV 1
ASSI { 96}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 12 and name HD2%)
3.000 1.100 1.100 peak 96 spectrum 1 weight .10000E+01 volume .11001E-02 ppm1 2.954 ppm2 .705 CV 1
ASSI { 97}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD1 ))
2.700 .900 .900 peak 97 spectrum 1 weight .10000E+01 volume .21441E-02 ppm1 2.956 ppm2 7.034 CV 1
ASSI { 98}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HE3 ))
2.600 .800 .800 peak 98 spectrum 1 weight .10000E+01 volume .27128E-02 ppm1 2.955 ppm2 7.343 CV 1
ASSI { 99}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.500 .800 .800 peak 99 spectrum 1 weight .10000E+01 volume .31761E-02 ppm1 2.951 ppm2 7.780 CV 1
ASSI { 100}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 100 spectrum 1 weight .10000E+01 volume .14326E-02 ppm1 2.954 ppm2 9.286 CV 1
ASSI { 101}
(( segid " " and resid 16 and name HD1 ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 101 spectrum 1 weight .10000E+01 volume .79145E-03 ppm1 7.034 ppm2 8.446 CV 1
ASSI { 102}
(( segid " " and resid 16 and name HD1 ))
(( segid " " and resid 16 and name HE1 ))
2.000 .500 .500 peak 102 spectrum 1 weight .10000E+01 volume .12095E-01 ppm1 7.034 ppm2 10.029 CV 1
ASSI { 103}
(( segid " " and resid 16 and name HD1 ))
(( segid " " and resid 16 and name HN ))
2.600 .800 .800 peak 103 spectrum 1 weight .10000E+01 volume .28240E-02 ppm1 7.034 ppm2 7.783 CV 1
ASSI { 104}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 104 spectrum 1 weight .10000E+01 volume .11528E-02 ppm1 7.343 ppm2 9.283 CV 1
ASSI { 105}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 105 spectrum 1 weight .10000E+01 volume .12091E-02 ppm1 7.343 ppm2 9.185 CV 1
ASSI { 106}
(( segid " " and resid 16 and name HH2 ))
(( segid " " and resid 16 and name HE1 ))
3.000 1.100 1.100 peak 106 spectrum 1 weight .10000E+01 volume .11881E-02 ppm1 6.979 ppm2 10.030 CV 1
ASSI { 107}
(( segid " " and resid 16 and name HH2 ))
(( segid " " and resid 16 and name HE3 ))
2.700 .900 .900 peak 107 spectrum 1 weight .10000E+01 volume .23693E-02 ppm1 6.975 ppm2 7.342 CV 1
ASSI { 108}
(( segid " " and resid 16 and name HH2 ))
(( segid " " and resid 16 and name HZ2 ))
2.100 .600 .600 peak 108 spectrum 1 weight .10000E+01 volume .90805E-02 ppm1 6.975 ppm2 7.391 CV 1
ASSI { 109}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
2.600 .900 .900 peak 109 spectrum 1 weight .10000E+01 volume .25319E-02 ppm1 7.780 ppm2 8.327 CV 1
ASSI { 110}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HE1 ))
3.300 1.400 1.400 peak 110 spectrum 1 weight .10000E+01 volume .63788E-03 ppm1 7.780 ppm2 10.030 CV 1
ASSI { 111}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 111 spectrum 1 weight .10000E+01 volume .59158E-03 ppm1 7.786 ppm2 9.283 CV 1
ASSI { 112}
(( segid " " and resid 16 and name HZ2 ))
(( segid " " and resid 16 and name HE1 ))
2.300 .600 .600 peak 112 spectrum 1 weight .10000E+01 volume .59611E-02 ppm1 7.391 ppm2 10.029 CV 1
ASSI { 113}
(( segid " " and resid 16 and name HZ3 ))
(( segid " " and resid 16 and name HE3 ))
2.300 .600 .600 peak 113 spectrum 1 weight .10000E+01 volume .62800E-02 ppm1 6.847 ppm2 7.342 CV 1
ASSI { 114}
(( segid " " and resid 16 and name HZ3 ))
(( segid " " and resid 16 and name HH2 ))
2.100 .600 .600 peak 114 spectrum 1 weight .10000E+01 volume .85794E-02 ppm1 6.845 ppm2 6.975 CV 1
ASSI { 115}
(( segid " " and resid 16 and name HZ3 ))
(( segid " " and resid 16 and name HZ2 ))
2.800 1.000 1.000 peak 115 spectrum 1 weight .10000E+01 volume .16703E-02 ppm1 6.847 ppm2 7.391 CV 1
ASSI { 116}
(( segid " " and resid 16 and name HZ3 ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 116 spectrum 1 weight .10000E+01 volume .71517E-03 ppm1 6.846 ppm2 8.293 CV 1
ASSI { 117}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 117 spectrum 1 weight .10000E+01 volume .58260E-03 ppm1 4.711 ppm2 9.286 CV 1
ASSI { 118}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.700 .900 .900 peak 118 spectrum 1 weight .10000E+01 volume .21258E-02 ppm1 4.710 ppm2 8.792 CV 1
ASSI { 119}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 119 spectrum 1 weight .10000E+01 volume .11495E-02 ppm1 2.098 ppm2 9.286 CV 1
ASSI { 120}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.700 .900 .900 peak 120 spectrum 1 weight .10000E+01 volume .20821E-02 ppm1 2.099 ppm2 8.792 CV 1
ASSI { 121}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 29 and name HG1%)
3.600 1.600 1.600 peak 121 spectrum 1 weight .10000E+01 volume .36558E-03 ppm1 2.092 ppm2 .671 CV 1
ASSI { 122}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 29 and name HG2%)
3.100 1.200 1.200 peak 122 spectrum 1 weight .10000E+01 volume .87538E-03 ppm1 2.091 ppm2 .348 CV 1
ASSI { 123}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 31 and name HD2 ))
2.900 1.100 1.100 peak 123 spectrum 1 weight .10000E+01 volume .12528E-02 ppm1 2.102 ppm2 6.933 CV 1
ASSI { 124}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 124 spectrum 1 weight .10000E+01 volume .17392E-02 ppm1 1.876 ppm2 9.286 CV 1
ASSI { 125}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
2.400 .700 .700 peak 125 spectrum 1 weight .10000E+01 volume .47333E-02 ppm1 1.876 ppm2 8.793 CV 1
ASSI { 126}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 29 and name HG1%)
2.400 .700 .700 peak 126 spectrum 1 weight .10000E+01 volume .42375E-02 ppm1 1.881 ppm2 .673 CV 1
ASSI { 127}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 29 and name HG2%)
2.600 .900 .900 peak 127 spectrum 1 weight .10000E+01 volume .24285E-02 ppm1 1.882 ppm2 .348 CV 1
ASSI { 128}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 31 and name HD2 ))
2.700 .900 .900 peak 128 spectrum 1 weight .10000E+01 volume .21009E-02 ppm1 1.877 ppm2 6.933 CV 1
ASSI { 129}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 129 spectrum 1 weight .10000E+01 volume .11980E-02 ppm1 2.255 ppm2 9.286 CV 1
OR { 129}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HN ))
ASSI { 130}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
2.700 .900 .900 peak 130 spectrum 1 weight .10000E+01 volume .20895E-02 ppm1 2.256 ppm2 8.792 CV 1
OR { 130}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 18 and name HN ))
ASSI { 131}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 29 and name HG1%)
3.200 1.300 1.300 peak 131 spectrum 1 weight .10000E+01 volume .75245E-03 ppm1 2.258 ppm2 .670 CV 1
OR { 131}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 29 and name HG1%)
ASSI { 132}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 29 and name HG2%)
3.100 1.200 1.200 peak 132 spectrum 1 weight .10000E+01 volume .90784E-03 ppm1 2.257 ppm2 .347 CV 1
OR { 132}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 29 and name HG2%)
ASSI { 133}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 31 and name HD2 ))
2.600 .800 .800 peak 133 spectrum 1 weight .10000E+01 volume .28089E-02 ppm1 2.256 ppm2 6.933 CV 1
OR { 133}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 31 and name HD2 ))
ASSI { 134}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
3.300 1.400 1.400 peak 134 spectrum 1 weight .10000E+01 volume .60540E-03 ppm1 4.778 ppm2 8.792 CV 1
ASSI { 135}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 28 and name HD% )
2.900 1.100 1.100 peak 135 spectrum 1 weight .10000E+01 volume .13284E-02 ppm1 4.787 ppm2 6.965 CV 1
ASSI { 136}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 28 and name HE% )
3.400 1.400 1.400 peak 136 spectrum 1 weight .10000E+01 volume .54555E-03 ppm1 4.788 ppm2 7.166 CV 1
ASSI { 137}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 12 and name HD1%)
2.400 .700 .700 peak 137 spectrum 1 weight .10000E+01 volume .38435E-02 ppm1 1.868 ppm2 1.024 CV 1
OR { 137}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 12 and name HD1%)
ASSI { 138}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 12 and name HD2%)
3.000 1.100 1.100 peak 138 spectrum 1 weight .10000E+01 volume .11759E-02 ppm1 1.869 ppm2 .703 CV 1
OR { 138}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 12 and name HD2%)
ASSI { 139}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HE21))
2.800 1.000 1.000 peak 139 spectrum 1 weight .10000E+01 volume .18134E-02 ppm1 1.856 ppm2 7.069 CV 1
OR { 139}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HE21))
ASSI { 140}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HE22))
3.200 1.300 1.300 peak 140 spectrum 1 weight .10000E+01 volume .72354E-03 ppm1 1.860 ppm2 6.768 CV 1
OR { 140}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HE22))
ASSI { 141}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.400 .700 .700 peak 141 spectrum 1 weight .10000E+01 volume .43948E-02 ppm1 1.855 ppm2 8.793 CV 1
OR { 141}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
ASSI { 142}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.600 .800 .800 peak 142 spectrum 1 weight .10000E+01 volume .26797E-02 ppm1 1.855 ppm2 8.416 CV 1
OR { 142}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 143}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 26 and name HG2%)
2.500 .800 .800 peak 143 spectrum 1 weight .10000E+01 volume .30710E-02 ppm1 1.856 ppm2 .570 CV 1
OR { 143}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 26 and name HG2%)
ASSI { 144}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 28 and name HD% )
2.600 .800 .800 peak 144 spectrum 1 weight .10000E+01 volume .27248E-02 ppm1 1.861 ppm2 6.964 CV 1
OR { 144}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 28 and name HD% )
ASSI { 145}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 28 and name HE% )
2.500 .800 .800 peak 145 spectrum 1 weight .10000E+01 volume .36490E-02 ppm1 1.860 ppm2 7.168 CV 1
OR { 145}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 28 and name HE% )
ASSI { 146}
(( segid " " and resid 18 and name HE22))
(( segid " " and resid 18 and name HE21))
1.700 .400 .500 peak 146 spectrum 1 weight .10000E+01 volume .36557E-01 ppm1 6.768 ppm2 7.068 CV 1
ASSI { 147}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HE21))
2.600 .900 .900 peak 147 spectrum 1 weight .10000E+01 volume .25282E-02 ppm1 2.000 ppm2 7.069 CV 1
OR { 147}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HE21))
ASSI { 148}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HE22))
2.900 1.100 1.100 peak 148 spectrum 1 weight .10000E+01 volume .12808E-02 ppm1 2.000 ppm2 6.767 CV 1
OR { 148}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HE22))
ASSI { 149}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HN ))
3.200 1.300 1.300 peak 149 spectrum 1 weight .10000E+01 volume .78547E-03 ppm1 1.997 ppm2 8.793 CV 1
OR { 149}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 150}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 19 and name HN ))
2.900 1.000 1.000 peak 150 spectrum 1 weight .10000E+01 volume .14720E-02 ppm1 2.000 ppm2 8.418 CV 1
OR { 150}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 19 and name HN ))
ASSI { 151}
(( segid " " and resid 18 and name HG2 ))
( segid " " and resid 26 and name HG2%)
2.700 .900 .900 peak 151 spectrum 1 weight .10000E+01 volume .19695E-02 ppm1 1.998 ppm2 .569 CV 1
OR { 151}
(( segid " " and resid 18 and name HG3 ))
( segid " " and resid 26 and name HG2%)
ASSI { 152}
(( segid " " and resid 18 and name HG2 ))
( segid " " and resid 28 and name HE% )
3.100 1.200 1.200 peak 152 spectrum 1 weight .10000E+01 volume .90452E-03 ppm1 1.998 ppm2 7.168 CV 1
OR { 152}
(( segid " " and resid 18 and name HG3 ))
( segid " " and resid 28 and name HE% )
ASSI { 153}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.700 .900 .900 peak 153 spectrum 1 weight .10000E+01 volume .23460E-02 ppm1 4.405 ppm2 8.416 CV 1
ASSI { 154}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.200 .600 .600 peak 154 spectrum 1 weight .10000E+01 volume .69908E-02 ppm1 4.406 ppm2 8.138 CV 1
ASSI { 155}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
2.300 .700 .700 peak 155 spectrum 1 weight .10000E+01 volume .52873E-02 ppm1 1.384 ppm2 .434 CV 1
ASSI { 156}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.600 .900 .900 peak 156 spectrum 1 weight .10000E+01 volume .25044E-02 ppm1 1.387 ppm2 8.418 CV 1
ASSI { 157}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.400 .700 .700 peak 157 spectrum 1 weight .10000E+01 volume .40082E-02 ppm1 1.388 ppm2 8.139 CV 1
ASSI { 159}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 27 and name HE% )
2.800 1.000 1.000 peak 159 spectrum 1 weight .10000E+01 volume .16153E-02 ppm1 1.387 ppm2 6.845 CV 1
ASSI { 160}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 27 and name HZ ))
2.900 1.100 1.100 peak 160 spectrum 1 weight .10000E+01 volume .13733E-02 ppm1 1.387 ppm2 7.083 CV 1
ASSI { 161}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 161 spectrum 1 weight .10000E+01 volume .15580E-02 ppm1 .431 ppm2 8.418 CV 1
ASSI { 162}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 162 spectrum 1 weight .10000E+01 volume .16958E-02 ppm1 .430 ppm2 8.139 CV 1
ASSI { 163}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 27 and name HD% )
3.200 1.300 1.300 peak 163 spectrum 1 weight .10000E+01 volume .70834E-03 ppm1 .438 ppm2 6.792 CV 1
ASSI { 164}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 27 and name HE% )
3.200 1.300 1.300 peak 164 spectrum 1 weight .10000E+01 volume .78276E-03 ppm1 .436 ppm2 6.848 CV 1
ASSI { 165}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 27 and name HZ ))
3.000 1.100 1.100 peak 165 spectrum 1 weight .10000E+01 volume .12250E-02 ppm1 .433 ppm2 7.083 CV 1
ASSI { 166}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 19 and name HN ))
2.500 .800 .800 peak 166 spectrum 1 weight .10000E+01 volume .33374E-02 ppm1 1.876 ppm2 8.416 CV 1
OR { 166}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 167}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 20 and name HN ))
2.700 .900 .900 peak 167 spectrum 1 weight .10000E+01 volume .20369E-02 ppm1 1.876 ppm2 8.138 CV 1
OR { 167}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 168}
(( segid " " and resid 19 and name HG2 ))
( segid " " and resid 27 and name HD% )
3.100 1.200 1.200 peak 168 spectrum 1 weight .10000E+01 volume .93836E-03 ppm1 1.882 ppm2 6.793 CV 1
OR { 168}
(( segid " " and resid 19 and name HG3 ))
( segid " " and resid 27 and name HD% )
ASSI { 170}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 27 and name HZ ))
2.800 1.000 1.000 peak 170 spectrum 1 weight .10000E+01 volume .18677E-02 ppm1 1.882 ppm2 7.080 CV 1
OR { 170}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 27 and name HZ ))
ASSI { 171}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 171 spectrum 1 weight .10000E+01 volume .28249E-02 ppm1 8.414 ppm2 8.530 CV 1
ASSI { 174}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.900 1.000 1.000 peak 174 spectrum 1 weight .10000E+01 volume .14458E-02 ppm1 4.952 ppm2 8.139 CV 1
ASSI { 175}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.200 .600 .600 peak 175 spectrum 1 weight .10000E+01 volume .69416E-02 ppm1 4.954 ppm2 9.185 CV 1
ASSI { 177}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 26 and name HG2%)
3.000 1.100 1.100 peak 177 spectrum 1 weight .10000E+01 volume .10821E-02 ppm1 4.953 ppm2 .570 CV 1
ASSI { 178}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 27 and name HD% )
2.900 1.100 1.100 peak 178 spectrum 1 weight .10000E+01 volume .12986E-02 ppm1 4.952 ppm2 6.789 CV 1
ASSI { 179}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 27 and name HE% )
3.400 1.400 1.400 peak 179 spectrum 1 weight .10000E+01 volume .54281E-03 ppm1 4.952 ppm2 6.847 CV 1
ASSI { 180}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 27 and name HN ))
2.500 .800 .800 peak 180 spectrum 1 weight .10000E+01 volume .30521E-02 ppm1 4.951 ppm2 8.529 CV 1
ASSI { 181}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HG2%)
2.200 .600 .600 peak 181 spectrum 1 weight .10000E+01 volume .70914E-02 ppm1 3.806 ppm2 1.122 CV 1
ASSI { 182}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HN ))
2.700 .900 .900 peak 182 spectrum 1 weight .10000E+01 volume .22176E-02 ppm1 3.803 ppm2 8.139 CV 1
ASSI { 183}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 21 and name HN ))
2.900 1.000 1.000 peak 183 spectrum 1 weight .10000E+01 volume .13877E-02 ppm1 3.807 ppm2 9.185 CV 1
ASSI { 184}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HN ))
2.700 .900 .900 peak 184 spectrum 1 weight .10000E+01 volume .21149E-02 ppm1 1.121 ppm2 8.139 CV 1
ASSI { 185}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 21 and name HN ))
2.400 .700 .700 peak 185 spectrum 1 weight .10000E+01 volume .41962E-02 ppm1 1.121 ppm2 9.187 CV 1
ASSI { 186}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 24 and name HN ))
2.600 .800 .800 peak 186 spectrum 1 weight .10000E+01 volume .27298E-02 ppm1 1.121 ppm2 8.179 CV 1
ASSI { 187}
( segid " " and resid 20 and name HG2%)
( segid " " and resid 26 and name HG2%)
3.100 1.200 1.200 peak 187 spectrum 1 weight .10000E+01 volume .97434E-03 ppm1 1.123 ppm2 .569 CV 1
ASSI { 188}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 26 and name HN ))
3.000 1.100 1.100 peak 188 spectrum 1 weight .10000E+01 volume .10820E-02 ppm1 1.120 ppm2 8.331 CV 1
ASSI { 189}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 27 and name HN ))
2.500 .800 .800 peak 189 spectrum 1 weight .10000E+01 volume .31216E-02 ppm1 1.121 ppm2 8.529 CV 1
ASSI { 190}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 27 and name HZ ))
2.900 1.100 1.100 peak 190 spectrum 1 weight .10000E+01 volume .12520E-02 ppm1 1.122 ppm2 7.077 CV 1
ASSI { 191}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 191 spectrum 1 weight .10000E+01 volume .76637E-03 ppm1 4.818 ppm2 9.185 CV 1
ASSI { 192}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 192 spectrum 1 weight .10000E+01 volume .84538E-03 ppm1 4.819 ppm2 9.093 CV 1
ASSI { 193}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
3.000 1.100 1.100 peak 193 spectrum 1 weight .10000E+01 volume .11339E-02 ppm1 3.283 ppm2 2.673 CV 1
ASSI { 194}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 194 spectrum 1 weight .10000E+01 volume .96067E-03 ppm1 3.278 ppm2 9.186 CV 1
ASSI { 195}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.500 .800 .800 peak 195 spectrum 1 weight .10000E+01 volume .31795E-02 ppm1 3.280 ppm2 9.093 CV 1
ASSI { 196}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 27 and name HD% )
3.100 1.200 1.200 peak 196 spectrum 1 weight .10000E+01 volume .10079E-02 ppm1 3.277 ppm2 6.793 CV 1
ASSI { 197}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 27 and name HE% )
3.000 1.100 1.100 peak 197 spectrum 1 weight .10000E+01 volume .10725E-02 ppm1 3.277 ppm2 6.847 CV 1
ASSI { 198}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.000 1.100 1.100 peak 198 spectrum 1 weight .10000E+01 volume .11708E-02 ppm1 2.675 ppm2 9.186 CV 1
ASSI { 199}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.600 .900 .900 peak 199 spectrum 1 weight .10000E+01 volume .24427E-02 ppm1 2.674 ppm2 9.093 CV 1
ASSI { 200}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 27 and name HD% )
2.900 1.000 1.000 peak 200 spectrum 1 weight .10000E+01 volume .15178E-02 ppm1 2.669 ppm2 6.792 CV 1
ASSI { 201}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 27 and name HE% )
2.900 1.100 1.100 peak 201 spectrum 1 weight .10000E+01 volume .13453E-02 ppm1 2.669 ppm2 6.847 CV 1
ASSI { 202}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 202 spectrum 1 weight .10000E+01 volume .99786E-03 ppm1 9.189 ppm2 9.091 CV 1
ASSI { 203}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 203 spectrum 1 weight .10000E+01 volume .75517E-03 ppm1 9.186 ppm2 8.414 CV 1
ASSI { 204}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 24 and name HN ))
3.300 1.300 1.300 peak 204 spectrum 1 weight .10000E+01 volume .68836E-03 ppm1 9.190 ppm2 8.176 CV 1
ASSI { 207}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.600 .800 .800 peak 207 spectrum 1 weight .10000E+01 volume .26975E-02 ppm1 4.155 ppm2 9.094 CV 1
ASSI { 208}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 208 spectrum 1 weight .10000E+01 volume .88900E-03 ppm1 4.159 ppm2 8.415 CV 1
ASSI { 209}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.400 .700 .700 peak 209 spectrum 1 weight .10000E+01 volume .38763E-02 ppm1 2.052 ppm2 9.094 CV 1
OR { 209}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 210}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 210 spectrum 1 weight .10000E+01 volume .90181E-03 ppm1 2.044 ppm2 8.414 CV 1
OR { 210}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 211}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HN ))
2.500 .800 .800 peak 211 spectrum 1 weight .10000E+01 volume .30411E-02 ppm1 2.243 ppm2 9.094 CV 1
OR { 211}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 212}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 23 and name HD21))
3.200 1.300 1.300 peak 212 spectrum 1 weight .10000E+01 volume .81649E-03 ppm1 2.244 ppm2 7.768 CV 1
OR { 212}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 23 and name HD21))
ASSI { 213}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 23 and name HD22))
3.100 1.200 1.200 peak 213 spectrum 1 weight .10000E+01 volume .96298E-03 ppm1 2.243 ppm2 6.912 CV 1
OR { 213}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 23 and name HD22))
ASSI { 214}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 23 and name HN ))
2.900 1.100 1.100 peak 214 spectrum 1 weight .10000E+01 volume .12984E-02 ppm1 2.244 ppm2 8.414 CV 1
OR { 214}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 217}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 .900 .900 peak 217 spectrum 1 weight .10000E+01 volume .24697E-02 ppm1 4.922 ppm2 8.414 CV 1
ASSI { 218}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 218 spectrum 1 weight .10000E+01 volume .17764E-02 ppm1 4.925 ppm2 8.178 CV 1
ASSI { 219}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
2.000 .500 .500 peak 219 spectrum 1 weight .10000E+01 volume .11570E-01 ppm1 2.998 ppm2 2.773 CV 1
ASSI { 220}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD21))
2.700 .900 .900 peak 220 spectrum 1 weight .10000E+01 volume .23243E-02 ppm1 2.991 ppm2 7.767 CV 1
ASSI { 221}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD22))
2.900 1.000 1.000 peak 221 spectrum 1 weight .10000E+01 volume .14367E-02 ppm1 2.999 ppm2 6.912 CV 1
ASSI { 222}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.700 .900 .900 peak 222 spectrum 1 weight .10000E+01 volume .21973E-02 ppm1 2.999 ppm2 8.414 CV 1
ASSI { 223}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.400 1.500 1.500 peak 223 spectrum 1 weight .10000E+01 volume .51516E-03 ppm1 2.998 ppm2 8.180 CV 1
ASSI { 224}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 25 and name HN ))
3.300 1.400 1.400 peak 224 spectrum 1 weight .10000E+01 volume .63852E-03 ppm1 2.999 ppm2 8.531 CV 1
ASSI { 225}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD21))
2.500 .800 .800 peak 225 spectrum 1 weight .10000E+01 volume .33711E-02 ppm1 2.777 ppm2 7.767 CV 1
ASSI { 226}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD22))
2.700 .900 .900 peak 226 spectrum 1 weight .10000E+01 volume .21026E-02 ppm1 2.777 ppm2 6.912 CV 1
ASSI { 227}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.500 .800 .800 peak 227 spectrum 1 weight .10000E+01 volume .32157E-02 ppm1 2.777 ppm2 8.414 CV 1
ASSI { 228}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 228 spectrum 1 weight .10000E+01 volume .86537E-03 ppm1 2.778 ppm2 8.181 CV 1
ASSI { 229}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 229 spectrum 1 weight .10000E+01 volume .10563E-02 ppm1 2.776 ppm2 8.530 CV 1
ASSI { 230}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HN ))
3.300 1.400 1.400 peak 230 spectrum 1 weight .10000E+01 volume .63447E-03 ppm1 7.768 ppm2 8.413 CV 1
ASSI { 231}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 23 and name HD21))
1.700 .400 .500 peak 231 spectrum 1 weight .10000E+01 volume .34904E-01 ppm1 6.912 ppm2 7.768 CV 1
ASSI { 232}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 23 and name HN ))
3.400 1.500 1.500 peak 232 spectrum 1 weight .10000E+01 volume .51228E-03 ppm1 6.914 ppm2 8.415 CV 1
ASSI { 233}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.800 .900 .900 peak 233 spectrum 1 weight .10000E+01 volume .18965E-02 ppm1 8.413 ppm2 9.094 CV 1
ASSI { 234}
(( segid " " and resid 24 and name HA1 ))
( segid " " and resid 20 and name HG2%)
2.400 .700 .700 peak 234 spectrum 1 weight .10000E+01 volume .38931E-02 ppm1 4.194 ppm2 1.120 CV 1
ASSI { 236}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 24 and name HN ))
2.500 .800 .800 peak 236 spectrum 1 weight .10000E+01 volume .30540E-02 ppm1 4.200 ppm2 8.179 CV 1
ASSI { 237}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 237 spectrum 1 weight .10000E+01 volume .92718E-03 ppm1 4.204 ppm2 8.530 CV 1
ASSI { 238}
(( segid " " and resid 24 and name HA2 ))
( segid " " and resid 20 and name HG2%)
2.500 .800 .800 peak 238 spectrum 1 weight .10000E+01 volume .36449E-02 ppm1 3.566 ppm2 1.120 CV 1
ASSI { 239}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 24 and name HN ))
2.300 .700 .700 peak 239 spectrum 1 weight .10000E+01 volume .48929E-02 ppm1 3.566 ppm2 8.179 CV 1
ASSI { 240}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 240 spectrum 1 weight .10000E+01 volume .12271E-02 ppm1 3.566 ppm2 8.530 CV 1
ASSI { 241}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
2.300 .700 .700 peak 241 spectrum 1 weight .10000E+01 volume .53107E-02 ppm1 8.180 ppm2 8.413 CV 1
ASSI { 242}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.400 .700 .700 peak 242 spectrum 1 weight .10000E+01 volume .44100E-02 ppm1 8.180 ppm2 8.531 CV 1
ASSI { 243}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
2.400 .700 .700 peak 243 spectrum 1 weight .10000E+01 volume .47808E-02 ppm1 4.465 ppm2 2.332 CV 1
OR { 243}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 244}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG2 ))
3.100 1.200 1.200 peak 244 spectrum 1 weight .10000E+01 volume .87296E-03 ppm1 4.465 ppm2 2.442 CV 1
OR { 244}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 245}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.100 .600 .600 peak 245 spectrum 1 weight .10000E+01 volume .96358E-02 ppm1 4.478 ppm2 8.530 CV 1
ASSI { 246}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.300 1.400 1.400 peak 246 spectrum 1 weight .10000E+01 volume .58203E-03 ppm1 2.332 ppm2 9.188 CV 1
OR { 246}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 247}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HE21))
2.800 1.000 1.000 peak 247 spectrum 1 weight .10000E+01 volume .15656E-02 ppm1 2.333 ppm2 7.635 CV 1
OR { 247}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HE21))
ASSI { 248}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HE22))
3.300 1.300 1.300 peak 248 spectrum 1 weight .10000E+01 volume .69597E-03 ppm1 2.332 ppm2 6.836 CV 1
OR { 248}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HE22))
ASSI { 249}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.200 .600 .600 peak 249 spectrum 1 weight .10000E+01 volume .79405E-02 ppm1 2.331 ppm2 8.530 CV 1
OR { 249}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 250}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.400 .700 .700 peak 250 spectrum 1 weight .10000E+01 volume .41199E-02 ppm1 2.331 ppm2 8.332 CV 1
OR { 250}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
ASSI { 251}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 38 and name HD% )
2.800 1.000 1.000 peak 251 spectrum 1 weight .10000E+01 volume .17489E-02 ppm1 2.329 ppm2 7.325 CV 1
OR { 251}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 38 and name HD% )
ASSI { 252}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 38 and name HE% )
2.400 .700 .700 peak 252 spectrum 1 weight .10000E+01 volume .42104E-02 ppm1 2.329 ppm2 6.607 CV 1
OR { 252}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 38 and name HE% )
ASSI { 253}
(( segid " " and resid 25 and name HE22))
(( segid " " and resid 25 and name HE21))
1.600 .300 .600 peak 253 spectrum 1 weight .10000E+01 volume .57561E-01 ppm1 6.834 ppm2 7.636 CV 1
ASSI { 254}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HE21))
3.200 1.300 1.300 peak 254 spectrum 1 weight .10000E+01 volume .81303E-03 ppm1 2.439 ppm2 7.635 CV 1
OR { 254}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HE21))
ASSI { 255}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HE22))
3.300 1.400 1.400 peak 255 spectrum 1 weight .10000E+01 volume .61496E-03 ppm1 2.443 ppm2 6.835 CV 1
OR { 255}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HE22))
ASSI { 256}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HN ))
2.900 1.000 1.000 peak 256 spectrum 1 weight .10000E+01 volume .15103E-02 ppm1 2.443 ppm2 8.530 CV 1
OR { 256}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HN ))
ASSI { 257}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 257 spectrum 1 weight .10000E+01 volume .84512E-03 ppm1 2.444 ppm2 8.333 CV 1
OR { 257}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HN ))
ASSI { 258}
(( segid " " and resid 25 and name HG3 ))
( segid " " and resid 38 and name HD% )
3.400 1.500 1.500 peak 258 spectrum 1 weight .10000E+01 volume .50618E-03 ppm1 2.443 ppm2 7.325 CV 1
OR { 258}
(( segid " " and resid 25 and name HG2 ))
( segid " " and resid 38 and name HD% )
ASSI { 260}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 21 and name HN ))
2.700 .900 .900 peak 260 spectrum 1 weight .10000E+01 volume .19958E-02 ppm1 8.531 ppm2 9.185 CV 1
ASSI { 261}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB ))
2.600 .900 .900 peak 261 spectrum 1 weight .10000E+01 volume .24089E-02 ppm1 4.477 ppm2 1.776 CV 1
ASSI { 262}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HG1%)
2.300 .700 .700 peak 262 spectrum 1 weight .10000E+01 volume .49315E-02 ppm1 4.478 ppm2 .877 CV 1
ASSI { 263}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HG2%)
2.500 .800 .800 peak 263 spectrum 1 weight .10000E+01 volume .37333E-02 ppm1 4.480 ppm2 .569 CV 1
ASSI { 264}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 27 and name HD% )
3.100 1.200 1.200 peak 264 spectrum 1 weight .10000E+01 volume .98869E-03 ppm1 4.479 ppm2 6.792 CV 1
ASSI { 265}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 27 and name HE% )
3.200 1.300 1.300 peak 265 spectrum 1 weight .10000E+01 volume .78603E-03 ppm1 4.479 ppm2 6.847 CV 1
ASSI { 266}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 26 and name HG1%)
2.300 .600 .600 peak 266 spectrum 1 weight .10000E+01 volume .59492E-02 ppm1 1.775 ppm2 .875 CV 1
ASSI { 267}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 26 and name HG2%)
2.200 .600 .600 peak 267 spectrum 1 weight .10000E+01 volume .80282E-02 ppm1 1.773 ppm2 .571 CV 1
ASSI { 268}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HN ))
2.200 .600 .600 peak 268 spectrum 1 weight .10000E+01 volume .68817E-02 ppm1 1.772 ppm2 8.330 CV 1
ASSI { 269}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 269 spectrum 1 weight .10000E+01 volume .16764E-02 ppm1 1.772 ppm2 8.529 CV 1
ASSI { 270}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 18 and name HE21))
2.800 1.000 1.000 peak 270 spectrum 1 weight .10000E+01 volume .17630E-02 ppm1 .873 ppm2 7.069 CV 1
ASSI { 271}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 18 and name HE22))
2.900 1.100 1.100 peak 271 spectrum 1 weight .10000E+01 volume .12729E-02 ppm1 .873 ppm2 6.769 CV 1
ASSI { 272}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 21 and name HN ))
3.500 1.500 1.500 peak 272 spectrum 1 weight .10000E+01 volume .43815E-03 ppm1 .876 ppm2 9.185 CV 1
ASSI { 273}
( segid " " and resid 26 and name HG1%)
( segid " " and resid 26 and name HG2%)
1.900 .500 .500 peak 273 spectrum 1 weight .10000E+01 volume .15062E-01 ppm1 .875 ppm2 .569 CV 1
ASSI { 274}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 26 and name HN ))
2.100 .600 .600 peak 274 spectrum 1 weight .10000E+01 volume .86411E-02 ppm1 .871 ppm2 8.330 CV 1
ASSI { 275}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 275 spectrum 1 weight .10000E+01 volume .29737E-02 ppm1 .871 ppm2 8.529 CV 1
ASSI { 276}
( segid " " and resid 26 and name HG1%)
( segid " " and resid 28 and name HD% )
3.100 1.200 1.200 peak 276 spectrum 1 weight .10000E+01 volume .94392E-03 ppm1 .873 ppm2 6.965 CV 1
ASSI { 277}
( segid " " and resid 26 and name HG1%)
( segid " " and resid 28 and name HE% )
2.500 .800 .800 peak 277 spectrum 1 weight .10000E+01 volume .32725E-02 ppm1 .873 ppm2 7.168 CV 1
ASSI { 278}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 18 and name HE21))
2.700 .900 .900 peak 278 spectrum 1 weight .10000E+01 volume .19108E-02 ppm1 .566 ppm2 7.070 CV 1
ASSI { 279}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 18 and name HE22))
2.800 1.000 1.000 peak 279 spectrum 1 weight .10000E+01 volume .15400E-02 ppm1 .565 ppm2 6.769 CV 1
ASSI { 280}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 21 and name HN ))
3.300 1.400 1.400 peak 280 spectrum 1 weight .10000E+01 volume .61587E-03 ppm1 .566 ppm2 9.186 CV 1
ASSI { 281}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HN ))
2.500 .800 .800 peak 281 spectrum 1 weight .10000E+01 volume .32413E-02 ppm1 .566 ppm2 8.330 CV 1
ASSI { 282}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 27 and name HN ))
2.300 .700 .700 peak 282 spectrum 1 weight .10000E+01 volume .51826E-02 ppm1 .566 ppm2 8.529 CV 1
ASSI { 283}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 28 and name HD% )
2.800 1.000 1.000 peak 283 spectrum 1 weight .10000E+01 volume .17938E-02 ppm1 .563 ppm2 6.966 CV 1
ASSI { 284}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 28 and name HE% )
2.300 .700 .700 peak 284 spectrum 1 weight .10000E+01 volume .57394E-02 ppm1 .565 ppm2 7.168 CV 1
ASSI { 285}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 26 and name HG2%)
3.100 1.200 1.200 peak 285 spectrum 1 weight .10000E+01 volume .97920E-03 ppm1 4.394 ppm2 .571 CV 1
ASSI { 286}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.400 .700 .700 peak 286 spectrum 1 weight .10000E+01 volume .45824E-02 ppm1 4.394 ppm2 2.270 CV 1
ASSI { 287}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.700 .900 .900 peak 287 spectrum 1 weight .10000E+01 volume .23549E-02 ppm1 4.394 ppm2 2.153 CV 1
ASSI { 288}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HD% )
2.900 1.000 1.000 peak 288 spectrum 1 weight .10000E+01 volume .14561E-02 ppm1 4.393 ppm2 6.791 CV 1
ASSI { 289}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HE% )
3.400 1.500 1.500 peak 289 spectrum 1 weight .10000E+01 volume .49903E-03 ppm1 4.395 ppm2 6.847 CV 1
ASSI { 290}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 290 spectrum 1 weight .10000E+01 volume .15893E-02 ppm1 4.394 ppm2 8.529 CV 1
ASSI { 291}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 28 and name HD% )
2.600 .900 .900 peak 291 spectrum 1 weight .10000E+01 volume .25689E-02 ppm1 4.393 ppm2 6.965 CV 1
ASSI { 292}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 28 and name HE% )
2.800 1.000 1.000 peak 292 spectrum 1 weight .10000E+01 volume .17246E-02 ppm1 4.388 ppm2 7.168 CV 1
ASSI { 293}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.500 .800 .800 peak 293 spectrum 1 weight .10000E+01 volume .31992E-02 ppm1 4.395 ppm2 8.931 CV 1
ASSI { 294}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 38 and name HD% )
3.000 1.100 1.100 peak 294 spectrum 1 weight .10000E+01 volume .11305E-02 ppm1 4.393 ppm2 7.323 CV 1
ASSI { 295}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HD% )
2.600 .800 .800 peak 295 spectrum 1 weight .10000E+01 volume .28238E-02 ppm1 2.265 ppm2 6.791 CV 1
ASSI { 297}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 297 spectrum 1 weight .10000E+01 volume .98809E-03 ppm1 2.267 ppm2 8.529 CV 1
ASSI { 298}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.700 .900 .900 peak 298 spectrum 1 weight .10000E+01 volume .23149E-02 ppm1 2.264 ppm2 8.936 CV 1
ASSI { 299}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 38 and name HD% )
3.200 1.300 1.300 peak 299 spectrum 1 weight .10000E+01 volume .79881E-03 ppm1 2.265 ppm2 7.325 CV 1
ASSI { 300}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 38 and name HE% )
3.100 1.200 1.200 peak 300 spectrum 1 weight .10000E+01 volume .91007E-03 ppm1 2.265 ppm2 6.607 CV 1
ASSI { 301}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 27 and name HD% )
2.600 .800 .800 peak 301 spectrum 1 weight .10000E+01 volume .26569E-02 ppm1 2.154 ppm2 6.791 CV 1
ASSI { 302}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 27 and name HE% )
3.300 1.300 1.300 peak 302 spectrum 1 weight .10000E+01 volume .65993E-03 ppm1 2.155 ppm2 6.846 CV 1
ASSI { 303}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 303 spectrum 1 weight .10000E+01 volume .85802E-03 ppm1 2.155 ppm2 8.529 CV 1
ASSI { 304}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 304 spectrum 1 weight .10000E+01 volume .17157E-02 ppm1 2.153 ppm2 8.936 CV 1
ASSI { 305}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 38 and name HD% )
3.000 1.100 1.100 peak 305 spectrum 1 weight .10000E+01 volume .10957E-02 ppm1 2.154 ppm2 7.323 CV 1
ASSI { 306}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 38 and name HE% )
3.100 1.200 1.200 peak 306 spectrum 1 weight .10000E+01 volume .84736E-03 ppm1 2.157 ppm2 6.606 CV 1
ASSI { 307}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 19 and name HN ))
3.300 1.400 1.400 peak 307 spectrum 1 weight .10000E+01 volume .60127E-03 ppm1 6.790 ppm2 8.417 CV 1
ASSI { 308}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 22 and name HN ))
3.400 1.400 1.400 peak 308 spectrum 1 weight .10000E+01 volume .52825E-03 ppm1 6.790 ppm2 9.092 CV 1
ASSI { 309}
( segid " " and resid 27 and name HD% )
( segid " " and resid 27 and name HE% )
1.800 .400 .400 peak 309 spectrum 1 weight .10000E+01 volume .23188E-01 ppm1 6.790 ppm2 6.845 CV 1
ASSI { 310}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HN ))
2.700 .900 .900 peak 310 spectrum 1 weight .10000E+01 volume .23031E-02 ppm1 6.790 ppm2 8.529 CV 1
ASSI { 311}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 311 spectrum 1 weight .10000E+01 volume .17569E-02 ppm1 6.790 ppm2 8.930 CV 1
ASSI { 312}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 37 and name HN ))
3.200 1.300 1.300 peak 312 spectrum 1 weight .10000E+01 volume .74369E-03 ppm1 6.790 ppm2 9.338 CV 1
ASSI { 313}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 313 spectrum 1 weight .10000E+01 volume .37657E-03 ppm1 6.846 ppm2 8.417 CV 1
ASSI { 314}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 22 and name HN ))
3.300 1.400 1.400 peak 314 spectrum 1 weight .10000E+01 volume .64106E-03 ppm1 6.847 ppm2 9.092 CV 1
ASSI { 315}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HN ))
3.200 1.200 1.200 peak 315 spectrum 1 weight .10000E+01 volume .82200E-03 ppm1 6.846 ppm2 8.529 CV 1
ASSI { 316}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HZ ))
2.000 .500 .500 peak 316 spectrum 1 weight .10000E+01 volume .12869E-01 ppm1 6.847 ppm2 7.082 CV 1
ASSI { 317}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 317 spectrum 1 weight .10000E+01 volume .94402E-03 ppm1 6.845 ppm2 8.930 CV 1
ASSI { 318}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 37 and name HN ))
3.100 1.200 1.200 peak 318 spectrum 1 weight .10000E+01 volume .87140E-03 ppm1 6.845 ppm2 9.338 CV 1
ASSI { 319}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 16 and name HE3 ))
3.200 1.300 1.300 peak 319 spectrum 1 weight .10000E+01 volume .72478E-03 ppm1 5.250 ppm2 7.345 CV 1
ASSI { 320}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 16 and name HZ3 ))
3.400 1.500 1.500 peak 320 spectrum 1 weight .10000E+01 volume .49852E-03 ppm1 5.256 ppm2 6.850 CV 1
ASSI { 321}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.300 1.400 1.400 peak 321 spectrum 1 weight .10000E+01 volume .60265E-03 ppm1 5.248 ppm2 1.870 CV 1
OR { 321}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 322}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 322 spectrum 1 weight .10000E+01 volume .10809E-02 ppm1 5.256 ppm2 8.415 CV 1
ASSI { 325}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HD% )
2.600 .900 .900 peak 325 spectrum 1 weight .10000E+01 volume .26049E-02 ppm1 5.251 ppm2 6.964 CV 1
ASSI { 326}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 326 spectrum 1 weight .10000E+01 volume .78548E-03 ppm1 5.256 ppm2 8.936 CV 1
ASSI { 327}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 29 and name HG1%)
3.100 1.200 1.200 peak 327 spectrum 1 weight .10000E+01 volume .85459E-03 ppm1 5.256 ppm2 .673 CV 1
ASSI { 328}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
2.500 .800 .800 peak 328 spectrum 1 weight .10000E+01 volume .30282E-02 ppm1 5.256 ppm2 9.185 CV 1
ASSI { 329}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 16 and name HE3 ))
2.500 .800 .800 peak 329 spectrum 1 weight .10000E+01 volume .35997E-02 ppm1 3.156 ppm2 7.343 CV 1
ASSI { 330}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 16 and name HZ3 ))
2.800 1.000 1.000 peak 330 spectrum 1 weight .10000E+01 volume .18221E-02 ppm1 3.154 ppm2 6.847 CV 1
ASSI { 331}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 28 and name HD% )
2.300 .700 .700 peak 331 spectrum 1 weight .10000E+01 volume .53277E-02 ppm1 3.153 ppm2 6.966 CV 1
ASSI { 332}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 332 spectrum 1 weight .10000E+01 volume .95408E-03 ppm1 3.155 ppm2 8.936 CV 1
ASSI { 333}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 333 spectrum 1 weight .10000E+01 volume .94001E-03 ppm1 3.156 ppm2 9.183 CV 1
ASSI { 334}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 37 and name HG2%)
2.600 .900 .900 peak 334 spectrum 1 weight .10000E+01 volume .23916E-02 ppm1 3.155 ppm2 1.450 CV 1
ASSI { 335}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 16 and name HE3 ))
2.700 .900 .900 peak 335 spectrum 1 weight .10000E+01 volume .20366E-02 ppm1 3.032 ppm2 7.343 CV 1
ASSI { 338}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.900 1.100 1.100 peak 338 spectrum 1 weight .10000E+01 volume .12731E-02 ppm1 3.027 ppm2 8.937 CV 1
ASSI { 339}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 37 and name HG2%)
2.500 .800 .800 peak 339 spectrum 1 weight .10000E+01 volume .31187E-02 ppm1 3.029 ppm2 1.450 CV 1
ASSI { 340}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 340 spectrum 1 weight .10000E+01 volume .76398E-03 ppm1 6.963 ppm2 8.415 CV 1
ASSI { 341}
( segid " " and resid 28 and name HD% )
( segid " " and resid 28 and name HE% )
2.000 .500 .500 peak 341 spectrum 1 weight .10000E+01 volume .14939E-01 ppm1 6.961 ppm2 7.173 CV 1
ASSI { 342}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 28 and name HN ))
2.500 .800 .800 peak 342 spectrum 1 weight .10000E+01 volume .31323E-02 ppm1 6.965 ppm2 8.933 CV 1
ASSI { 344}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 344 spectrum 1 weight .10000E+01 volume .94633E-03 ppm1 6.961 ppm2 9.185 CV 1
ASSI { 345}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 39 and name HN ))
3.200 1.300 1.300 peak 345 spectrum 1 weight .10000E+01 volume .77404E-03 ppm1 6.962 ppm2 8.559 CV 1
ASSI { 346}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 346 spectrum 1 weight .10000E+01 volume .76244E-03 ppm1 7.169 ppm2 8.934 CV 1
ASSI { 347}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 40 and name HN ))
2.700 .900 .900 peak 347 spectrum 1 weight .10000E+01 volume .20033E-02 ppm1 7.168 ppm2 8.090 CV 1
ASSI { 348}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 348 spectrum 1 weight .10000E+01 volume .10876E-02 ppm1 8.932 ppm2 9.339 CV 1
ASSI { 349}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB ))
3.000 1.100 1.100 peak 349 spectrum 1 weight .10000E+01 volume .11748E-02 ppm1 4.470 ppm2 1.676 CV 1
ASSI { 350}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG1%)
2.500 .800 .800 peak 350 spectrum 1 weight .10000E+01 volume .34392E-02 ppm1 4.472 ppm2 .673 CV 1
ASSI { 351}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG2%)
2.500 .800 .800 peak 351 spectrum 1 weight .10000E+01 volume .30629E-02 ppm1 4.472 ppm2 .347 CV 1
ASSI { 352}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.400 .700 .700 peak 352 spectrum 1 weight .10000E+01 volume .47647E-02 ppm1 4.479 ppm2 8.298 CV 1
ASSI { 353}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 37 and name HN ))
3.200 1.300 1.300 peak 353 spectrum 1 weight .10000E+01 volume .72500E-03 ppm1 4.479 ppm2 9.341 CV 1
ASSI { 355}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 355 spectrum 1 weight .10000E+01 volume .84612E-03 ppm1 1.676 ppm2 9.285 CV 1
ASSI { 356}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG1%)
2.200 .600 .600 peak 356 spectrum 1 weight .10000E+01 volume .72444E-02 ppm1 1.675 ppm2 .675 CV 1
ASSI { 357}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG2%)
2.200 .600 .600 peak 357 spectrum 1 weight .10000E+01 volume .70932E-02 ppm1 1.675 ppm2 .348 CV 1
ASSI { 358}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HN ))
2.700 .900 .900 peak 358 spectrum 1 weight .10000E+01 volume .20745E-02 ppm1 1.676 ppm2 9.186 CV 1
ASSI { 359}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 31 and name HD2 ))
3.100 1.200 1.200 peak 359 spectrum 1 weight .10000E+01 volume .94232E-03 ppm1 1.677 ppm2 6.934 CV 1
ASSI { 360}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 360 spectrum 1 weight .10000E+01 volume .60268E-03 ppm1 .671 ppm2 9.284 CV 1
ASSI { 361}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 19 and name HB3 ))
3.300 1.300 1.300 peak 361 spectrum 1 weight .10000E+01 volume .69323E-03 ppm1 .671 ppm2 .436 CV 1
ASSI { 362}
( segid " " and resid 29 and name HG1%)
( segid " " and resid 27 and name HD% )
2.500 .800 .800 peak 362 spectrum 1 weight .10000E+01 volume .34416E-02 ppm1 .672 ppm2 6.792 CV 1
ASSI { 363}
( segid " " and resid 29 and name HG1%)
( segid " " and resid 27 and name HE% )
2.300 .700 .700 peak 363 spectrum 1 weight .10000E+01 volume .55222E-02 ppm1 .672 ppm2 6.846 CV 1
ASSI { 364}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 27 and name HZ ))
2.800 1.000 1.000 peak 364 spectrum 1 weight .10000E+01 volume .15870E-02 ppm1 .672 ppm2 7.083 CV 1
ASSI { 365}
( segid " " and resid 29 and name HG1%)
( segid " " and resid 29 and name HG2%)
2.000 .500 .500 peak 365 spectrum 1 weight .10000E+01 volume .13663E-01 ppm1 .673 ppm2 .347 CV 1
ASSI { 366}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 29 and name HN ))
2.700 .900 .900 peak 366 spectrum 1 weight .10000E+01 volume .23588E-02 ppm1 .670 ppm2 9.186 CV 1
ASSI { 367}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 30 and name HN ))
2.800 .900 .900 peak 367 spectrum 1 weight .10000E+01 volume .18765E-02 ppm1 .674 ppm2 8.297 CV 1
ASSI { 368}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 31 and name HD2 ))
3.300 1.400 1.400 peak 368 spectrum 1 weight .10000E+01 volume .62853E-03 ppm1 .675 ppm2 6.935 CV 1
ASSI { 369}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 31 and name HE1 ))
2.900 1.000 1.000 peak 369 spectrum 1 weight .10000E+01 volume .14071E-02 ppm1 .676 ppm2 8.096 CV 1
ASSI { 370}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 35 and name HN ))
3.500 1.500 1.500 peak 370 spectrum 1 weight .10000E+01 volume .44261E-03 ppm1 .676 ppm2 7.457 CV 1
ASSI { 371}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 371 spectrum 1 weight .10000E+01 volume .97242E-03 ppm1 .344 ppm2 9.285 CV 1
ASSI { 372}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 27 and name HD% )
3.200 1.300 1.300 peak 372 spectrum 1 weight .10000E+01 volume .82019E-03 ppm1 .343 ppm2 6.792 CV 1
ASSI { 374}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 374 spectrum 1 weight .10000E+01 volume .16616E-02 ppm1 .342 ppm2 9.186 CV 1
ASSI { 375}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HN ))
2.500 .800 .800 peak 375 spectrum 1 weight .10000E+01 volume .31030E-02 ppm1 .343 ppm2 8.297 CV 1
ASSI { 376}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 31 and name HD2 ))
2.700 .900 .900 peak 376 spectrum 1 weight .10000E+01 volume .22836E-02 ppm1 .343 ppm2 6.934 CV 1
ASSI { 377}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 31 and name HE1 ))
2.400 .700 .700 peak 377 spectrum 1 weight .10000E+01 volume .42689E-02 ppm1 .347 ppm2 8.096 CV 1
ASSI { 378}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 378 spectrum 1 weight .10000E+01 volume .10090E-02 ppm1 .343 ppm2 8.628 CV 1
ASSI { 379}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 35 and name HN ))
3.400 1.500 1.500 peak 379 spectrum 1 weight .10000E+01 volume .49167E-03 ppm1 .344 ppm2 7.456 CV 1
ASSI { 380}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 17 and name HN ))
3.000 1.200 1.200 peak 380 spectrum 1 weight .10000E+01 volume .10258E-02 ppm1 9.186 ppm2 9.285 CV 1
ASSI { 381}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 16 and name HE3 ))
2.800 1.000 1.000 peak 381 spectrum 1 weight .10000E+01 volume .17199E-02 ppm1 3.778 ppm2 7.346 CV 1
ASSI { 382}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 382 spectrum 1 weight .10000E+01 volume .75134E-03 ppm1 3.777 ppm2 9.290 CV 1
ASSI { 385}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 385 spectrum 1 weight .10000E+01 volume .11546E-02 ppm1 3.777 ppm2 8.298 CV 1
ASSI { 386}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.300 .700 .700 peak 386 spectrum 1 weight .10000E+01 volume .54621E-02 ppm1 3.776 ppm2 8.625 CV 1
ASSI { 387}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 16 and name HZ2 ))
3.400 1.400 1.400 peak 387 spectrum 1 weight .10000E+01 volume .53284E-03 ppm1 1.899 ppm2 7.394 CV 1
ASSI { 388}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB3 ))
2.700 .900 .900 peak 388 spectrum 1 weight .10000E+01 volume .22189E-02 ppm1 1.892 ppm2 .122 CV 1
ASSI { 389}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.700 .900 .900 peak 389 spectrum 1 weight .10000E+01 volume .21260E-02 ppm1 1.897 ppm2 8.299 CV 1
ASSI { 390}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 390 spectrum 1 weight .10000E+01 volume .16224E-02 ppm1 1.898 ppm2 7.462 CV 1
ASSI { 391}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 16 and name HZ2 ))
3.200 1.300 1.300 peak 391 spectrum 1 weight .10000E+01 volume .74043E-03 ppm1 .109 ppm2 7.396 CV 1
ASSI { 392}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 392 spectrum 1 weight .10000E+01 volume .12990E-02 ppm1 .118 ppm2 8.299 CV 1
ASSI { 393}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 35 and name HN ))
3.200 1.300 1.300 peak 393 spectrum 1 weight .10000E+01 volume .80212E-03 ppm1 .106 ppm2 7.460 CV 1
ASSI { 394}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
3.300 1.400 1.400 peak 394 spectrum 1 weight .10000E+01 volume .59012E-03 ppm1 8.296 ppm2 8.624 CV 1
ASSI { 395}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 29 and name HG2%)
3.200 1.300 1.300 peak 395 spectrum 1 weight .10000E+01 volume .76491E-03 ppm1 4.266 ppm2 .348 CV 1
ASSI { 397}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.700 .900 .900 peak 397 spectrum 1 weight .10000E+01 volume .19125E-02 ppm1 4.267 ppm2 8.625 CV 1
ASSI { 398}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 398 spectrum 1 weight .10000E+01 volume .11493E-02 ppm1 4.266 ppm2 8.132 CV 1
ASSI { 399}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 399 spectrum 1 weight .10000E+01 volume .93373E-03 ppm1 4.266 ppm2 7.440 CV 1
ASSI { 400}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 29 and name HG2%)
3.200 1.300 1.300 peak 400 spectrum 1 weight .10000E+01 volume .74780E-03 ppm1 3.084 ppm2 .348 CV 1
OR { 400}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 29 and name HG2%)
ASSI { 401}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HD2 ))
2.300 .700 .700 peak 401 spectrum 1 weight .10000E+01 volume .49399E-02 ppm1 3.088 ppm2 6.935 CV 1
OR { 401}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HD2 ))
ASSI { 402}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
2.300 .600 .600 peak 402 spectrum 1 weight .10000E+01 volume .59263E-02 ppm1 3.088 ppm2 8.625 CV 1
OR { 402}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
ASSI { 403}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 32 and name HD1%)
3.100 1.200 1.200 peak 403 spectrum 1 weight .10000E+01 volume .93131E-03 ppm1 3.088 ppm2 .767 CV 1
OR { 403}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 32 and name HD1%)
ASSI { 404}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 404 spectrum 1 weight .10000E+01 volume .15802E-02 ppm1 3.088 ppm2 8.132 CV 1
OR { 404}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 405}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 405 spectrum 1 weight .10000E+01 volume .62472E-03 ppm1 6.930 ppm2 9.283 CV 1
ASSI { 406}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 406 spectrum 1 weight .10000E+01 volume .15128E-02 ppm1 6.931 ppm2 8.625 CV 1
ASSI { 407}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.600 .800 .800 peak 407 spectrum 1 weight .10000E+01 volume .26299E-02 ppm1 3.882 ppm2 8.132 CV 1
ASSI { 409}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HD1%)
2.600 .900 .900 peak 409 spectrum 1 weight .10000E+01 volume .25494E-02 ppm1 1.990 ppm2 .764 CV 1
ASSI { 410}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG2%)
2.100 .500 .500 peak 410 spectrum 1 weight .10000E+01 volume .97647E-02 ppm1 1.989 ppm2 .798 CV 1
ASSI { 411}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HN ))
2.300 .700 .700 peak 411 spectrum 1 weight .10000E+01 volume .51975E-02 ppm1 1.987 ppm2 8.132 CV 1
ASSI { 412}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HD21))
3.300 1.400 1.400 peak 412 spectrum 1 weight .10000E+01 volume .59010E-03 ppm1 1.983 ppm2 8.991 CV 1
ASSI { 413}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HD22))
3.200 1.300 1.300 peak 413 spectrum 1 weight .10000E+01 volume .81531E-03 ppm1 1.986 ppm2 6.998 CV 1
ASSI { 414}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 414 spectrum 1 weight .10000E+01 volume .32402E-02 ppm1 1.988 ppm2 7.663 CV 1
ASSI { 415}
( segid " " and resid 32 and name HD1%)
( segid " " and resid 14 and name HD% )
2.600 .900 .900 peak 415 spectrum 1 weight .10000E+01 volume .24273E-02 ppm1 .766 ppm2 7.117 CV 1
ASSI { 416}
( segid " " and resid 32 and name HD1%)
( segid " " and resid 14 and name HE% )
2.600 .800 .800 peak 416 spectrum 1 weight .10000E+01 volume .26781E-02 ppm1 .766 ppm2 6.813 CV 1
ASSI { 417}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 31 and name HN ))
3.300 1.400 1.400 peak 417 spectrum 1 weight .10000E+01 volume .61055E-03 ppm1 .771 ppm2 8.626 CV 1
ASSI { 418}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 418 spectrum 1 weight .10000E+01 volume .18102E-02 ppm1 .766 ppm2 8.131 CV 1
ASSI { 419}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 32 and name HN ))
2.600 .900 .900 peak 419 spectrum 1 weight .10000E+01 volume .23938E-02 ppm1 1.434 ppm2 8.132 CV 1
ASSI { 420}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 33 and name HN ))
3.500 1.500 1.500 peak 420 spectrum 1 weight .10000E+01 volume .46028E-03 ppm1 1.432 ppm2 7.663 CV 1
ASSI { 421}
(( segid " " and resid 32 and name HG13))
( segid " " and resid 32 and name HD1%)
2.400 .700 .700 peak 421 spectrum 1 weight .10000E+01 volume .45610E-02 ppm1 1.175 ppm2 .764 CV 1
ASSI { 422}
(( segid " " and resid 32 and name HG13))
( segid " " and resid 32 and name HG2%)
2.500 .800 .800 peak 422 spectrum 1 weight .10000E+01 volume .31755E-02 ppm1 1.175 ppm2 .799 CV 1
ASSI { 423}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 32 and name HN ))
2.600 .800 .800 peak 423 spectrum 1 weight .10000E+01 volume .26382E-02 ppm1 1.170 ppm2 8.132 CV 1
ASSI { 424}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 33 and name HN ))
3.300 1.300 1.300 peak 424 spectrum 1 weight .10000E+01 volume .68257E-03 ppm1 1.176 ppm2 7.662 CV 1
ASSI { 425}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HN ))
2.500 .800 .800 peak 425 spectrum 1 weight .10000E+01 volume .30966E-02 ppm1 .787 ppm2 8.131 CV 1
ASSI { 426}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HD21))
3.100 1.200 1.200 peak 426 spectrum 1 weight .10000E+01 volume .95148E-03 ppm1 .795 ppm2 8.988 CV 1
ASSI { 427}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HD22))
2.700 .900 .900 peak 427 spectrum 1 weight .10000E+01 volume .19973E-02 ppm1 .797 ppm2 6.997 CV 1
ASSI { 428}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HN ))
2.700 .900 .900 peak 428 spectrum 1 weight .10000E+01 volume .20850E-02 ppm1 .793 ppm2 7.662 CV 1
ASSI { 429}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.600 .800 .800 peak 429 spectrum 1 weight .10000E+01 volume .27385E-02 ppm1 8.131 ppm2 8.624 CV 1
ASSI { 430}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.900 .000 peak 430 spectrum 1 weight .10000E+01 volume .13549E-04 ppm1 4.567 ppm2 7.662 CV 1
ASSI { 431}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HD21))
2.700 .900 .900 peak 431 spectrum 1 weight .10000E+01 volume .19988E-02 ppm1 2.566 ppm2 8.990 CV 1
ASSI { 432}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HD22))
2.800 1.000 1.000 peak 432 spectrum 1 weight .10000E+01 volume .16827E-02 ppm1 2.565 ppm2 6.999 CV 1
ASSI { 433}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 433 spectrum 1 weight .10000E+01 volume .16458E-02 ppm1 2.565 ppm2 7.662 CV 1
ASSI { 434}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.200 1.300 1.300 peak 434 spectrum 1 weight .10000E+01 volume .77402E-03 ppm1 2.564 ppm2 7.439 CV 1
ASSI { 435}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HD21))
2.700 .900 .900 peak 435 spectrum 1 weight .10000E+01 volume .22533E-02 ppm1 2.321 ppm2 8.990 CV 1
ASSI { 436}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HD22))
2.700 .900 .900 peak 436 spectrum 1 weight .10000E+01 volume .20958E-02 ppm1 2.319 ppm2 6.999 CV 1
ASSI { 437}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 437 spectrum 1 weight .10000E+01 volume .17014E-02 ppm1 2.320 ppm2 7.662 CV 1
ASSI { 438}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HN ))
3.200 1.300 1.300 peak 438 spectrum 1 weight .10000E+01 volume .69711E-03 ppm1 2.321 ppm2 7.437 CV 1
ASSI { 439}
(( segid " " and resid 33 and name HD22))
(( segid " " and resid 33 and name HD21))
2.100 .500 .500 peak 439 spectrum 1 weight .10000E+01 volume .10755E-01 ppm1 6.997 ppm2 8.990 CV 1
ASSI { 440}
(( segid " " and resid 33 and name HD22))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 440 spectrum 1 weight .10000E+01 volume .99449E-03 ppm1 6.995 ppm2 7.665 CV 1
ASSI { 441}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
2.400 .700 .700 peak 441 spectrum 1 weight .10000E+01 volume .39433E-02 ppm1 7.657 ppm2 8.130 CV 1
ASSI { 442}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HD21))
3.000 1.100 1.100 peak 442 spectrum 1 weight .10000E+01 volume .10847E-02 ppm1 7.661 ppm2 8.990 CV 1
ASSI { 444}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.400 .700 .700 peak 444 spectrum 1 weight .10000E+01 volume .46203E-02 ppm1 3.889 ppm2 7.462 CV 1
ASSI { 445}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.900 1.100 1.100 peak 445 spectrum 1 weight .10000E+01 volume .13035E-02 ppm1 1.654 ppm2 7.440 CV 1
ASSI { 446}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.100 1.200 1.200 peak 446 spectrum 1 weight .10000E+01 volume .84437E-03 ppm1 1.655 ppm2 7.462 CV 1
ASSI { 447}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
2.900 1.100 1.100 peak 447 spectrum 1 weight .10000E+01 volume .12935E-02 ppm1 1.537 ppm2 7.440 CV 1
ASSI { 448}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 448 spectrum 1 weight .10000E+01 volume .11162E-02 ppm1 2.046 ppm2 7.440 CV 1
OR { 448}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 34 and name HN ))
ASSI { 449}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 449 spectrum 1 weight .10000E+01 volume .14134E-02 ppm1 1.191 ppm2 7.439 CV 1
OR { 449}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HN ))
ASSI { 450}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 450 spectrum 1 weight .10000E+01 volume .90078E-03 ppm1 7.437 ppm2 8.130 CV 1
ASSI { 451}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 451 spectrum 1 weight .10000E+01 volume .31433E-02 ppm1 7.439 ppm2 7.660 CV 1
ASSI { 452}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.000 .500 .500 peak 452 spectrum 1 weight .10000E+01 volume .13077E-01 ppm1 7.441 ppm2 7.465 CV 1
ASSI { 453}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
3.900 1.900 1.900 peak 453 spectrum 1 weight .10000E+01 volume .23408E-03 ppm1 4.811 ppm2 7.462 CV 1
ASSI { 454}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 454 spectrum 1 weight .10000E+01 volume .10568E-02 ppm1 1.787 ppm2 7.462 CV 1
ASSI { 455}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.600 .900 .900 peak 455 spectrum 1 weight .10000E+01 volume .23904E-02 ppm1 1.788 ppm2 8.413 CV 1
ASSI { 456}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 456 spectrum 1 weight .10000E+01 volume .11981E-02 ppm1 1.582 ppm2 7.462 CV 1
ASSI { 457}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
2.800 1.000 1.000 peak 457 spectrum 1 weight .10000E+01 volume .16832E-02 ppm1 1.578 ppm2 8.413 CV 1
ASSI { 458}
(( segid " " and resid 35 and name HD3 ))
(( segid " " and resid 16 and name HZ2 ))
3.300 1.300 1.300 peak 458 spectrum 1 weight .10000E+01 volume .67529E-03 ppm1 3.149 ppm2 7.393 CV 1
OR { 458}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 16 and name HZ2 ))
ASSI { 459}
(( segid " " and resid 35 and name HD3 ))
(( segid " " and resid 35 and name HN ))
3.300 1.400 1.400 peak 459 spectrum 1 weight .10000E+01 volume .60993E-03 ppm1 3.149 ppm2 7.459 CV 1
OR { 459}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HN ))
ASSI { 460}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HN ))
2.700 .900 .900 peak 460 spectrum 1 weight .10000E+01 volume .20684E-02 ppm1 1.386 ppm2 7.462 CV 1
OR { 460}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 461}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 461 spectrum 1 weight .10000E+01 volume .12913E-02 ppm1 7.462 ppm2 8.297 CV 1
ASSI { 462}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 27 and name HD% )
3.300 1.400 1.400 peak 462 spectrum 1 weight .10000E+01 volume .58141E-03 ppm1 5.422 ppm2 6.786 CV 1
ASSI { 463}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 27 and name HE% )
3.200 1.200 1.200 peak 463 spectrum 1 weight .10000E+01 volume .83489E-03 ppm1 5.421 ppm2 6.849 CV 1
ASSI { 466}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 30 and name HN ))
2.900 1.000 1.000 peak 466 spectrum 1 weight .10000E+01 volume .14923E-02 ppm1 5.421 ppm2 8.298 CV 1
ASSI { 468}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.900 1.000 1.000 peak 468 spectrum 1 weight .10000E+01 volume .14075E-02 ppm1 5.423 ppm2 8.413 CV 1
ASSI { 470}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 37 and name HG2%)
2.900 1.100 1.100 peak 470 spectrum 1 weight .10000E+01 volume .13790E-02 ppm1 5.422 ppm2 1.449 CV 1
ASSI { 471}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.400 .700 .700 peak 471 spectrum 1 weight .10000E+01 volume .40193E-02 ppm1 5.422 ppm2 9.339 CV 1
ASSI { 472}
(( segid " " and resid 36 and name HB ))
( segid " " and resid 27 and name HD% )
2.700 .900 .900 peak 472 spectrum 1 weight .10000E+01 volume .22576E-02 ppm1 4.046 ppm2 6.792 CV 1
ASSI { 473}
(( segid " " and resid 36 and name HB ))
( segid " " and resid 27 and name HE% )
3.000 1.200 1.200 peak 473 spectrum 1 weight .10000E+01 volume .10530E-02 ppm1 4.045 ppm2 6.847 CV 1
ASSI { 474}
(( segid " " and resid 36 and name HB ))
( segid " " and resid 29 and name HG1%)
3.100 1.200 1.200 peak 474 spectrum 1 weight .10000E+01 volume .93236E-03 ppm1 4.047 ppm2 .673 CV 1
ASSI { 475}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HN ))
2.900 1.000 1.000 peak 475 spectrum 1 weight .10000E+01 volume .15114E-02 ppm1 4.044 ppm2 8.414 CV 1
ASSI { 476}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 37 and name HN ))
2.700 .900 .900 peak 476 spectrum 1 weight .10000E+01 volume .20712E-02 ppm1 4.044 ppm2 9.340 CV 1
ASSI { 477}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 27 and name HD% )
2.300 .700 .700 peak 477 spectrum 1 weight .10000E+01 volume .49723E-02 ppm1 1.122 ppm2 6.792 CV 1
ASSI { 478}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 27 and name HE% )
2.400 .700 .700 peak 478 spectrum 1 weight .10000E+01 volume .45679E-02 ppm1 1.122 ppm2 6.847 CV 1
ASSI { 479}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 29 and name HG1%)
2.200 .600 .600 peak 479 spectrum 1 weight .10000E+01 volume .71665E-02 ppm1 1.124 ppm2 .673 CV 1
ASSI { 480}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 29 and name HG2%)
2.500 .800 .800 peak 480 spectrum 1 weight .10000E+01 volume .36707E-02 ppm1 1.126 ppm2 .348 CV 1
ASSI { 481}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HN ))
2.600 .800 .800 peak 481 spectrum 1 weight .10000E+01 volume .29779E-02 ppm1 1.121 ppm2 8.413 CV 1
ASSI { 482}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HN ))
2.700 .900 .900 peak 482 spectrum 1 weight .10000E+01 volume .21384E-02 ppm1 1.124 ppm2 9.338 CV 1
ASSI { 483}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 38 and name HN ))
3.400 1.500 1.500 peak 483 spectrum 1 weight .10000E+01 volume .50820E-03 ppm1 1.124 ppm2 8.926 CV 1
ASSI { 485}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
3.200 1.300 1.300 peak 485 spectrum 1 weight .10000E+01 volume .76688E-03 ppm1 4.895 ppm2 9.341 CV 1
ASSI { 486}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 38 and name HD% )
3.300 1.400 1.400 peak 486 spectrum 1 weight .10000E+01 volume .62177E-03 ppm1 4.893 ppm2 7.322 CV 1
ASSI { 487}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.600 .800 .800 peak 487 spectrum 1 weight .10000E+01 volume .27345E-02 ppm1 4.896 ppm2 8.921 CV 1
ASSI { 488}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 39 and name HN ))
3.100 1.200 1.200 peak 488 spectrum 1 weight .10000E+01 volume .92934E-03 ppm1 4.897 ppm2 8.559 CV 1
ASSI { 489}
(( segid " " and resid 37 and name HB ))
( segid " " and resid 37 and name HG2%)
2.200 .600 .600 peak 489 spectrum 1 weight .10000E+01 volume .72630E-02 ppm1 4.434 ppm2 1.451 CV 1
ASSI { 490}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 37 and name HN ))
3.100 1.200 1.200 peak 490 spectrum 1 weight .10000E+01 volume .88467E-03 ppm1 4.455 ppm2 9.341 CV 1
ASSI { 491}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 16 and name HH2 ))
2.200 .600 .600 peak 491 spectrum 1 weight .10000E+01 volume .72714E-02 ppm1 1.451 ppm2 6.972 CV 1
ASSI { 492}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 16 and name HZ2 ))
2.900 1.100 1.100 peak 492 spectrum 1 weight .10000E+01 volume .13713E-02 ppm1 1.450 ppm2 7.392 CV 1
ASSI { 493}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 16 and name HZ3 ))
2.300 .600 .600 peak 493 spectrum 1 weight .10000E+01 volume .58779E-02 ppm1 1.451 ppm2 6.846 CV 1
ASSI { 494}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HN ))
2.400 .700 .700 peak 494 spectrum 1 weight .10000E+01 volume .38850E-02 ppm1 1.449 ppm2 9.341 CV 1
ASSI { 495}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 38 and name HN ))
2.600 .900 .900 peak 495 spectrum 1 weight .10000E+01 volume .24679E-02 ppm1 1.448 ppm2 8.926 CV 1
ASSI { 496}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 496 spectrum 1 weight .10000E+01 volume .90490E-03 ppm1 4.756 ppm2 8.931 CV 1
ASSI { 497}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
3.000 1.100 1.100 peak 497 spectrum 1 weight .10000E+01 volume .10821E-02 ppm1 4.756 ppm2 8.923 CV 1
ASSI { 498}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 498 spectrum 1 weight .10000E+01 volume .59303E-03 ppm1 4.757 ppm2 8.563 CV 1
ASSI { 499}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
2.300 .600 .600 peak 499 spectrum 1 weight .10000E+01 volume .62818E-02 ppm1 3.356 ppm2 2.893 CV 1
ASSI { 500}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 38 and name HD% )
2.300 .700 .700 peak 500 spectrum 1 weight .10000E+01 volume .54845E-02 ppm1 3.355 ppm2 7.323 CV 1
ASSI { 501}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 38 and name HE% )
3.300 1.300 1.300 peak 501 spectrum 1 weight .10000E+01 volume .69235E-03 ppm1 3.355 ppm2 6.600 CV 1
ASSI { 502}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.800 1.000 1.000 peak 502 spectrum 1 weight .10000E+01 volume .16918E-02 ppm1 3.356 ppm2 8.923 CV 1
ASSI { 503}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.500 1.600 1.600 peak 503 spectrum 1 weight .10000E+01 volume .41214E-03 ppm1 3.358 ppm2 8.563 CV 1
ASSI { 504}
(( segid " " and resid 38 and name HB3 ))
( segid " " and resid 38 and name HD% )
2.400 .700 .700 peak 504 spectrum 1 weight .10000E+01 volume .46122E-02 ppm1 2.892 ppm2 7.323 CV 1
ASSI { 505}
(( segid " " and resid 38 and name HB3 ))
( segid " " and resid 38 and name HE% )
3.300 1.300 1.300 peak 505 spectrum 1 weight .10000E+01 volume .67077E-03 ppm1 2.890 ppm2 6.600 CV 1
ASSI { 506}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
2.700 .900 .900 peak 506 spectrum 1 weight .10000E+01 volume .19728E-02 ppm1 2.894 ppm2 8.923 CV 1
ASSI { 507}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.300 1.300 1.300 peak 507 spectrum 1 weight .10000E+01 volume .67344E-03 ppm1 2.893 ppm2 8.563 CV 1
ASSI { 508}
( segid " " and resid 38 and name HD% )
(( segid " " and resid 38 and name HN ))
2.600 .800 .800 peak 508 spectrum 1 weight .10000E+01 volume .27717E-02 ppm1 7.321 ppm2 8.921 CV 1
ASSI { 509}
( segid " " and resid 38 and name HE% )
( segid " " and resid 27 and name HD% )
3.200 1.200 1.200 peak 509 spectrum 1 weight .10000E+01 volume .82780E-03 ppm1 6.601 ppm2 6.793 CV 1
ASSI { 510}
( segid " " and resid 38 and name HE% )
( segid " " and resid 38 and name HD% )
1.900 .400 .400 peak 510 spectrum 1 weight .10000E+01 volume .18953E-01 ppm1 6.600 ppm2 7.323 CV 1
ASSI { 511}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 38 and name HN ))
3.400 1.400 1.400 peak 511 spectrum 1 weight .10000E+01 volume .56995E-03 ppm1 6.601 ppm2 8.924 CV 1
ASSI { 512}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
2.400 .700 .700 peak 512 spectrum 1 weight .10000E+01 volume .41377E-02 ppm1 4.383 ppm2 1.452 CV 1
OR { 512}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB3 ))
ASSI { 513}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD1%)
2.500 .800 .800 peak 513 spectrum 1 weight .10000E+01 volume .33237E-02 ppm1 4.383 ppm2 .844 CV 1
ASSI { 514}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD2%)
2.400 .700 .700 peak 514 spectrum 1 weight .10000E+01 volume .43541E-02 ppm1 4.382 ppm2 .782 CV 1
ASSI { 515}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG ))
2.700 .900 .900 peak 515 spectrum 1 weight .10000E+01 volume .23270E-02 ppm1 4.383 ppm2 1.503 CV 1
ASSI { 516}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.700 .900 .900 peak 516 spectrum 1 weight .10000E+01 volume .23013E-02 ppm1 4.383 ppm2 8.563 CV 1
ASSI { 517}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.000 .500 .500 peak 517 spectrum 1 weight .10000E+01 volume .11871E-01 ppm1 4.384 ppm2 8.088 CV 1
ASSI { 518}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HD1%)
2.300 .600 .600 peak 518 spectrum 1 weight .10000E+01 volume .59041E-02 ppm1 1.452 ppm2 .839 CV 1
OR { 518}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD1%)
ASSI { 519}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD2%)
2.200 .600 .600 peak 519 spectrum 1 weight .10000E+01 volume .69484E-02 ppm1 1.452 ppm2 .783 CV 1
OR { 519}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HD2%)
ASSI { 520}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.200 .600 .600 peak 520 spectrum 1 weight .10000E+01 volume .78961E-02 ppm1 1.454 ppm2 8.563 CV 1
OR { 520}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 521}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 40 and name HN ))
2.500 .800 .800 peak 521 spectrum 1 weight .10000E+01 volume .33851E-02 ppm1 1.454 ppm2 8.090 CV 1
OR { 521}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
ASSI { 522}
( segid " " and resid 39 and name HD1%)
(( segid " " and resid 39 and name HN ))
2.900 1.100 1.100 peak 522 spectrum 1 weight .10000E+01 volume .13554E-02 ppm1 .843 ppm2 8.563 CV 1
ASSI { 523}
( segid " " and resid 39 and name HD1%)
(( segid " " and resid 40 and name HN ))
2.600 .900 .900 peak 523 spectrum 1 weight .10000E+01 volume .26004E-02 ppm1 .843 ppm2 8.090 CV 1
ASSI { 524}
( segid " " and resid 39 and name HD2%)
(( segid " " and resid 39 and name HN ))
2.900 1.100 1.100 peak 524 spectrum 1 weight .10000E+01 volume .12479E-02 ppm1 .777 ppm2 8.563 CV 1
ASSI { 525}
( segid " " and resid 39 and name HD2%)
(( segid " " and resid 40 and name HN ))
2.700 .900 .900 peak 525 spectrum 1 weight .10000E+01 volume .23299E-02 ppm1 .779 ppm2 8.090 CV 1
ASSI { 526}
(( segid " " and resid 39 and name HG ))
( segid " " and resid 39 and name HD1%)
2.600 .900 .900 peak 526 spectrum 1 weight .10000E+01 volume .25479E-02 ppm1 1.499 ppm2 .839 CV 1
ASSI { 527}
(( segid " " and resid 39 and name HG ))
( segid " " and resid 39 and name HD2%)
2.800 1.000 1.000 peak 527 spectrum 1 weight .10000E+01 volume .16236E-02 ppm1 1.499 ppm2 .783 CV 1
ASSI { 528}
(( segid " " and resid 39 and name HG ))
(( segid " " and resid 39 and name HN ))
2.500 .800 .800 peak 528 spectrum 1 weight .10000E+01 volume .34851E-02 ppm1 1.495 ppm2 8.563 CV 1
ASSI { 529}
(( segid " " and resid 39 and name HG ))
(( segid " " and resid 40 and name HN ))
2.900 1.100 1.100 peak 529 spectrum 1 weight .10000E+01 volume .13349E-02 ppm1 1.497 ppm2 8.090 CV 1
ASSI { 530}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
2.600 .800 .800 peak 530 spectrum 1 weight .10000E+01 volume .28088E-02 ppm1 8.562 ppm2 8.924 CV 1
ASSI { 531}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 28 and name HE% )
2.600 .900 .900 peak 531 spectrum 1 weight .10000E+01 volume .25403E-02 ppm1 3.023 ppm2 7.170 CV 1
ASSI { 532}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 532 spectrum 1 weight .10000E+01 volume .12196E-02 ppm1 3.023 ppm2 2.532 CV 1
ASSI { 533}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
3.300 1.400 1.400 peak 533 spectrum 1 weight .10000E+01 volume .59325E-03 ppm1 3.022 ppm2 2.293 CV 1
ASSI { 534}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.700 .900 .900 peak 534 spectrum 1 weight .10000E+01 volume .21514E-02 ppm1 3.022 ppm2 8.091 CV 1
ASSI { 535}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HB3 ))
3.200 1.300 1.300 peak 535 spectrum 1 weight .10000E+01 volume .81485E-03 ppm1 3.022 ppm2 .703 CV 1
ASSI { 536}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HD2 ))
2.700 .900 .900 peak 536 spectrum 1 weight .10000E+01 volume .21292E-02 ppm1 3.024 ppm2 2.627 CV 1
ASSI { 537}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HD3 ))
2.600 .900 .900 peak 537 spectrum 1 weight .10000E+01 volume .25323E-02 ppm1 3.023 ppm2 2.461 CV 1
ASSI { 538}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HG3 ))
3.400 1.500 1.500 peak 538 spectrum 1 weight .10000E+01 volume .52528E-03 ppm1 3.024 ppm2 .270 CV 1
ASSI { 539}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 28 and name HE% )
2.900 1.000 1.000 peak 539 spectrum 1 weight .10000E+01 volume .14558E-02 ppm1 2.531 ppm2 7.169 CV 1
ASSI { 540}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HB3 ))
2.500 .800 .800 peak 540 spectrum 1 weight .10000E+01 volume .32801E-02 ppm1 2.537 ppm2 2.293 CV 1
ASSI { 541}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.300 .700 .700 peak 541 spectrum 1 weight .10000E+01 volume .52591E-02 ppm1 2.532 ppm2 8.091 CV 1
ASSI { 542}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 43 and name HD1%)
2.800 .900 .900 peak 542 spectrum 1 weight .10000E+01 volume .18824E-02 ppm1 2.531 ppm2 .878 CV 1
ASSI { 543}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 43 and name HD2%)
3.300 1.300 1.300 peak 543 spectrum 1 weight .10000E+01 volume .67091E-03 ppm1 2.532 ppm2 .734 CV 1
ASSI { 544}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 28 and name HE% )
2.700 .900 .900 peak 544 spectrum 1 weight .10000E+01 volume .21504E-02 ppm1 2.287 ppm2 7.168 CV 1
ASSI { 545}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HN ))
2.300 .600 .600 peak 545 spectrum 1 weight .10000E+01 volume .59092E-02 ppm1 2.288 ppm2 8.091 CV 1
ASSI { 546}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 43 and name HD1%)
3.000 1.100 1.100 peak 546 spectrum 1 weight .10000E+01 volume .10856E-02 ppm1 2.300 ppm2 .877 CV 1
ASSI { 547}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
3.000 1.100 1.100 peak 547 spectrum 1 weight .10000E+01 volume .11958E-02 ppm1 3.873 ppm2 8.388 CV 1
ASSI { 548}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 43 and name HN ))
3.100 1.200 1.200 peak 548 spectrum 1 weight .10000E+01 volume .86578E-03 ppm1 3.877 ppm2 7.348 CV 1
ASSI { 549}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 549 spectrum 1 weight .10000E+01 volume .12013E-02 ppm1 3.879 ppm2 7.403 CV 1
ASSI { 550}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 45 and name HD% )
3.300 1.400 1.400 peak 550 spectrum 1 weight .10000E+01 volume .64474E-03 ppm1 3.878 ppm2 7.171 CV 1
ASSI { 551}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HG2 ))
3.000 1.100 1.100 peak 551 spectrum 1 weight .10000E+01 volume .11921E-02 ppm1 .838 ppm2 .528 CV 1
ASSI { 552}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HG3 ))
2.900 1.100 1.100 peak 552 spectrum 1 weight .10000E+01 volume .12880E-02 ppm1 .838 ppm2 .275 CV 1
ASSI { 553}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HG2 ))
3.100 1.200 1.200 peak 553 spectrum 1 weight .10000E+01 volume .93796E-03 ppm1 .704 ppm2 .528 CV 1
ASSI { 555}
(( segid " " and resid 41 and name HD2 ))
( segid " " and resid 28 and name HD% )
3.000 1.100 1.100 peak 555 spectrum 1 weight .10000E+01 volume .12457E-02 ppm1 2.622 ppm2 6.963 CV 1
ASSI { 556}
(( segid " " and resid 41 and name HD2 ))
( segid " " and resid 28 and name HE% )
3.100 1.200 1.200 peak 556 spectrum 1 weight .10000E+01 volume .91205E-03 ppm1 2.622 ppm2 7.168 CV 1
ASSI { 557}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 40 and name HN ))
3.200 1.300 1.300 peak 557 spectrum 1 weight .10000E+01 volume .71139E-03 ppm1 2.624 ppm2 8.088 CV 1
ASSI { 558}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 42 and name HN ))
3.300 1.400 1.400 peak 558 spectrum 1 weight .10000E+01 volume .60164E-03 ppm1 2.624 ppm2 8.388 CV 1
ASSI { 559}
(( segid " " and resid 41 and name HD3 ))
( segid " " and resid 28 and name HD% )
3.000 1.100 1.100 peak 559 spectrum 1 weight .10000E+01 volume .11038E-02 ppm1 2.465 ppm2 6.963 CV 1
ASSI { 560}
(( segid " " and resid 41 and name HD3 ))
( segid " " and resid 28 and name HE% )
3.200 1.300 1.300 peak 560 spectrum 1 weight .10000E+01 volume .76300E-03 ppm1 2.465 ppm2 7.168 CV 1
ASSI { 561}
(( segid " " and resid 41 and name HD3 ))
(( segid " " and resid 40 and name HN ))
3.400 1.500 1.500 peak 561 spectrum 1 weight .10000E+01 volume .50269E-03 ppm1 2.466 ppm2 8.089 CV 1
ASSI { 562}
(( segid " " and resid 41 and name HD3 ))
(( segid " " and resid 42 and name HN ))
3.100 1.200 1.200 peak 562 spectrum 1 weight .10000E+01 volume .96488E-03 ppm1 2.466 ppm2 8.388 CV 1
ASSI { 563}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 16 and name HE3 ))
3.400 1.500 1.500 peak 563 spectrum 1 weight .10000E+01 volume .49557E-03 ppm1 .553 ppm2 7.342 CV 1
ASSI { 564}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 16 and name HH2 ))
2.900 1.000 1.000 peak 564 spectrum 1 weight .10000E+01 volume .13930E-02 ppm1 .554 ppm2 6.965 CV 1
ASSI { 565}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HG3 ))
2.600 .800 .800 peak 565 spectrum 1 weight .10000E+01 volume .27470E-02 ppm1 .529 ppm2 .275 CV 1
ASSI { 566}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 16 and name HE3 ))
3.300 1.300 1.300 peak 566 spectrum 1 weight .10000E+01 volume .67511E-03 ppm1 .271 ppm2 7.342 CV 1
ASSI { 567}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 16 and name HH2 ))
3.300 1.400 1.400 peak 567 spectrum 1 weight .10000E+01 volume .62669E-03 ppm1 .271 ppm2 6.965 CV 1
ASSI { 568}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
3.000 1.100 1.100 peak 568 spectrum 1 weight .10000E+01 volume .10942E-02 ppm1 3.937 ppm2 8.388 CV 1
ASSI { 569}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HD1%)
2.700 .900 .900 peak 569 spectrum 1 weight .10000E+01 volume .19242E-02 ppm1 4.172 ppm2 .874 CV 1
ASSI { 570}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HD2%)
2.200 .600 .600 peak 570 spectrum 1 weight .10000E+01 volume .75920E-02 ppm1 4.172 ppm2 .737 CV 1
ASSI { 571}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
2.600 .800 .800 peak 571 spectrum 1 weight .10000E+01 volume .26530E-02 ppm1 4.172 ppm2 7.346 CV 1
ASSI { 572}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HN ))
2.500 .800 .800 peak 572 spectrum 1 weight .10000E+01 volume .32355E-02 ppm1 4.173 ppm2 7.406 CV 1
ASSI { 573}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 43 and name HD1%)
2.600 .900 .900 peak 573 spectrum 1 weight .10000E+01 volume .26021E-02 ppm1 1.431 ppm2 .875 CV 1
ASSI { 574}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 43 and name HD2%)
2.400 .700 .700 peak 574 spectrum 1 weight .10000E+01 volume .44165E-02 ppm1 1.431 ppm2 .736 CV 1
ASSI { 575}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
2.500 .800 .800 peak 575 spectrum 1 weight .10000E+01 volume .37000E-02 ppm1 1.443 ppm2 7.346 CV 1
ASSI { 576}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 44 and name HN ))
2.800 1.000 1.000 peak 576 spectrum 1 weight .10000E+01 volume .16801E-02 ppm1 1.443 ppm2 7.406 CV 1
ASSI { 577}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 45 and name HD% )
2.900 1.100 1.100 peak 577 spectrum 1 weight .10000E+01 volume .12845E-02 ppm1 1.446 ppm2 7.169 CV 1
ASSI { 578}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 45 and name HE% )
3.400 1.500 1.500 peak 578 spectrum 1 weight .10000E+01 volume .50714E-03 ppm1 1.446 ppm2 7.259 CV 1
ASSI { 579}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 43 and name HD1%)
2.400 .700 .700 peak 579 spectrum 1 weight .10000E+01 volume .40286E-02 ppm1 1.365 ppm2 .875 CV 1
ASSI { 580}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 43 and name HD2%)
2.300 .600 .600 peak 580 spectrum 1 weight .10000E+01 volume .59337E-02 ppm1 1.366 ppm2 .736 CV 1
ASSI { 581}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HN ))
2.500 .800 .800 peak 581 spectrum 1 weight .10000E+01 volume .32158E-02 ppm1 1.367 ppm2 7.346 CV 1
ASSI { 582}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 582 spectrum 1 weight .10000E+01 volume .10799E-02 ppm1 1.370 ppm2 7.406 CV 1
ASSI { 583}
( segid " " and resid 43 and name HD1%)
( segid " " and resid 43 and name HD2%)
1.900 .400 .400 peak 583 spectrum 1 weight .10000E+01 volume .18037E-01 ppm1 .876 ppm2 .738 CV 1
ASSI { 584}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 43 and name HN ))
2.700 .900 .900 peak 584 spectrum 1 weight .10000E+01 volume .22040E-02 ppm1 .876 ppm2 7.346 CV 1
ASSI { 585}
( segid " " and resid 43 and name HD1%)
( segid " " and resid 45 and name HE% )
3.200 1.300 1.300 peak 585 spectrum 1 weight .10000E+01 volume .73774E-03 ppm1 .877 ppm2 7.259 CV 1
ASSI { 586}
( segid " " and resid 43 and name HD2%)
(( segid " " and resid 43 and name HN ))
2.800 1.000 1.000 peak 586 spectrum 1 weight .10000E+01 volume .16512E-02 ppm1 .738 ppm2 7.346 CV 1
ASSI { 587}
( segid " " and resid 43 and name HD2%)
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 587 spectrum 1 weight .10000E+01 volume .11273E-02 ppm1 .737 ppm2 7.406 CV 1
ASSI { 588}
(( segid " " and resid 43 and name HG ))
( segid " " and resid 43 and name HD1%)
2.500 .800 .800 peak 588 spectrum 1 weight .10000E+01 volume .33790E-02 ppm1 1.589 ppm2 .875 CV 1
ASSI { 589}
(( segid " " and resid 43 and name HG ))
( segid " " and resid 43 and name HD2%)
2.600 .900 .900 peak 589 spectrum 1 weight .10000E+01 volume .26036E-02 ppm1 1.589 ppm2 .737 CV 1
ASSI { 590}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 43 and name HN ))
2.500 .800 .800 peak 590 spectrum 1 weight .10000E+01 volume .32791E-02 ppm1 1.587 ppm2 7.346 CV 1
ASSI { 591}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 44 and name HN ))
2.800 1.000 1.000 peak 591 spectrum 1 weight .10000E+01 volume .16120E-02 ppm1 1.589 ppm2 7.406 CV 1
ASSI { 592}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
2.400 .700 .700 peak 592 spectrum 1 weight .10000E+01 volume .42320E-02 ppm1 7.346 ppm2 8.390 CV 1
ASSI { 593}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 44 and name HB% )
1.900 .500 .500 peak 593 spectrum 1 weight .10000E+01 volume .15576E-01 ppm1 4.128 ppm2 1.115 CV 1
ASSI { 594}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HN ))
2.700 .900 .900 peak 594 spectrum 1 weight .10000E+01 volume .21257E-02 ppm1 4.122 ppm2 7.407 CV 1
ASSI { 595}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
2.400 .700 .700 peak 595 spectrum 1 weight .10000E+01 volume .41149E-02 ppm1 4.122 ppm2 7.784 CV 1
ASSI { 596}
( segid " " and resid 44 and name HB% )
(( segid " " and resid 44 and name HN ))
2.100 .500 .500 peak 596 spectrum 1 weight .10000E+01 volume .10346E-01 ppm1 1.115 ppm2 7.407 CV 1
ASSI { 597}
( segid " " and resid 44 and name HB% )
( segid " " and resid 45 and name HD% )
2.800 1.000 1.000 peak 597 spectrum 1 weight .10000E+01 volume .18604E-02 ppm1 1.117 ppm2 7.173 CV 1
ASSI { 598}
( segid " " and resid 44 and name HB% )
( segid " " and resid 45 and name HE% )
3.000 1.100 1.100 peak 598 spectrum 1 weight .10000E+01 volume .11151E-02 ppm1 1.117 ppm2 7.262 CV 1
ASSI { 599}
( segid " " and resid 44 and name HB% )
(( segid " " and resid 45 and name HN ))
2.500 .800 .800 peak 599 spectrum 1 weight .10000E+01 volume .31250E-02 ppm1 1.116 ppm2 7.785 CV 1
ASSI { 600}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
2.900 1.000 1.000 peak 600 spectrum 1 weight .10000E+01 volume .13867E-02 ppm1 7.407 ppm2 7.785 CV 1
ASSI { 601}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 45 and name HD% )
2.800 1.000 1.000 peak 601 spectrum 1 weight .10000E+01 volume .16284E-02 ppm1 4.662 ppm2 7.171 CV 1
ASSI { 602}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
2.900 1.000 1.000 peak 602 spectrum 1 weight .10000E+01 volume .15310E-02 ppm1 4.662 ppm2 7.787 CV 1
ASSI { 603}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.500 .800 .800 peak 603 spectrum 1 weight .10000E+01 volume .31266E-02 ppm1 4.666 ppm2 7.977 CV 1
ASSI { 604}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 45 and name HD% )
2.400 .700 .700 peak 604 spectrum 1 weight .10000E+01 volume .42633E-02 ppm1 3.145 ppm2 7.170 CV 1
ASSI { 605}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
2.900 1.000 1.000 peak 605 spectrum 1 weight .10000E+01 volume .14238E-02 ppm1 3.144 ppm2 7.787 CV 1
ASSI { 606}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 46 and name HN ))
3.200 1.300 1.300 peak 606 spectrum 1 weight .10000E+01 volume .74925E-03 ppm1 3.148 ppm2 7.977 CV 1
ASSI { 607}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 45 and name HD% )
2.500 .800 .800 peak 607 spectrum 1 weight .10000E+01 volume .34480E-02 ppm1 2.932 ppm2 7.170 CV 1
ASSI { 608}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
2.600 .800 .800 peak 608 spectrum 1 weight .10000E+01 volume .28570E-02 ppm1 2.933 ppm2 7.788 CV 1
ASSI { 609}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 46 and name HN ))
3.400 1.400 1.400 peak 609 spectrum 1 weight .10000E+01 volume .57459E-03 ppm1 2.938 ppm2 7.978 CV 1
ASSI { 610}
( segid " " and resid 45 and name HD% )
( segid " " and resid 45 and name HE% )
1.800 .400 .400 peak 610 spectrum 1 weight .10000E+01 volume .23835E-01 ppm1 7.173 ppm2 7.261 CV 1
ASSI { 611}
( segid " " and resid 45 and name HD% )
(( segid " " and resid 45 and name HN ))
3.000 1.200 1.200 peak 611 spectrum 1 weight .10000E+01 volume .10386E-02 ppm1 7.168 ppm2 7.790 CV 1
ASSI { 612}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 16 and name HE1 ))
3.400 1.500 1.500 peak 612 spectrum 1 weight .10000E+01 volume .51904E-03 ppm1 .842 ppm2 10.029 CV 1
ASSI { 613}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
2.500 .800 .800 peak 613 spectrum 1 weight .10000E+01 volume .33791E-02 ppm1 7.345 ppm2 7.408 CV 1
ASSI { 614}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
3.100 1.200 1.200 peak 614 spectrum 1 weight .10000E+01 volume .94231E-03 ppm1 7.789 ppm2 7.977 CV 1
ASSI { 615}
( segid " " and resid 45 and name HD% )
(( segid " " and resid 46 and name HN ))
3.500 1.500 1.500 peak 615 spectrum 1 weight .10000E+01 volume .43314E-03 ppm1 7.172 ppm2 7.983 CV 1
ASSI { 616}
(( segid " " and resid 41 and name HB2 ))
( segid " " and resid 45 and name HD% )
3.000 1.100 1.100 peak 616 spectrum 1 weight .10000E+01 volume .10746E-02 ppm1 .842 ppm2 7.173 CV 1
ASSI { 617}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 45 and name HN ))
3.300 1.400 1.400 peak 617 spectrum 1 weight .10000E+01 volume .59809E-03 ppm1 1.368 ppm2 7.785 CV 1
ASSI { 3}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.700 .900 .900 peak 3 spectrum 2 weight .10000E+01 volume .15930E-02 ppm1 1.732 ppm2 4.165 CV 1
ASSI { 4}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.600 1.700 1.700 peak 4 spectrum 2 weight .10000E+01 volume .29531E-03 ppm1 1.732 ppm2 5.729 CV 1
ASSI { 5}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 16 and name HA ))
3.700 1.700 1.700 peak 5 spectrum 2 weight .10000E+01 volume .27750E-03 ppm1 1.024 ppm2 5.730 CV 1
ASSI { 10}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 16 and name HA ))
3.700 1.700 1.700 peak 10 spectrum 2 weight .10000E+01 volume .27235E-03 ppm1 .703 ppm2 5.732 CV 1
ASSI { 17}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 12 and name HA ))
2.700 .900 .900 peak 17 spectrum 2 weight .10000E+01 volume .18789E-02 ppm1 3.329 ppm2 4.165 CV 1
ASSI { 18}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 18 spectrum 2 weight .10000E+01 volume .11773E-02 ppm1 2.822 ppm2 4.165 CV 1
ASSI { 24}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.600 .800 .800 peak 24 spectrum 2 weight .10000E+01 volume .24792E-02 ppm1 3.180 ppm2 4.242 CV 1
ASSI { 27}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HA ))
2.700 .900 .900 peak 27 spectrum 2 weight .10000E+01 volume .17520E-02 ppm1 2.807 ppm2 4.242 CV 1
ASSI { 31}
(( segid " " and resid 15 and name HA2 ))
(( segid " " and resid 15 and name HA1 ))
2.700 .900 .900 peak 31 spectrum 2 weight .10000E+01 volume .15939E-02 ppm1 3.184 ppm2 3.931 CV 1
ASSI { 34}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HZ3 ))
3.200 1.300 1.300 peak 34 spectrum 2 weight .10000E+01 volume .59535E-03 ppm1 5.735 ppm2 6.851 CV 1
ASSI { 35}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 30 and name HA ))
2.700 .900 .900 peak 35 spectrum 2 weight .10000E+01 volume .18302E-02 ppm1 5.733 ppm2 3.774 CV 1
ASSI { 36}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.000 1.200 1.200 peak 36 spectrum 2 weight .10000E+01 volume .87220E-03 ppm1 3.248 ppm2 5.736 CV 1
ASSI { 39}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HA ))
2.900 1.000 1.000 peak 39 spectrum 2 weight .10000E+01 volume .12317E-02 ppm1 2.960 ppm2 5.736 CV 1
ASSI { 50}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.600 .800 .800 peak 50 spectrum 2 weight .10000E+01 volume .24673E-02 ppm1 1.345 ppm2 4.400 CV 1
ASSI { 51}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 27 and name HD% )
3.400 1.400 1.400 peak 51 spectrum 2 weight .10000E+01 volume .47978E-03 ppm1 1.345 ppm2 6.799 CV 1
ASSI { 54}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 54 spectrum 2 weight .10000E+01 volume .15372E-02 ppm1 .445 ppm2 4.400 CV 1
ASSI { 59}
(( segid " " and resid 19 and name HG2 ))
( segid " " and resid 27 and name HE% )
2.500 .800 .800 peak 59 spectrum 2 weight .10000E+01 volume .31196E-02 ppm1 1.876 ppm2 6.850 CV 1
OR { 59}
(( segid " " and resid 19 and name HG3 ))
( segid " " and resid 27 and name HE% )
ASSI { 61}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 28 and name HA ))
3.500 1.500 1.500 peak 61 spectrum 2 weight .10000E+01 volume .37872E-03 ppm1 1.870 ppm2 5.274 CV 1
OR { 61}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 28 and name HA ))
ASSI { 62}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 26 and name HA ))
2.400 .700 .700 peak 62 spectrum 2 weight .10000E+01 volume .33512E-02 ppm1 4.956 ppm2 4.489 CV 1
ASSI { 64}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HA ))
2.700 .900 .900 peak 64 spectrum 2 weight .10000E+01 volume .17409E-02 ppm1 3.787 ppm2 4.960 CV 1
ASSI { 65}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HA ))
2.300 .600 .600 peak 65 spectrum 2 weight .10000E+01 volume .50124E-02 ppm1 1.126 ppm2 4.960 CV 1
ASSI { 66}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 26 and name HA ))
2.600 .900 .900 peak 66 spectrum 2 weight .10000E+01 volume .19841E-02 ppm1 1.125 ppm2 4.484 CV 1
ASSI { 68}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 68 spectrum 2 weight .10000E+01 volume .12868E-02 ppm1 3.288 ppm2 4.797 CV 1
ASSI { 71}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HA ))
2.900 1.100 1.100 peak 71 spectrum 2 weight .10000E+01 volume .10536E-02 ppm1 2.686 ppm2 4.797 CV 1
ASSI { 74}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
2.100 .600 .600 peak 74 spectrum 2 weight .10000E+01 volume .76745E-02 ppm1 2.041 ppm2 4.143 CV 1
OR { 74}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
ASSI { 75}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HA ))
2.500 .800 .800 peak 75 spectrum 2 weight .10000E+01 volume .26713E-02 ppm1 2.240 ppm2 4.143 CV 1
OR { 75}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HA ))
ASSI { 76}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 76 spectrum 2 weight .10000E+01 volume .13447E-02 ppm1 2.996 ppm2 4.927 CV 1
ASSI { 77}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HA ))
2.600 .800 .800 peak 77 spectrum 2 weight .10000E+01 volume .22817E-02 ppm1 2.775 ppm2 4.926 CV 1
ASSI { 78}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 24 and name HA1 ))
2.800 .900 .900 peak 78 spectrum 2 weight .10000E+01 volume .15671E-02 ppm1 3.551 ppm2 4.171 CV 1
ASSI { 82}
(( segid " " and resid 25 and name HG3 ))
( segid " " and resid 38 and name HE% )
3.200 1.300 1.300 peak 82 spectrum 2 weight .10000E+01 volume .58328E-03 ppm1 2.435 ppm2 6.607 CV 1
OR { 82}
(( segid " " and resid 25 and name HG2 ))
( segid " " and resid 38 and name HE% )
ASSI { 84}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 20 and name HA ))
2.900 1.000 1.000 peak 84 spectrum 2 weight .10000E+01 volume .12366E-02 ppm1 .878 ppm2 4.960 CV 1
ASSI { 97}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HE% )
2.500 .800 .800 peak 97 spectrum 2 weight .10000E+01 volume .30064E-02 ppm1 2.264 ppm2 6.850 CV 1
ASSI { 104}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HZ ))
2.900 1.000 1.000 peak 104 spectrum 2 weight .10000E+01 volume .12085E-02 ppm1 6.791 ppm2 7.076 CV 1
ASSI { 107}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 18 and name HA ))
3.200 1.300 1.300 peak 107 spectrum 2 weight .10000E+01 volume .60486E-03 ppm1 5.280 ppm2 4.797 CV 1
ASSI { 109}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HE% )
3.400 1.400 1.400 peak 109 spectrum 2 weight .10000E+01 volume .45303E-03 ppm1 5.282 ppm2 7.167 CV 1
ASSI { 112}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HA ))
2.900 1.100 1.100 peak 112 spectrum 2 weight .10000E+01 volume .11504E-02 ppm1 3.161 ppm2 5.277 CV 1
ASSI { 115}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 16 and name HZ3 ))
2.300 .700 .700 peak 115 spectrum 2 weight .10000E+01 volume .46062E-02 ppm1 3.032 ppm2 6.851 CV 1
ASSI { 116}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HA ))
3.000 1.100 1.100 peak 116 spectrum 2 weight .10000E+01 volume .93026E-03 ppm1 3.032 ppm2 5.277 CV 1
ASSI { 117}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 28 and name HD% )
2.400 .700 .700 peak 117 spectrum 2 weight .10000E+01 volume .36310E-02 ppm1 3.031 ppm2 6.972 CV 1
ASSI { 119}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 28 and name HZ ))
2.200 .600 .600 peak 119 spectrum 2 weight .10000E+01 volume .58128E-02 ppm1 6.972 ppm2 7.154 CV 1
ASSI { 120}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 16 and name HZ3 ))
3.400 1.400 1.400 peak 120 spectrum 2 weight .10000E+01 volume .45074E-03 ppm1 4.455 ppm2 6.846 CV 1
ASSI { 121}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 36 and name HA ))
2.300 .700 .700 peak 121 spectrum 2 weight .10000E+01 volume .44858E-02 ppm1 4.458 ppm2 5.445 CV 1
ASSI { 122}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 16 and name HZ3 ))
2.900 1.000 1.000 peak 122 spectrum 2 weight .10000E+01 volume .12347E-02 ppm1 1.675 ppm2 6.850 CV 1
ASSI { 123}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 36 and name HA ))
3.500 1.500 1.500 peak 123 spectrum 2 weight .10000E+01 volume .40095E-03 ppm1 1.676 ppm2 5.445 CV 1
ASSI { 129}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 36 and name HA ))
2.800 1.000 1.000 peak 129 spectrum 2 weight .10000E+01 volume .14499E-02 ppm1 .677 ppm2 5.446 CV 1
ASSI { 132}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 27 and name HE% )
2.600 .800 .800 peak 132 spectrum 2 weight .10000E+01 volume .22921E-02 ppm1 .330 ppm2 6.850 CV 1
ASSI { 134}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HA ))
3.500 1.600 1.600 peak 134 spectrum 2 weight .10000E+01 volume .35353E-03 ppm1 .331 ppm2 3.773 CV 1
ASSI { 135}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 36 and name HA ))
2.900 1.000 1.000 peak 135 spectrum 2 weight .10000E+01 volume .11594E-02 ppm1 .330 ppm2 5.445 CV 1
ASSI { 137}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 16 and name HD1 ))
3.500 1.500 1.500 peak 137 spectrum 2 weight .10000E+01 volume .35837E-03 ppm1 3.773 ppm2 7.034 CV 1
ASSI { 139}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 16 and name HZ3 ))
3.400 1.400 1.400 peak 139 spectrum 2 weight .10000E+01 volume .46157E-03 ppm1 3.777 ppm2 6.851 CV 1
ASSI { 140}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.600 1.700 1.700 peak 140 spectrum 2 weight .10000E+01 volume .29220E-03 ppm1 1.886 ppm2 5.729 CV 1
ASSI { 142}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.800 1.000 1.000 peak 142 spectrum 2 weight .10000E+01 volume .13587E-02 ppm1 1.888 ppm2 3.773 CV 1
ASSI { 143}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 16 and name HA ))
3.600 1.600 1.600 peak 143 spectrum 2 weight .10000E+01 volume .32536E-03 ppm1 .103 ppm2 5.746 CV 1
ASSI { 145}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
2.900 1.100 1.100 peak 145 spectrum 2 weight .10000E+01 volume .11209E-02 ppm1 .104 ppm2 3.773 CV 1
ASSI { 146}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HA ))
2.200 .600 .600 peak 146 spectrum 2 weight .10000E+01 volume .60767E-02 ppm1 3.032 ppm2 4.214 CV 1
OR { 146}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HA ))
ASSI { 149}
(( segid " " and resid 32 and name HG12))
( segid " " and resid 14 and name HE% )
3.400 1.400 1.400 peak 149 spectrum 2 weight .10000E+01 volume .43908E-03 ppm1 1.426 ppm2 6.814 CV 1
ASSI { 150}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 32 and name HA ))
3.100 1.200 1.200 peak 150 spectrum 2 weight .10000E+01 volume .73887E-03 ppm1 1.437 ppm2 3.866 CV 1
ASSI { 151}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 32 and name HA ))
2.700 .900 .900 peak 151 spectrum 2 weight .10000E+01 volume .17167E-02 ppm1 1.182 ppm2 3.868 CV 1
ASSI { 152}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HA ))
2.300 .600 .600 peak 152 spectrum 2 weight .10000E+01 volume .51865E-02 ppm1 .796 ppm2 3.867 CV 1
ASSI { 153}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 31 and name HA ))
2.900 1.100 1.100 peak 153 spectrum 2 weight .10000E+01 volume .10701E-02 ppm1 3.882 ppm2 4.213 CV 1
ASSI { 154}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
2.500 .800 .800 peak 154 spectrum 2 weight .10000E+01 volume .28151E-02 ppm1 1.649 ppm2 3.881 CV 1
ASSI { 155}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
2.700 .900 .900 peak 155 spectrum 2 weight .10000E+01 volume .17923E-02 ppm1 1.532 ppm2 3.881 CV 1
ASSI { 156}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 34 and name HA ))
2.700 .900 .900 peak 156 spectrum 2 weight .10000E+01 volume .17843E-02 ppm1 2.047 ppm2 3.881 CV 1
OR { 156}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 34 and name HA ))
ASSI { 157}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HA ))
2.600 .900 .900 peak 157 spectrum 2 weight .10000E+01 volume .19854E-02 ppm1 1.187 ppm2 3.883 CV 1
OR { 157}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HA ))
ASSI { 158}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 158 spectrum 2 weight .10000E+01 volume .10339E-02 ppm1 1.785 ppm2 4.810 CV 1
ASSI { 159}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HA ))
3.100 1.200 1.200 peak 159 spectrum 2 weight .10000E+01 volume .82485E-03 ppm1 1.583 ppm2 4.809 CV 1
ASSI { 160}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HA ))
3.300 1.400 1.400 peak 160 spectrum 2 weight .10000E+01 volume .52255E-03 ppm1 1.392 ppm2 4.809 CV 1
OR { 160}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HA ))
ASSI { 167}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HA ))
2.300 .600 .600 peak 167 spectrum 2 weight .10000E+01 volume .48991E-02 ppm1 4.041 ppm2 5.445 CV 1
ASSI { 170}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HA ))
2.200 .600 .600 peak 170 spectrum 2 weight .10000E+01 volume .68359E-02 ppm1 1.126 ppm2 5.445 CV 1
ASSI { 171}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HB ))
2.100 .600 .600 peak 171 spectrum 2 weight .10000E+01 volume .77543E-02 ppm1 1.125 ppm2 4.042 CV 1
ASSI { 172}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 38 and name HE% )
3.500 1.600 1.600 peak 172 spectrum 2 weight .10000E+01 volume .34419E-03 ppm1 1.126 ppm2 6.607 CV 1
ASSI { 174}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 16 and name HE3 ))
2.900 1.000 1.000 peak 174 spectrum 2 weight .10000E+01 volume .11982E-02 ppm1 1.456 ppm2 7.354 CV 1
ASSI { 179}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HA ))
2.500 .800 .800 peak 179 spectrum 2 weight .10000E+01 volume .25715E-02 ppm1 1.458 ppm2 4.909 CV 1
ASSI { 191}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 28 and name HD% )
3.500 1.500 1.500 peak 191 spectrum 2 weight .10000E+01 volume .39108E-03 ppm1 2.287 ppm2 6.972 CV 1
ASSI { 194}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 16 and name HZ2 ))
3.500 1.500 1.500 peak 194 spectrum 2 weight .10000E+01 volume .40323E-03 ppm1 .821 ppm2 7.384 CV 1
ASSI { 195}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HA ))
2.400 .700 .700 peak 195 spectrum 2 weight .10000E+01 volume .37760E-02 ppm1 .837 ppm2 3.860 CV 1
ASSI { 196}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HD2 ))
3.400 1.400 1.400 peak 196 spectrum 2 weight .10000E+01 volume .43983E-03 ppm1 .831 ppm2 2.619 CV 1
ASSI { 197}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HD3 ))
3.600 1.600 1.600 peak 197 spectrum 2 weight .10000E+01 volume .31130E-03 ppm1 .833 ppm2 2.456 CV 1
ASSI { 198}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HD2 ))
3.400 1.400 1.400 peak 198 spectrum 2 weight .10000E+01 volume .44226E-03 ppm1 .712 ppm2 2.619 CV 1
ASSI { 199}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HD3 ))
3.100 1.200 1.200 peak 199 spectrum 2 weight .10000E+01 volume .74766E-03 ppm1 .712 ppm2 2.456 CV 1
ASSI { 202}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 41 and name HA ))
3.600 1.600 1.600 peak 202 spectrum 2 weight .10000E+01 volume .31287E-03 ppm1 2.615 ppm2 3.860 CV 1
ASSI { 205}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HA ))
3.500 1.500 1.500 peak 205 spectrum 2 weight .10000E+01 volume .37734E-03 ppm1 .530 ppm2 3.860 CV 1
ASSI { 206}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HD2 ))
3.300 1.300 1.300 peak 206 spectrum 2 weight .10000E+01 volume .56789E-03 ppm1 .527 ppm2 2.619 CV 1
ASSI { 207}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HD3 ))
3.200 1.300 1.300 peak 207 spectrum 2 weight .10000E+01 volume .64596E-03 ppm1 .527 ppm2 2.457 CV 1
ASSI { 210}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HA ))
3.400 1.400 1.400 peak 210 spectrum 2 weight .10000E+01 volume .47967E-03 ppm1 .273 ppm2 3.863 CV 1
ASSI { 211}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HD2 ))
3.200 1.300 1.300 peak 211 spectrum 2 weight .10000E+01 volume .68090E-03 ppm1 .268 ppm2 2.619 CV 1
ASSI { 212}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HD3 ))
3.200 1.300 1.300 peak 212 spectrum 2 weight .10000E+01 volume .65081E-03 ppm1 .268 ppm2 2.457 CV 1
ASSI { 213}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HA ))
2.800 1.000 1.000 peak 213 spectrum 2 weight .10000E+01 volume .15521E-02 ppm1 1.426 ppm2 4.161 CV 1
ASSI { 215}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HA ))
2.600 .800 .800 peak 215 spectrum 2 weight .10000E+01 volume .21848E-02 ppm1 1.365 ppm2 4.161 CV 1
ASSI { 219}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 43 and name HA ))
2.800 1.000 1.000 peak 219 spectrum 2 weight .10000E+01 volume .13793E-02 ppm1 1.602 ppm2 4.161 CV 1
!ambiguous
ASSI { 618}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 618 spectrum 1 weight .10000E+01 volume .17885E-02 ppm1 6.790 ppm2 9.186 CV 1
OR { 618}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 21 and name HN ))
ASSI { 620}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 620 spectrum 1 weight .10000E+01 volume .17644E-02 ppm1 6.845 ppm2 9.186 CV 1
OR { 620}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 21 and name HN ))
ASSI { 622}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.700 .900 .900 peak 622 spectrum 1 weight .10000E+01 volume .20947E-02 ppm1 4.479 ppm2 9.186 CV 1
OR { 622}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 21 and name HN ))
ASSI { 624}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.000 .500 .500 peak 624 spectrum 1 weight .10000E+01 volume .13336E-01 ppm1 4.466 ppm2 8.330 CV 1
OR { 624}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
ASSI { 626}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 626 spectrum 1 weight .10000E+01 volume .79389E-03 ppm1 1.878 ppm2 9.186 CV 1
OR { 626}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 29 and name HN ))
OR { 626}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 628}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 20 and name HG2%)
2.300 .700 .700 peak 628 spectrum 1 weight .10000E+01 volume .57024E-02 ppm1 4.472 ppm2 1.122 CV 1
OR { 628}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 36 and name HG2%)
ASSI { 630}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 28 and name HD% )
2.300 .700 .700 peak 630 spectrum 1 weight .10000E+01 volume .53666E-02 ppm1 3.029 ppm2 6.966 CV 1
OR { 630}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 28 and name HD% )
ASSI { 632}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 632 spectrum 1 weight .10000E+01 volume .17044E-02 ppm1 3.878 ppm2 7.663 CV 1
OR { 632}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 33 and name HN ))
ASSI { 634}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.200 .600 .600 peak 634 spectrum 1 weight .10000E+01 volume .74816E-02 ppm1 3.888 ppm2 7.440 CV 1
OR { 634}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 34 and name HN ))
Contact the webmaster for help, if required. Saturday, May 11, 2024 5:16:24 AM GMT (wattos1)