NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15742 |
1ywj   |
6558 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! Unambiguous distance restraints
ASSI { 4}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HB2 ))
1.400 0.200 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.43452E-01 ppm1 2.109 ppm2 2.073 CV 1
ASSI { 6}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HA1 ))
1.700 0.400 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17933E-01 ppm1 3.616 ppm2 4.311 CV 1
ASSI { 10}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HB1 ))
1.700 0.400 0.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11946E-01 ppm1 3.140 ppm2 3.649 CV 1
ASSI { 16}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB1 ))
1.800 0.400 0.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.98216E-02 ppm1 1.229 ppm2 2.577 CV 1
ASSI { 17}
(( segid " " and resid 34 and name HB ))
( segid " " and resid 34 and name HG2%)
2.000 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.97389E-02 ppm1 4.215 ppm2 0.968 CV 1
ASSI { 18}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HB2 ))
2.000 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.95734E-02 ppm1 1.020 ppm2 1.280 CV 1
ASSI { 20}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HB1 ))
1.600 0.300 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.84009E-02 ppm1 0.049 ppm2 2.241 CV 1
ASSI { 22}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB1 ))
2.100 0.500 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.80282E-02 ppm1 4.825 ppm2 2.380 CV 1
ASSI { 25}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.77662E-02 ppm1 4.615 ppm2 2.709 CV 1
ASSI { 29}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.70625E-02 ppm1 1.783 ppm2 4.462 CV 1
ASSI { 30}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 31 and name HB1 ))
2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.69798E-02 ppm1 1.704 ppm2 2.277 CV 1
ASSI { 32}
( segid " " and resid 30 and name HE% )
( segid " " and resid 30 and name HD% )
2.200 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.64558E-02 ppm1 6.581 ppm2 6.917 CV 1
ASSI { 33}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 38 and name HA ))
2.300 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.64144E-02 ppm1 4.235 ppm2 4.768 CV 1
ASSI { 34}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HG1 ))
2.200 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.61800E-02 ppm1 2.767 ppm2 1.610 CV 1
OR { 34}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HG2 ))
ASSI { 35}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HB2 ))
2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.60007E-02 ppm1 1.191 ppm2 2.067 CV 1
ASSI { 37}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HG2 ))
1.800 0.400 0.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.58211E-02 ppm1 0.652 ppm2 0.321 CV 1
ASSI { 38}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB ))
2.400 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.58073E-02 ppm1 3.707 ppm2 4.270 CV 1
ASSI { 39}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HD1 ))
1.800 0.400 0.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.57521E-02 ppm1 2.277 ppm2 2.546 CV 1
ASSI { 40}
(( segid " " and resid 27 and name HB ))
( segid " " and resid 27 and name HG2%)
2.300 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.56418E-02 ppm1 3.962 ppm2 0.858 CV 1
ASSI { 41}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.53660E-02 ppm1 3.615 ppm2 2.058 CV 1
ASSI { 42}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HA ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.53523E-02 ppm1 1.212 ppm2 3.948 CV 1
ASSI { 44}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HB ))
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.53247E-02 ppm1 1.262 ppm2 4.183 CV 1
ASSI { 46}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HB ))
2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.52281E-02 ppm1 1.379 ppm2 4.269 CV 1
ASSI { 47}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.52144E-02 ppm1 4.189 ppm2 4.794 CV 1
ASSI { 49}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HD1 ))
2.000 0.500 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.50627E-02 ppm1 2.979 ppm2 2.545 CV 1
ASSI { 50}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.200 0.600 0.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.49799E-02 ppm1 5.170 ppm2 1.608 CV 1
ASSI { 55}
(( segid " " and resid 28 and name HB1 ))
( segid " " and resid 28 and name HD% )
2.300 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.48141E-02 ppm1 2.389 ppm2 6.758 CV 1
ASSI { 56}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
2.300 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.48141E-02 ppm1 4.484 ppm2 2.595 CV 1
ASSI { 57}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HB2 ))
2.200 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.48003E-02 ppm1 2.318 ppm2 1.700 CV 1
ASSI { 61}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB1 ))
2.500 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.46072E-02 ppm1 5.590 ppm2 2.660 CV 1
ASSI { 64}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HG2%)
2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.45245E-02 ppm1 4.092 ppm2 0.946 CV 1
ASSI { 66}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB1 ))
2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.41246E-02 ppm1 4.615 ppm2 2.917 CV 1
ASSI { 67}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 17 and name HZ3 ))
2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.40005E-02 ppm1 1.082 ppm2 6.975 CV 1
ASSI { 68}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39729E-02 ppm1 0.775 ppm2 1.308 CV 1
ASSI { 71}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 38 and name HB ))
2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.39178E-02 ppm1 1.081 ppm2 4.230 CV 1
ASSI { 73}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.38488E-02 ppm1 0.869 ppm2 4.880 CV 1
ASSI { 74}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HD2 ))
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.37521E-02 ppm1 2.978 ppm2 2.271 CV 1
ASSI { 76}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 17 and name HA ))
2.000 0.500 0.500 peak 76 spectrum 1 weight 0.11000E+01 volume 0.37107E-02 ppm1 4.398 ppm2 5.179 CV 1
ASSI { 77}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 27 and name HA ))
2.100 0.500 0.500 peak 77 spectrum 1 weight 0.11000E+01 volume 0.36693E-02 ppm1 5.169 ppm2 4.887 CV 1
ASSI { 78}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HG1 ))
2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.36279E-02 ppm1 1.768 ppm2 1.451 CV 1
ASSI { 81}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HD1 ))
2.800 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.35176E-02 ppm1 2.001 ppm2 2.759 CV 1
ASSI { 83}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 4 and name HA1 ))
3.100 3.100 2.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.34762E-02 ppm1 4.507 ppm2 3.918 CV 1
ASSI { 86}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.34072E-02 ppm1 4.004 ppm2 4.489 CV 1
ASSI { 87}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.33934E-02 ppm1 5.186 ppm2 3.063 CV 1
ASSI { 93}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HG2%)
2.700 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.31865E-02 ppm1 3.707 ppm2 1.364 CV 1
ASSI { 94}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 41 and name HG1 ))
2.600 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.31727E-02 ppm1 1.470 ppm2 1.024 CV 1
ASSI { 95}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 31 and name HA ))
3.400 3.400 2.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.31038E-02 ppm1 2.680 ppm2 4.418 CV 1
ASSI { 96}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 37 and name HA ))
1.800 0.400 0.400 peak 96 spectrum 1 weight 0.11000E+01 volume 0.30623E-02 ppm1 5.591 ppm2 6.051 CV 1
ASSI { 97}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 29 and name HA ))
2.300 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.30623E-02 ppm1 4.472 ppm2 5.290 CV 1
ASSI { 98}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HG1 ))
2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.30210E-02 ppm1 1.855 ppm2 1.436 CV 1
ASSI { 100}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HD% )
2.300 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.29520E-02 ppm1 5.590 ppm2 6.935 CV 1
ASSI { 101}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HG1 ))
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.29382E-02 ppm1 4.479 ppm2 1.631 CV 1
ASSI { 102}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HE3 ))
3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.28830E-02 ppm1 5.034 ppm2 8.007 CV 1
ASSI { 107}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB1 ))
2.300 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.27727E-02 ppm1 5.035 ppm2 3.650 CV 1
ASSI { 115}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26623E-02 ppm1 2.981 ppm2 1.295 CV 1
ASSI { 117}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG1 ))
2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.26485E-02 ppm1 3.614 ppm2 1.180 CV 1
ASSI { 118}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 1.263 ppm2 4.795 CV 1
ASSI { 120}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.25519E-02 ppm1 4.304 ppm2 1.782 CV 1
ASSI { 121}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 27 and name HG2%)
2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.25519E-02 ppm1 1.969 ppm2 0.857 CV 1
ASSI { 122}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HA ))
2.300 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.25382E-02 ppm1 2.848 ppm2 5.292 CV 1
ASSI { 123}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD% )
2.600 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.24830E-02 ppm1 5.300 ppm2 6.785 CV 1
ASSI { 124}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 19 and name HA ))
3.500 3.500 2.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.24416E-02 ppm1 2.589 ppm2 4.462 CV 1
ASSI { 125}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HD1 ))
3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.24002E-02 ppm1 1.174 ppm2 1.582 CV 1
ASSI { 126}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 39 and name HZ3 ))
3.500 1.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.24002E-02 ppm1 2.000 ppm2 6.949 CV 1
ASSI { 129}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 41 and name HG2 ))
2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.22899E-02 ppm1 1.470 ppm2 0.794 CV 1
ASSI { 132}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 16 and name HB1 ))
3.100 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.21519E-02 ppm1 2.508 ppm2 2.023 CV 1
OR { 132}
(( segid " " and resid 16 and name HG1 ))
( segid " " and resid 16 and name HE% )
ASSI { 133}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
2.400 0.700 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.21381E-02 ppm1 4.397 ppm2 0.032 CV 1
ASSI { 136}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 30 and name HD% )
3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.21105E-02 ppm1 6.056 ppm2 6.946 CV 1
ASSI { 137}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 16 and name HB2 ))
2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.20829E-02 ppm1 2.508 ppm2 1.810 CV 1
ASSI { 138}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 28 and name HB1 ))
3.300 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 5.034 ppm2 2.375 CV 1
ASSI { 140}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.20278E-02 ppm1 1.970 ppm2 4.466 CV 1
ASSI { 141}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 29 and name HE% )
2.800 2.800 3.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.20002E-02 ppm1 1.971 ppm2 6.690 CV 1
ASSI { 142}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 10 and name HG1%)
2.700 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 2.098 ppm2 0.914 CV 1
ASSI { 144}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 2.055 ppm2 4.414 CV 1
ASSI { 149}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 30 and name HD% )
2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.18484E-02 ppm1 1.379 ppm2 6.927 CV 1
ASSI { 152}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 30 and name HE% )
3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.17381E-02 ppm1 1.380 ppm2 6.582 CV 1
ASSI { 153}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 30 and name HE% )
2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.16691E-02 ppm1 3.613 ppm2 6.581 CV 1
ASSI { 157}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 40 and name HG1 ))
4.600 2.700 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 4.211 ppm2 2.297 CV 1
ASSI { 159}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HG1 ))
3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.16002E-02 ppm1 2.277 ppm2 0.668 CV 1
ASSI { 163}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.100 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14898E-02 ppm1 5.184 ppm2 7.326 CV 1
OR { 163}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 165}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HA ))
3.200 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.14760E-02 ppm1 0.790 ppm2 2.950 CV 1
ASSI { 166}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 43 and name HB1 ))
3.000 3.000 3.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 4.403 ppm2 2.675 CV 1
ASSI { 167}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB ))
2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 4.898 ppm2 3.947 CV 1
ASSI { 171}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HE3 ))
3.000 1.100 1.100 peak 171 spectrum 1 weight 0.11000E+01 volume 0.14208E-02 ppm1 2.390 ppm2 8.009 CV 1
ASSI { 172}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD2 ))
2.900 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.14070E-02 ppm1 1.247 ppm2 6.696 CV 1
ASSI { 173}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HD1 ))
2.900 1.100 1.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 2.960 ppm2 1.585 CV 1
ASSI { 175}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HA ))
3.100 1.200 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.13795E-02 ppm1 2.655 ppm2 5.291 CV 1
ASSI { 179}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 21 and name HA ))
2.600 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 1.333 ppm2 5.163 CV 1
ASSI { 180}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 38 and name HB ))
3.300 3.300 2.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 2.314 ppm2 4.222 CV 1
ASSI { 181}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HG2 ))
3.200 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.12801E-02 ppm1 2.556 ppm2 0.311 CV 1
ASSI { 184}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
3.300 1.300 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 5.036 ppm2 3.134 CV 1
ASSI { 186}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 38 and name HA ))
3.400 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 1.081 ppm2 4.772 CV 1
ASSI { 188}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
3.000 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 2.663 ppm2 7.325 CV 1
ASSI { 192}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 16 and name HA ))
3.900 1.900 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 4.276 ppm2 4.531 CV 1
ASSI { 196}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB1 ))
2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10649E-02 ppm1 4.401 ppm2 2.240 CV 1
ASSI { 197}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HA ))
2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 1.369 ppm2 2.963 CV 1
ASSI { 201}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 26 and name HG2 ))
3.700 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.94906E-03 ppm1 3.615 ppm2 1.589 CV 1
ASSI { 204}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HA ))
4.000 2.000 2.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.88559E-03 ppm1 1.517 ppm2 5.163 CV 1
ASSI { 205}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HB2 ))
3.300 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.82354E-03 ppm1 0.647 ppm2 1.156 CV 1
ASSI { 207}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HB2 ))
2.900 1.000 1.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.77938E-03 ppm1 0.323 ppm2 1.153 CV 1
ASSI { 208}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 21 and name HA ))
4.300 2.300 1.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.76972E-03 ppm1 0.865 ppm2 5.163 CV 1
ASSI { 209}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HB2 ))
3.900 1.900 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.76559E-03 ppm1 2.273 ppm2 1.165 CV 1
ASSI { 210}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HA ))
3.200 1.300 1.300 peak 210 spectrum 1 weight 0.10000E+01 volume 0.73249E-03 ppm1 2.348 ppm2 4.487 CV 1
ASSI { 211}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HE3 ))
2.900 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.72560E-03 ppm1 3.661 ppm2 8.007 CV 1
ASSI { 212}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HD1 ))
3.500 1.600 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.72422E-03 ppm1 3.614 ppm2 1.576 CV 1
ASSI { 216}
(( segid " " and resid 20 and name HB1 ))
( segid " " and resid 28 and name HE% )
4.600 2.600 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.69798E-03 ppm1 2.587 ppm2 6.369 CV 1
ASSI { 217}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HA ))
3.000 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.69522E-03 ppm1 2.083 ppm2 4.132 CV 1
ASSI { 218}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 29 and name HD% )
3.000 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.66489E-03 ppm1 5.035 ppm2 6.789 CV 1
ASSI { 221}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HG1 ))
2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.65247E-03 ppm1 2.556 ppm2 0.654 CV 1
ASSI { 222}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 17 and name HZ3 ))
3.300 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.64282E-03 ppm1 0.048 ppm2 6.985 CV 1
OR { 222}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 17 and name HH2 ))
ASSI { 223}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 27 and name HA ))
4.100 2.100 1.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.64144E-03 ppm1 1.334 ppm2 4.887 CV 1
ASSI { 224}
(( segid " " and resid 42 and name HD1 ))
( segid " " and resid 29 and name HD% )
3.400 1.500 1.500 peak 224 spectrum 1 weight 0.11000E+01 volume 0.63455E-03 ppm1 2.556 ppm2 6.788 CV 1
ASSI { 226}
(( segid " " and resid 42 and name HD2 ))
( segid " " and resid 29 and name HD% )
2.800 2.800 3.200 peak 226 spectrum 1 weight 0.11000E+01 volume 0.59452E-03 ppm1 2.279 ppm2 6.785 CV 1
ASSI { 227}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 35 and name HA ))
4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.58211E-03 ppm1 5.591 ppm2 3.650 CV 1
ASSI { 229}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 30 and name HE% )
4.600 2.600 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.56556E-03 ppm1 2.042 ppm2 6.579 CV 1
ASSI { 231}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HE3 ))
4.700 2.800 1.300 peak 231 spectrum 1 weight 0.10000E+01 volume 0.55453E-03 ppm1 3.142 ppm2 8.005 CV 1
ASSI { 232}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 21 and name HE1 ))
3.600 1.600 1.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.55315E-03 ppm1 1.334 ppm2 2.879 CV 1
ASSI { 235}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 39 and name HE3 ))
4.500 2.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.52281E-03 ppm1 1.997 ppm2 8.009 CV 1
ASSI { 236}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.800 1.800 1.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.51316E-03 ppm1 4.400 ppm2 7.327 CV 1
OR { 236}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 237}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HG2 ))
4.000 2.000 2.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.50213E-03 ppm1 4.317 ppm2 1.566 CV 1
ASSI { 238}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 29 and name HD% )
3.900 1.900 1.900 peak 238 spectrum 1 weight 0.11000E+01 volume 0.47313E-03 ppm1 3.028 ppm2 6.806 CV 1
ASSI { 239}
(( segid " " and resid 33 and name HG2 ))
( segid " " and resid 34 and name HG2%)
4.600 2.600 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.46900E-03 ppm1 2.132 ppm2 0.940 CV 1
ASSI { 241}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 33 and name HA ))
3.800 1.800 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.45934E-03 ppm1 2.245 ppm2 4.258 CV 1
ASSI { 242}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 28 and name HD% )
4.900 3.100 1.100 peak 242 spectrum 1 weight 0.10000E+01 volume 0.44831E-03 ppm1 5.170 ppm2 6.751 CV 1
ASSI { 243}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 42 and name HB1 ))
4.400 2.500 1.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.44418E-03 ppm1 6.667 ppm2 1.288 CV 1
ASSI { 244}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HA ))
3.900 1.900 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.42625E-03 ppm1 1.672 ppm2 4.302 CV 1
ASSI { 246}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 39 and name HZ2 ))
4.600 2.600 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.41522E-03 ppm1 4.438 ppm2 7.288 CV 1
ASSI { 247}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 17 and name HZ3 ))
4.400 2.400 1.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.41522E-03 ppm1 2.247 ppm2 6.985 CV 1
OR { 247}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 17 and name HH2 ))
ASSI { 254}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 39 and name HE3 ))
3.300 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.37797E-03 ppm1 4.818 ppm2 7.998 CV 1
ASSI { 256}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HG2 ))
3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.35313E-03 ppm1 2.274 ppm2 0.313 CV 1
ASSI { 258}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.34624E-03 ppm1 5.592 ppm2 7.328 CV 1
ASSI { 261}
(( segid " " and resid 35 and name HG1 ))
( segid " " and resid 30 and name HE% )
4.700 2.700 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.32693E-03 ppm1 1.190 ppm2 6.576 CV 1
ASSI { 265}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 36 and name HB2 ))
4.700 2.800 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.32279E-03 ppm1 0.057 ppm2 1.692 CV 1
ASSI { 267}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HA ))
5.200 3.400 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.31865E-03 ppm1 2.774 ppm2 4.473 CV 1
ASSI { 269}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HD1 ))
4.700 2.700 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.30761E-03 ppm1 3.658 ppm2 7.344 CV 1
ASSI { 271}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 19 and name HG1 ))
4.300 2.400 1.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.29934E-03 ppm1 4.901 ppm2 1.955 CV 1
ASSI { 272}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG2 ))
4.600 2.700 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.29382E-03 ppm1 3.954 ppm2 0.319 CV 1
ASSI { 273}
(( segid " " and resid 33 and name HG1 ))
( segid " " and resid 34 and name HG2%)
4.600 2.700 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.29244E-03 ppm1 2.262 ppm2 0.968 CV 1
ASSI { 274}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 39 and name HE3 ))
4.200 2.200 1.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.28554E-03 ppm1 2.774 ppm2 8.013 CV 1
ASSI { 275}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 17 and name HA ))
4.500 2.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.28278E-03 ppm1 1.263 ppm2 5.192 CV 1
ASSI { 279}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HZ2 ))
4.100 2.100 1.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.27727E-03 ppm1 2.391 ppm2 7.343 CV 1
OR { 279}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HD1 ))
ASSI { 281}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 23 and name HB2 ))
5.100 3.300 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.26485E-03 ppm1 4.431 ppm2 1.730 CV 1
ASSI { 282}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
4.900 3.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.25382E-03 ppm1 1.999 ppm2 7.342 CV 1
ASSI { 284}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 17 and name HE3 ))
4.200 2.200 1.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.24830E-03 ppm1 0.648 ppm2 7.333 CV 1
ASSI { 285}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HD1 ))
4.500 2.500 1.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.23864E-03 ppm1 4.302 ppm2 7.313 CV 1
ASSI { 286}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HA ))
4.300 2.300 1.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.23174E-03 ppm1 2.555 ppm2 3.951 CV 1
ASSI { 288}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 40 and name HG1 ))
4.000 2.000 2.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.22761E-03 ppm1 0.797 ppm2 2.269 CV 1
ASSI { 289}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HG1 ))
4.400 2.400 1.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.22623E-03 ppm1 2.981 ppm2 1.037 CV 1
ASSI { 290}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
4.800 2.900 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.22623E-03 ppm1 2.264 ppm2 7.334 CV 1
ASSI { 291}
(( segid " " and resid 17 and name HB1 ))
( segid " " and resid 29 and name HD% )
4.400 2.400 1.600 peak 291 spectrum 1 weight 0.11000E+01 volume 0.22071E-03 ppm1 3.143 ppm2 6.803 CV 1
ASSI { 292}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 29 and name HA ))
4.500 2.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.21244E-03 ppm1 1.972 ppm2 5.292 CV 1
ASSI { 294}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 38 and name HG2%)
4.700 2.800 1.300 peak 294 spectrum 1 weight 0.10000E+01 volume 0.19174E-03 ppm1 6.057 ppm2 1.073 CV 1
ASSI { 295}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 27 and name HA ))
6.000 4.700 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.18622E-03 ppm1 1.562 ppm2 4.896 CV 1
ASSI { 299}
(( segid " " and resid 28 and name HB1 ))
( segid " " and resid 28 and name HE% )
5.200 3.300 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.18071E-03 ppm1 2.390 ppm2 6.366 CV 1
ASSI { 300}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 39 and name HZ2 ))
4.300 2.300 1.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.17933E-03 ppm1 2.753 ppm2 7.310 CV 1
ASSI { 305}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 17 and name HA ))
4.900 3.000 1.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16415E-03 ppm1 1.381 ppm2 5.186 CV 1
ASSI { 308}
(( segid " " and resid 42 and name HG1 ))
( segid " " and resid 29 and name HD% )
3.600 1.600 1.600 peak 308 spectrum 1 weight 0.11000E+01 volume 0.16277E-03 ppm1 0.649 ppm2 6.805 CV 1
ASSI { 309}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 16 and name HA ))
5.600 3.900 0.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.16002E-03 ppm1 1.990 ppm2 4.540 CV 1
ASSI { 313}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 17 and name HE3 ))
3.500 1.500 1.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15312E-03 ppm1 0.325 ppm2 7.343 CV 1
OR { 313}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 318}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 20 and name HE1 ))
5.100 3.200 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.13670E-03 ppm1 1.261 ppm2 8.386 CV 1
ASSI { 320}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 41 and name HA ))
6.000 4.600 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13601E-03 ppm1 0.328 ppm2 2.995 CV 1
ASSI { 321}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 27 and name HB ))
5.400 3.700 0.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13573E-03 ppm1 1.964 ppm2 3.951 CV 1
ASSI { 323}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 42 and name HG2 ))
6.000 4.600 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.12746E-03 ppm1 2.656 ppm2 0.302 CV 1
ASSI { 327}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 32 and name HG2%)
5.700 4.000 0.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.11049E-03 ppm1 4.399 ppm2 1.366 CV 1
ASSI { 331}
(( segid " " and resid 31 and name HB1 ))
( segid " " and resid 34 and name HG2%)
5.300 3.500 0.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.91317E-04 ppm1 2.240 ppm2 0.969 CV 1
ASSI { 332}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 20 and name HE1 ))
5.700 4.000 0.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.87043E-04 ppm1 4.185 ppm2 8.385 CV 1
ASSI { 335}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 30 and name HB1 ))
4.700 2.700 1.300 peak 335 spectrum 1 weight 0.10000E+01 volume 0.72146E-04 ppm1 4.190 ppm2 2.664 CV 1
ASSI { 337}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 40 and name HA ))
5.700 4.000 0.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.68281E-04 ppm1 3.671 ppm2 4.447 CV 1
ASSI { 339}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 36 and name HB2 ))
5.400 3.600 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.53936E-04 ppm1 4.209 ppm2 1.695 CV 1
ASSI { 341}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HA ))
6.000 5.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.45245E-04 ppm1 0.651 ppm2 3.948 CV 1
ASSI { 343}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 41 and name HA ))
6.000 5.500 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.43039E-04 ppm1 0.649 ppm2 3.017 CV 1
ASSI { 344}
( segid " " and resid 8 and name HB% )
(( segid " " and resid 9 and name HB1 ))
6.000 4.500 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.38902E-04 ppm1 1.356 ppm2 3.854 CV 1
ASSI { 345}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 30 and name HD% )
5.900 4.300 0.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.38902E-04 ppm1 3.597 ppm2 6.924 CV 1
ASSI { 347}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 36 and name HB1 ))
5.800 4.200 0.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.31313E-04 ppm1 7.020 ppm2 2.072 CV 1
ASSI { 352}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 20 and name HD2 ))
6.000 6.000 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.15036E-04 ppm1 1.263 ppm2 6.687 CV 1
ASSI { 360}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.500 0.000 peak 360 spectrum 1 weight 0.11000E+01 volume 0.21381E-04 ppm1 7.024 ppm2 0.036 CV 1
ASSI { 362}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HA ))
5.700 4.100 0.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.39315E-04 ppm1 7.303 ppm2 5.171 CV 1
ASSI { 363}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 42 and name HB2 ))
5.000 3.200 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.40281E-04 ppm1 7.320 ppm2 1.173 CV 1
ASSI { 364}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
5.500 3.800 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.46624E-04 ppm1 1.756 ppm2 4.298 CV 1
ASSI { 366}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 26 and name HG1 ))
5.000 3.200 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.58763E-04 ppm1 7.364 ppm2 1.655 CV 1
ASSI { 369}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 42 and name HA ))
5.100 3.300 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.67454E-04 ppm1 7.484 ppm2 3.953 CV 1
ASSI { 372}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 26 and name HG1 ))
4.900 3.000 1.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.78627E-04 ppm1 7.314 ppm2 1.667 CV 1
ASSI { 377}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 38 and name HA ))
6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.93390E-04 ppm1 7.361 ppm2 4.783 CV 1
ASSI { 382}
(( segid " " and resid 30 and name HB1 ))
( segid " " and resid 18 and name HG2%)
4.800 2.900 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.10732E-03 ppm1 2.668 ppm2 1.263 CV 1
ASSI { 386}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 42 and name HA ))
5.200 3.400 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.11656E-03 ppm1 7.303 ppm2 3.947 CV 1
ASSI { 389}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 19 and name HA ))
4.600 2.600 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.13463E-03 ppm1 6.698 ppm2 4.462 CV 1
ASSI { 392}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 18 and name HB ))
4.600 2.700 1.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.14346E-03 ppm1 6.695 ppm2 4.172 CV 1
ASSI { 393}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 31 and name HB2 ))
4.300 2.300 1.700 peak 393 spectrum 1 weight 0.11000E+01 volume 0.14484E-03 ppm1 7.483 ppm2 0.035 CV 1
ASSI { 396}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 28 and name HA ))
4.400 2.500 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.16139E-03 ppm1 6.663 ppm2 4.816 CV 1
ASSI { 402}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 36 and name HB2 ))
5.200 3.300 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.21105E-03 ppm1 7.025 ppm2 1.697 CV 1
ASSI { 404}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
3.800 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.22761E-03 ppm1 1.842 ppm2 4.297 CV 1
ASSI { 406}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 31 and name HB2 ))
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.23451E-03 ppm1 7.330 ppm2 0.032 CV 1
ASSI { 412}
(( segid " " and resid 17 and name HE3 ))
( segid " " and resid 38 and name HG2%)
5.000 3.100 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.27313E-03 ppm1 7.333 ppm2 1.072 CV 1
ASSI { 415}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 24 and name HB2 ))
3.700 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.34348E-03 ppm1 7.313 ppm2 2.720 CV 1
ASSI { 416}
(( segid " " and resid 17 and name HZ2 ))
( segid " " and resid 38 and name HG2%)
5.300 3.500 0.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.34486E-03 ppm1 7.482 ppm2 1.126 CV 1
ASSI { 417}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 19 and name HB1 ))
4.300 2.400 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.34900E-03 ppm1 6.793 ppm2 1.823 CV 1
ASSI { 419}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 40 and name HA ))
3.700 1.700 1.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.39591E-03 ppm1 6.664 ppm2 4.458 CV 1
ASSI { 420}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 30 and name HB1 ))
4.700 2.700 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.39867E-03 ppm1 6.578 ppm2 2.663 CV 1
ASSI { 421}
(( segid " " and resid 30 and name HB1 ))
( segid " " and resid 28 and name HE% )
4.000 2.000 2.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.40419E-03 ppm1 2.670 ppm2 6.368 CV 1
ASSI { 422}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 31 and name HA ))
3.800 1.800 1.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.40832E-03 ppm1 7.330 ppm2 4.412 CV 1
ASSI { 425}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 27 and name HA ))
4.800 2.800 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.44418E-03 ppm1 1.627 ppm2 4.878 CV 1
ASSI { 428}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG1 ))
3.700 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.51454E-03 ppm1 4.302 ppm2 1.417 CV 1
ASSI { 431}
(( segid " " and resid 39 and name HH2 ))
(( segid " " and resid 22 and name HB1 ))
3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.60283E-03 ppm1 7.103 ppm2 4.419 CV 1
ASSI { 433}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 32 and name HB ))
3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.65523E-03 ppm1 6.583 ppm2 4.281 CV 1
ASSI { 437}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 30 and name HD% )
3.300 3.300 2.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.90214E-03 ppm1 3.709 ppm2 6.922 CV 1
ASSI { 439}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 41 and name HA ))
3.600 1.600 1.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.94079E-03 ppm1 6.664 ppm2 2.952 CV 1
ASSI { 440}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 28 and name HA ))
3.200 3.200 2.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.95458E-03 ppm1 6.782 ppm2 4.817 CV 1
ASSI { 441}
(( segid " " and resid 17 and name HH2 ))
( segid " " and resid 38 and name HG2%)
4.200 2.200 1.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.96285E-03 ppm1 7.023 ppm2 1.071 CV 1
ASSI { 448}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 30 and name HB1 ))
2.900 1.000 1.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.15588E-02 ppm1 6.697 ppm2 2.650 CV 1
ASSI { 451}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HH2 ))
2.900 1.000 1.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.16002E-02 ppm1 7.318 ppm2 7.081 CV 1
ASSI { 452}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 452 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 7.329 ppm2 5.196 CV 1
ASSI { 456}
(( segid " " and resid 39 and name HE3 ))
(( segid " " and resid 39 and name HZ3 ))
2.600 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.19588E-02 ppm1 8.007 ppm2 6.947 CV 1
ASSI { 459}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HB2 ))
3.500 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.30623E-02 ppm1 7.330 ppm2 3.032 CV 1
ASSI { 460}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HZ3 ))
2.300 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.31038E-02 ppm1 7.333 ppm2 6.956 CV 1
ASSI { 463}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 29 and name HB1 ))
2.200 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.36003E-02 ppm1 7.330 ppm2 2.845 CV 1
ASSI { 465}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 29 and name HB2 ))
2.300 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.39315E-02 ppm1 6.803 ppm2 2.658 CV 1
ASSI { 466}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 17 and name HH2 ))
2.500 0.800 0.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.40694E-02 ppm1 7.482 ppm2 7.017 CV 1
ASSI { 471}
( segid " " and resid 28 and name HE% )
( segid " " and resid 28 and name HD% )
2.100 0.500 0.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.97389E-02 ppm1 6.368 ppm2 6.754 CV 1
ASSI { 1}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.000 2.000 4.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.55005E-01 ppm1 8.331 ppm2 4.342 CV 1
ASSI { 3}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 8 and name HB% )
1.600 0.300 0.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.20600E-01 ppm1 8.328 ppm2 1.383 CV 1
ASSI { 4}
(( segid " " and resid 36 and name HE22))
(( segid " " and resid 36 and name HE21))
1.400 0.200 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.15855E-01 ppm1 6.976 ppm2 7.580 CV 1
ASSI { 7}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA1 ))
2.600 2.600 3.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.94910E-02 ppm1 8.223 ppm2 3.954 CV 1
ASSI { 11}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.300 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.80891E-02 ppm1 8.685 ppm2 4.487 CV 1
ASSI { 12}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB1 ))
2.000 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.78734E-02 ppm1 8.160 ppm2 2.069 CV 1
ASSI { 14}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.100 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.76578E-02 ppm1 8.234 ppm2 4.328 CV 1
ASSI { 15}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
1.900 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.73341E-02 ppm1 8.357 ppm2 4.418 CV 1
ASSI { 16}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
1.900 0.400 0.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.71185E-02 ppm1 8.691 ppm2 4.868 CV 1
ASSI { 19}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.100 0.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 8.229 ppm2 4.480 CV 1
ASSI { 20}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.100 0.500 0.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 7.968 ppm2 3.639 CV 1
ASSI { 21}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.300 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.59318E-02 ppm1 8.769 ppm2 4.501 CV 1
ASSI { 22}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 31 and name HD21))
2.200 0.600 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.57702E-02 ppm1 8.159 ppm2 6.627 CV 1
ASSI { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.600 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.55005E-02 ppm1 8.404 ppm2 4.349 CV 1
ASSI { 27}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.54465E-02 ppm1 8.325 ppm2 4.507 CV 1
ASSI { 28}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.300 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.52201E-02 ppm1 8.678 ppm2 4.790 CV 1
ASSI { 30}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 4 and name HB1 ))
2.000 2.000 4.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.48535E-02 ppm1 8.116 ppm2 1.835 CV 1
ASSI { 31}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.300 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.47888E-02 ppm1 8.980 ppm2 2.428 CV 1
ASSI { 33}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 39 and name HD1 ))
2.600 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.47241E-02 ppm1 10.085 ppm2 7.360 CV 1
ASSI { 35}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 17 and name HD1 ))
2.500 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.45946E-02 ppm1 10.334 ppm2 7.338 CV 1
ASSI { 39}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.000 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.41901E-02 ppm1 8.205 ppm2 5.560 CV 1
ASSI { 41}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB1 ))
2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.37264E-02 ppm1 7.749 ppm2 1.999 CV 1
ASSI { 42}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB1 ))
2.300 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.36886E-02 ppm1 7.775 ppm2 2.084 CV 1
ASSI { 43}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.300 0.600 0.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.36616E-02 ppm1 9.423 ppm2 5.203 CV 1
ASSI { 44}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA2 ))
2.500 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.35915E-02 ppm1 8.344 ppm2 3.642 CV 1
ASSI { 45}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HB1 ))
3.500 3.500 2.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.35322E-02 ppm1 8.980 ppm2 2.711 CV 1
ASSI { 47}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.34244E-02 ppm1 8.131 ppm2 4.489 CV 1
ASSI { 48}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB ))
2.600 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.34190E-02 ppm1 8.769 ppm2 3.997 CV 1
ASSI { 51}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.300 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.33381E-02 ppm1 8.325 ppm2 1.649 CV 1
ASSI { 53}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HB% )
3.000 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.32572E-02 ppm1 8.407 ppm2 1.398 CV 1
ASSI { 54}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 31 and name HB1 ))
1.700 0.400 0.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.32302E-02 ppm1 7.054 ppm2 2.300 CV 1
ASSI { 56}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31331E-02 ppm1 8.159 ppm2 7.779 CV 1
ASSI { 58}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.29174E-02 ppm1 8.244 ppm2 1.799 CV 1
ASSI { 60}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.27718E-02 ppm1 9.260 ppm2 6.014 CV 1
ASSI { 61}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.27503E-02 ppm1 8.980 ppm2 4.845 CV 1
ASSI { 62}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 29 and name HD% )
2.400 2.400 3.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.27503E-02 ppm1 8.980 ppm2 6.793 CV 1
ASSI { 64}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
2.700 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.26748E-02 ppm1 8.492 ppm2 4.773 CV 1
ASSI { 65}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HG2%)
2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 8.357 ppm2 1.384 CV 1
ASSI { 66}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26155E-02 ppm1 7.851 ppm2 8.353 CV 1
ASSI { 68}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 34 and name HG2%)
3.600 1.600 1.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.25400E-02 ppm1 7.775 ppm2 0.974 CV 1
ASSI { 70}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
3.200 1.300 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.24591E-02 ppm1 8.493 ppm2 8.115 CV 1
ASSI { 71}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HB% )
3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.24267E-02 ppm1 8.244 ppm2 1.399 CV 1
ASSI { 73}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB1 ))
2.700 0.900 0.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.23081E-02 ppm1 8.205 ppm2 2.295 CV 1
ASSI { 74}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.22649E-02 ppm1 7.751 ppm2 4.475 CV 1
ASSI { 76}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HG2 ))
2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 7.749 ppm2 1.626 CV 1
OR { 76}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HG1 ))
ASSI { 78}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.100 1.200 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.21085E-02 ppm1 7.855 ppm2 4.540 CV 1
ASSI { 80}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB1 ))
3.500 1.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.20654E-02 ppm1 8.531 ppm2 2.080 CV 1
ASSI { 83}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 27 and name HG2%)
3.500 1.500 1.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.20061E-02 ppm1 8.690 ppm2 0.898 CV 1
ASSI { 84}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.19845E-02 ppm1 7.749 ppm2 8.344 CV 1
ASSI { 85}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB2 ))
3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.19791E-02 ppm1 8.492 ppm2 3.151 CV 1
ASSI { 86}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19360E-02 ppm1 8.680 ppm2 4.518 CV 1
ASSI { 87}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.600 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.18766E-02 ppm1 9.407 ppm2 5.574 CV 1
ASSI { 88}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HG1 ))
4.100 2.100 1.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.18389E-02 ppm1 8.530 ppm2 2.311 CV 1
ASSI { 89}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 38 and name HG2%)
2.700 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.18281E-02 ppm1 9.260 ppm2 1.091 CV 1
ASSI { 90}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18227E-02 ppm1 8.769 ppm2 1.999 CV 1
ASSI { 93}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.700 1.700 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17958E-02 ppm1 7.851 ppm2 2.966 CV 1
ASSI { 94}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG1 ))
3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 8.325 ppm2 1.352 CV 1
ASSI { 95}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HG1 ))
3.100 1.200 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 7.968 ppm2 1.205 CV 1
ASSI { 96}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB ))
3.500 1.600 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 8.677 ppm2 4.204 CV 1
ASSI { 97}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 26 and name HD1 ))
4.100 2.100 1.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.17580E-02 ppm1 7.851 ppm2 2.770 CV 1
ASSI { 99}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.17310E-02 ppm1 7.055 ppm2 1.718 CV 1
ASSI { 101}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HG1 ))
3.800 3.800 2.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 8.588 ppm2 1.355 CV 1
ASSI { 106}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.000 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 9.379 ppm2 1.647 CV 1
ASSI { 108}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 38 and name HG2%)
3.200 1.200 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 8.115 ppm2 1.091 CV 1
ASSI { 109}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 10 and name HG1%)
4.200 2.200 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 8.229 ppm2 0.969 CV 1
ASSI { 110}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
3.300 1.300 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.14884E-02 ppm1 8.343 ppm2 4.666 CV 1
ASSI { 111}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
2.800 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 8.229 ppm2 3.038 CV 1
ASSI { 113}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 22 and name HN ))
3.700 1.700 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 8.687 ppm2 9.352 CV 1
ASSI { 114}
(( segid " " and resid 36 and name HE21))
(( segid " " and resid 36 and name HG1 ))
3.200 1.300 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.13590E-02 ppm1 7.581 ppm2 2.326 CV 1
ASSI { 116}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB1 ))
4.200 2.200 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 8.229 ppm2 1.873 CV 1
ASSI { 117}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 8.358 ppm2 3.735 CV 1
ASSI { 118}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.900 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12781E-02 ppm1 8.771 ppm2 4.861 CV 1
ASSI { 121}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12295E-02 ppm1 9.379 ppm2 4.129 CV 1
ASSI { 124}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 8.327 ppm2 5.123 CV 1
ASSI { 132}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HD2 ))
4.200 2.200 1.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 8.117 ppm2 2.332 CV 1
ASSI { 133}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 28 and name HA ))
4.000 2.000 2.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.10408E-02 ppm1 8.115 ppm2 4.798 CV 1
ASSI { 134}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB1 ))
3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10408E-02 ppm1 8.492 ppm2 3.646 CV 1
ASSI { 135}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10354E-02 ppm1 8.117 ppm2 5.060 CV 1
ASSI { 136}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.200 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10300E-02 ppm1 8.329 ppm2 3.873 CV 1
ASSI { 139}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
3.000 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.10030E-02 ppm1 8.495 ppm2 5.029 CV 1
ASSI { 140}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 16 and name HB1 ))
3.800 1.800 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.98147E-03 ppm1 6.628 ppm2 2.009 CV 1
OR { 140}
(( segid " " and resid 31 and name HD21))
( segid " " and resid 16 and name HE% )
ASSI { 144}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB ))
3.000 1.200 1.200 peak 144 spectrum 1 weight 0.10000E+01 volume 0.93834E-03 ppm1 8.204 ppm2 2.103 CV 1
ASSI { 146}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 17 and name HZ3 ))
3.400 1.500 1.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.90597E-03 ppm1 9.260 ppm2 6.923 CV 1
ASSI { 147}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HG2%)
4.300 2.300 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.90057E-03 ppm1 8.678 ppm2 1.270 CV 1
ASSI { 148}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HG1%)
3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.89517E-03 ppm1 8.203 ppm2 0.938 CV 1
ASSI { 150}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.87901E-03 ppm1 8.535 ppm2 6.014 CV 1
ASSI { 151}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.900 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.87360E-03 ppm1 7.054 ppm2 3.638 CV 1
ASSI { 152}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 27 and name HG2%)
4.300 2.300 1.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.86820E-03 ppm1 8.588 ppm2 0.899 CV 1
ASSI { 155}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.84128E-03 ppm1 8.690 ppm2 2.427 CV 1
ASSI { 156}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 31 and name HA ))
4.100 2.100 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.83047E-03 ppm1 9.423 ppm2 4.426 CV 1
ASSI { 157}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 18 and name HG2%)
3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.83047E-03 ppm1 9.424 ppm2 1.287 CV 1
ASSI { 158}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
3.200 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.82507E-03 ppm1 9.433 ppm2 4.793 CV 1
ASSI { 161}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB ))
3.500 1.500 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.78734E-03 ppm1 9.424 ppm2 4.229 CV 1
ASSI { 162}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HG1 ))
4.400 2.500 1.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.78734E-03 ppm1 8.343 ppm2 1.639 CV 1
ASSI { 163}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 28 and name HD% )
3.100 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.78194E-03 ppm1 8.588 ppm2 6.744 CV 1
ASSI { 164}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.77654E-03 ppm1 8.984 ppm2 5.271 CV 1
ASSI { 166}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 27 and name HA ))
3.800 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.73881E-03 ppm1 8.588 ppm2 4.866 CV 1
ASSI { 168}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HB2 ))
3.600 1.600 1.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.73341E-03 ppm1 7.853 ppm2 1.211 CV 1
ASSI { 171}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.70645E-03 ppm1 8.357 ppm2 7.787 CV 1
ASSI { 172}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 29 and name HB2 ))
3.200 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.70104E-03 ppm1 9.260 ppm2 2.702 CV 1
ASSI { 174}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 28 and name HB1 ))
4.800 2.800 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.69028E-03 ppm1 9.260 ppm2 2.413 CV 1
ASSI { 175}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB ))
4.400 2.400 1.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.68488E-03 ppm1 8.492 ppm2 4.249 CV 1
ASSI { 178}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 29 and name HA ))
4.400 2.400 1.600 peak 178 spectrum 1 weight 0.11000E+01 volume 0.66868E-03 ppm1 8.587 ppm2 5.272 CV 1
ASSI { 179}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB1 ))
4.400 2.400 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.66868E-03 ppm1 8.205 ppm2 2.689 CV 1
ASSI { 181}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
3.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.66868E-03 ppm1 8.212 ppm2 4.150 CV 1
ASSI { 183}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 37 and name HN ))
4.800 2.900 1.200 peak 183 spectrum 1 weight 0.10000E+01 volume 0.65251E-03 ppm1 7.975 ppm2 8.534 CV 1
ASSI { 185}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HD1 ))
3.400 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.64171E-03 ppm1 8.493 ppm2 7.373 CV 1
ASSI { 187}
(( segid " " and resid 36 and name HE22))
(( segid " " and resid 36 and name HG1 ))
4.100 2.100 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.63095E-03 ppm1 6.976 ppm2 2.327 CV 1
ASSI { 188}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HG2%)
3.300 1.400 1.400 peak 188 spectrum 1 weight 0.10000E+01 volume 0.62015E-03 ppm1 8.770 ppm2 0.898 CV 1
ASSI { 190}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HN ))
3.400 1.400 1.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.60938E-03 ppm1 7.749 ppm2 9.377 CV 1
ASSI { 191}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 21 and name HA ))
4.400 2.400 1.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.60938E-03 ppm1 8.692 ppm2 5.145 CV 1
ASSI { 194}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HD2 ))
4.700 2.700 1.300 peak 194 spectrum 1 weight 0.10000E+01 volume 0.58782E-03 ppm1 8.229 ppm2 2.332 CV 1
ASSI { 195}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HD1 ))
5.100 3.300 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.58242E-03 ppm1 7.749 ppm2 2.807 CV 1
ASSI { 196}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 38 and name HG2%)
3.900 1.900 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.57702E-03 ppm1 8.980 ppm2 1.080 CV 1
ASSI { 197}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HB2 ))
3.700 1.700 1.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.57161E-03 ppm1 10.333 ppm2 1.222 CV 1
OR { 197}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HB1 ))
ASSI { 198}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HB1 ))
4.500 2.500 1.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.56085E-03 ppm1 8.343 ppm2 1.977 CV 1
ASSI { 199}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HB2 ))
4.500 2.500 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.55545E-03 ppm1 8.398 ppm2 1.786 CV 1
ASSI { 202}
(( segid " " and resid 31 and name HD21))
( segid " " and resid 34 and name HG2%)
4.900 3.000 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.53228E-03 ppm1 6.627 ppm2 0.974 CV 1
ASSI { 205}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HD1 ))
4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.51014E-03 ppm1 7.968 ppm2 1.627 CV 1
ASSI { 206}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 34 and name HG2%)
5.400 3.600 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.49937E-03 ppm1 8.158 ppm2 0.986 CV 1
ASSI { 208}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
3.500 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.49183E-03 ppm1 9.246 ppm2 4.781 CV 1
ASSI { 209}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 17 and name HA ))
3.800 1.800 1.800 peak 209 spectrum 1 weight 0.11000E+01 volume 0.46647E-03 ppm1 8.357 ppm2 5.200 CV 1
ASSI { 210}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
3.900 1.900 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.46379E-03 ppm1 8.531 ppm2 7.015 CV 1
ASSI { 211}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 37 and name HA ))
3.900 1.900 1.900 peak 211 spectrum 1 weight 0.11000E+01 volume 0.46214E-03 ppm1 8.205 ppm2 6.011 CV 1
ASSI { 213}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG2%)
4.900 3.000 1.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.43303E-03 ppm1 8.160 ppm2 1.372 CV 1
ASSI { 214}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 38 and name HG2%)
3.900 1.900 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.42928E-03 ppm1 8.492 ppm2 1.088 CV 1
ASSI { 215}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 28 and name HB1 ))
4.300 2.300 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.42870E-03 ppm1 8.491 ppm2 2.367 CV 1
ASSI { 216}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 29 and name HN ))
3.400 1.400 1.400 peak 216 spectrum 1 weight 0.11000E+01 volume 0.41847E-03 ppm1 9.259 ppm2 8.933 CV 1
ASSI { 217}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB1 ))
4.500 2.500 1.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.40013E-03 ppm1 8.344 ppm2 2.919 CV 1
ASSI { 218}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 17 and name HE3 ))
4.300 2.300 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.38772E-03 ppm1 9.403 ppm2 7.347 CV 1
ASSI { 219}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HG1%)
4.700 2.700 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.38288E-03 ppm1 8.476 ppm2 0.936 CV 1
ASSI { 220}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 23 and name HG1 ))
5.300 3.500 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.38234E-03 ppm1 10.086 ppm2 1.833 CV 1
ASSI { 222}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB1 ))
4.100 2.100 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.37587E-03 ppm1 8.202 ppm2 3.856 CV 1
ASSI { 223}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 19 and name HG1 ))
4.100 2.100 1.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.37479E-03 ppm1 8.686 ppm2 1.998 CV 1
ASSI { 224}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HE3 ))
4.800 2.800 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.36940E-03 ppm1 9.424 ppm2 7.339 CV 1
OR { 224}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 225}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 4 and name HE ))
4.900 3.000 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.36940E-03 ppm1 7.751 ppm2 7.146 CV 1
ASSI { 228}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HN ))
5.200 3.400 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.35376E-03 ppm1 7.776 ppm2 7.040 CV 1
ASSI { 230}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB ))
4.900 3.000 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.34999E-03 ppm1 8.689 ppm2 4.006 CV 1
ASSI { 233}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 19 and name HA ))
3.800 1.800 1.800 peak 233 spectrum 1 weight 0.11000E+01 volume 0.33381E-03 ppm1 9.402 ppm2 4.501 CV 1
ASSI { 235}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 38 and name HA ))
4.600 2.700 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.31979E-03 ppm1 10.084 ppm2 4.775 CV 1
ASSI { 236}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 41 and name HE1 ))
4.700 2.700 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.30792E-03 ppm1 8.186 ppm2 2.834 CV 1
ASSI { 237}
(( segid " " and resid 36 and name HE21))
(( segid " " and resid 38 and name HB ))
4.800 2.800 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.30684E-03 ppm1 7.581 ppm2 4.235 CV 1
ASSI { 239}
(( segid " " and resid 36 and name HE22))
(( segid " " and resid 38 and name HA ))
5.300 3.500 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.30253E-03 ppm1 6.987 ppm2 4.780 CV 1
ASSI { 240}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB ))
5.100 3.300 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.29929E-03 ppm1 8.477 ppm2 2.112 CV 1
ASSI { 242}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
4.700 2.800 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.29228E-03 ppm1 8.536 ppm2 9.287 CV 1
ASSI { 246}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
5.200 3.400 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.27772E-03 ppm1 8.327 ppm2 9.369 CV 1
ASSI { 247}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 30 and name HE% )
5.400 3.700 0.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.27503E-03 ppm1 7.967 ppm2 6.602 CV 1
ASSI { 248}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
4.600 2.600 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.27233E-03 ppm1 8.207 ppm2 9.379 CV 1
ASSI { 250}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 34 and name HG2%)
5.000 3.100 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.26155E-03 ppm1 7.055 ppm2 1.002 CV 1
ASSI { 252}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 30 and name HA ))
5.000 3.100 1.000 peak 252 spectrum 1 weight 0.11000E+01 volume 0.25993E-03 ppm1 9.260 ppm2 5.562 CV 1
ASSI { 253}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HN ))
4.700 2.800 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.25939E-03 ppm1 8.343 ppm2 9.368 CV 1
ASSI { 255}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 40 and name HB1 ))
5.600 4.000 0.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.25346E-03 ppm1 9.262 ppm2 1.904 CV 1
ASSI { 257}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 31 and name HD21))
5.300 3.500 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.24699E-03 ppm1 10.335 ppm2 6.642 CV 1
ASSI { 258}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB1 ))
4.400 2.400 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.23890E-03 ppm1 7.850 ppm2 2.364 CV 1
ASSI { 264}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HD1 ))
5.800 4.200 0.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21840E-03 ppm1 8.772 ppm2 2.816 CV 1
ASSI { 268}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 31 and name HN ))
4.800 2.800 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.20762E-03 ppm1 6.624 ppm2 8.201 CV 1
ASSI { 269}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 18 and name HG2%)
4.900 3.000 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.20330E-03 ppm1 9.401 ppm2 1.298 CV 1
ASSI { 272}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 20 and name HN ))
5.200 3.400 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.19953E-03 ppm1 8.977 ppm2 8.618 CV 1
ASSI { 276}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 28 and name HB1 ))
4.600 2.700 1.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.19144E-03 ppm1 10.084 ppm2 2.401 CV 1
ASSI { 277}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 26 and name HD1 ))
4.200 2.200 1.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.19144E-03 ppm1 10.085 ppm2 2.768 CV 1
ASSI { 278}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 39 and name HB2 ))
5.500 3.800 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.19036E-03 ppm1 10.086 ppm2 3.131 CV 1
ASSI { 281}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HG2 ))
6.000 5.800 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.18605E-03 ppm1 8.233 ppm2 2.386 CV 1
ASSI { 283}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 39 and name HB1 ))
5.300 3.600 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.18389E-03 ppm1 8.977 ppm2 3.683 CV 1
ASSI { 284}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 39 and name HB1 ))
5.600 4.000 0.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.18281E-03 ppm1 10.085 ppm2 3.665 CV 1
ASSI { 287}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
5.200 3.300 0.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.18119E-03 ppm1 8.770 ppm2 7.754 CV 1
ASSI { 288}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 18 and name HN ))
5.200 3.400 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.18065E-03 ppm1 8.357 ppm2 9.407 CV 1
ASSI { 289}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 38 and name HG2%)
5.300 3.600 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.17742E-03 ppm1 8.530 ppm2 1.085 CV 1
ASSI { 290}
(( segid " " and resid 36 and name HE21))
(( segid " " and resid 38 and name HA ))
5.900 4.300 0.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17688E-03 ppm1 7.579 ppm2 4.773 CV 1
ASSI { 293}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
4.600 2.700 1.400 peak 293 spectrum 1 weight 0.10000E+01 volume 0.16879E-03 ppm1 8.662 ppm2 1.730 CV 1
ASSI { 295}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 10 and name HG1%)
4.600 2.700 1.400 peak 295 spectrum 1 weight 0.10000E+01 volume 0.16340E-03 ppm1 8.220 ppm2 0.918 CV 1
ASSI { 296}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HA ))
4.800 2.900 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.16340E-03 ppm1 7.852 ppm2 3.964 CV 1
ASSI { 297}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
5.200 3.300 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.15855E-03 ppm1 8.494 ppm2 9.270 CV 1
ASSI { 304}
(( segid " " and resid 31 and name HD21))
( segid " " and resid 32 and name HG2%)
6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.14452E-03 ppm1 6.628 ppm2 1.385 CV 1
ASSI { 305}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HG1 ))
6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.14129E-03 ppm1 8.324 ppm2 2.007 CV 1
ASSI { 306}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HB2 ))
6.000 4.900 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.13482E-03 ppm1 7.774 ppm2 1.691 CV 1
ASSI { 307}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 16 and name HG2 ))
6.000 5.400 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.13104E-03 ppm1 10.335 ppm2 2.354 CV 1
ASSI { 308}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 39 and name HZ3 ))
4.500 2.600 1.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.12727E-03 ppm1 8.771 ppm2 6.958 CV 1
ASSI { 311}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA1 ))
5.500 3.800 0.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.11594E-03 ppm1 8.663 ppm2 3.911 CV 1
ASSI { 312}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HA ))
5.400 3.600 0.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.11433E-03 ppm1 8.532 ppm2 4.781 CV 1
ASSI { 313}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HA ))
6.000 4.700 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11163E-03 ppm1 8.683 ppm2 5.188 CV 1
ASSI { 314}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 36 and name HB2 ))
6.000 4.600 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.10893E-03 ppm1 8.206 ppm2 1.721 CV 1
ASSI { 315}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HA ))
5.400 3.700 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.92754E-04 ppm1 8.224 ppm2 4.817 CV 1
ASSI { 318}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HA ))
5.600 3.900 0.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.84128E-04 ppm1 10.335 ppm2 3.961 CV 1
ASSI { 319}
(( segid " " and resid 17 and name HE1 ))
( segid " " and resid 16 and name HE% )
5.700 4.000 0.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.83047E-04 ppm1 10.334 ppm2 1.966 CV 1
ASSI { 322}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 43 and name HA ))
5.400 3.600 0.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.77114E-04 ppm1 8.476 ppm2 4.507 CV 1
ASSI { 323}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 10 and name HG1%)
6.000 4.700 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.76578E-04 ppm1 8.332 ppm2 0.936 CV 1
ASSI { 324}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 28 and name HE% )
6.000 5.100 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.75498E-04 ppm1 8.688 ppm2 6.391 CV 1
ASSI { 329}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 8 and name HB% )
6.000 6.000 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.48263E-04 ppm1 8.204 ppm2 1.423 CV 1
ASSI { 331}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 17 and name HA ))
6.000 6.000 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.21786E-04 ppm1 8.209 ppm2 5.202 CV 1
ASSI { 6}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HD1 ))
1.900 0.500 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.28931E-01 ppm1 2.104 ppm2 1.579 CV 1
ASSI { 7}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HG2 ))
1.900 0.400 0.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.27622E-01 ppm1 1.990 ppm2 1.623 CV 1
OR { 7}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HG1 ))
ASSI { 9}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HG2 ))
1.700 1.700 4.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.26988E-01 ppm1 1.991 ppm2 1.551 CV 1
ASSI { 10}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HG1%)
2.200 2.200 3.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.25890E-01 ppm1 4.139 ppm2 0.902 CV 1
ASSI { 13}
(( segid " " and resid 40 and name HG1 ))
( segid " " and resid 29 and name HD% )
2.300 2.300 3.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.19893E-01 ppm1 2.296 ppm2 6.772 CV 1
ASSI { 16}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG1 ))
2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.18119E-01 ppm1 4.505 ppm2 2.504 CV 1
ASSI { 18}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
1.900 0.400 0.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.18077E-01 ppm1 3.124 ppm2 7.286 CV 1
OR { 18}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 19}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
1.900 0.400 0.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.17823E-01 ppm1 4.447 ppm2 8.558 CV 1
ASSI { 27}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
2.300 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.16261E-01 ppm1 4.469 ppm2 2.570 CV 1
ASSI { 32}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
1.700 0.400 0.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.15754E-01 ppm1 7.029 ppm2 7.931 CV 1
ASSI { 35}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.000 2.000 4.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.14993E-01 ppm1 4.401 ppm2 1.682 CV 1
ASSI { 36}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.14951E-01 ppm1 4.370 ppm2 1.724 CV 1
ASSI { 41}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
2.300 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13895E-01 ppm1 4.295 ppm2 1.729 CV 1
ASSI { 42}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG2 ))
2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.13895E-01 ppm1 4.248 ppm2 2.203 CV 1
ASSI { 46}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB1 ))
2.000 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.13051E-01 ppm1 4.320 ppm2 2.303 CV 1
ASSI { 48}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.12628E-01 ppm1 1.708 ppm2 8.495 CV 1
ASSI { 55}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HZ3 ))
2.100 2.100 3.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11446E-01 ppm1 2.382 ppm2 6.918 CV 1
ASSI { 62}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 35 and name HN ))
1.900 0.400 0.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.92493E-02 ppm1 2.256 ppm2 7.931 CV 1
ASSI { 67}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HB1 ))
3.600 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.88693E-02 ppm1 2.891 ppm2 1.617 CV 1
ASSI { 71}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HD1 ))
2.300 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.85315E-02 ppm1 2.842 ppm2 1.451 CV 1
ASSI { 72}
(( segid " " and resid 41 and name HE1 ))
( segid " " and resid 8 and name HB% )
2.500 2.500 3.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.84894E-02 ppm1 2.857 ppm2 1.426 CV 1
ASSI { 76}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 32 and name HG2%)
2.800 2.800 3.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.84047E-02 ppm1 4.195 ppm2 1.354 CV 1
ASSI { 78}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HG1 ))
2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.83204E-02 ppm1 2.956 ppm2 1.172 CV 1
ASSI { 79}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HD1 ))
2.300 0.700 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.82779E-02 ppm1 2.889 ppm2 1.527 CV 1
ASSI { 83}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.000 0.500 0.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.77290E-02 ppm1 5.279 ppm2 9.387 CV 1
ASSI { 84}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 26 and name HG2 ))
2.300 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.77290E-02 ppm1 2.956 ppm2 1.561 CV 1
ASSI { 87}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 9 and name HN ))
2.400 2.400 3.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.73065E-02 ppm1 3.051 ppm2 8.306 CV 1
ASSI { 90}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD1 ))
2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.71801E-02 ppm1 3.033 ppm2 7.291 CV 1
OR { 90}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
ASSI { 91}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 40 and name HN ))
3.700 3.700 2.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.71376E-02 ppm1 0.958 ppm2 8.112 CV 1
ASSI { 93}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HN ))
2.500 2.500 3.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.70112E-02 ppm1 3.709 ppm2 7.933 CV 1
ASSI { 94}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 39 and name HZ2 ))
3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.67998E-02 ppm1 2.918 ppm2 7.293 CV 1
ASSI { 97}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.200 0.600 0.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.60398E-02 ppm1 8.138 ppm2 8.574 CV 1
ASSI { 98}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 27 and name HG2%)
2.600 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.60398E-02 ppm1 1.760 ppm2 0.900 CV 1
ASSI { 99}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 99 spectrum 1 weight 0.10000E+01 volume 0.59973E-02 ppm1 2.348 ppm2 8.577 CV 1
ASSI { 103}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.57862E-02 ppm1 4.111 ppm2 7.782 CV 1
ASSI { 106}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 16 and name HE% )
3.300 1.300 1.300 peak 106 spectrum 1 weight 0.10000E+01 volume 0.54905E-02 ppm1 4.101 ppm2 1.990 CV 1
OR { 106}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 110}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.52795E-02 ppm1 3.649 ppm2 8.171 CV 1
ASSI { 111}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.800 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.52373E-02 ppm1 1.848 ppm2 7.783 CV 1
ASSI { 118}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HB1 ))
3.500 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.47727E-02 ppm1 3.545 ppm2 2.301 CV 1
ASSI { 126}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 31 and name HB1 ))
3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.43502E-02 ppm1 3.608 ppm2 2.292 CV 1
ASSI { 129}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB1 ))
2.100 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.43081E-02 ppm1 5.165 ppm2 3.113 CV 1
ASSI { 130}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.41981E-02 ppm1 1.335 ppm2 9.378 CV 1
ASSI { 132}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HG1 ))
2.300 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.40714E-02 ppm1 2.768 ppm2 1.632 CV 1
ASSI { 140}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.38477E-02 ppm1 4.874 ppm2 9.375 CV 1
ASSI { 141}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HG1 ))
2.900 1.000 1.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.36533E-02 ppm1 2.101 ppm2 1.175 CV 1
ASSI { 143}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 37 and name HA ))
3.700 1.700 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.35520E-02 ppm1 2.666 ppm2 6.017 CV 1
ASSI { 147}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB1 ))
2.600 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.34844E-02 ppm1 3.611 ppm2 2.084 CV 1
OR { 147}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 148}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HG1 ))
3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.34337E-02 ppm1 2.979 ppm2 1.411 CV 1
ASSI { 149}
( segid " " and resid 29 and name HE% )
( segid " " and resid 29 and name HD% )
2.400 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.34041E-02 ppm1 6.658 ppm2 6.775 CV 1
ASSI { 150}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.33915E-02 ppm1 3.028 ppm2 8.127 CV 1
ASSI { 151}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 40 and name HN ))
3.400 3.400 2.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.33281E-02 ppm1 3.961 ppm2 8.154 CV 1
ASSI { 152}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 34 and name HN ))
3.700 1.700 1.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.32944E-02 ppm1 3.615 ppm2 7.782 CV 1
ASSI { 153}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HB1 ))
3.100 1.200 1.200 peak 153 spectrum 1 weight 0.10000E+01 volume 0.32479E-02 ppm1 2.587 ppm2 1.226 CV 1
OR { 153}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HB2 ))
ASSI { 155}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HB2 ))
1.900 0.400 0.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.32099E-02 ppm1 2.066 ppm2 1.681 CV 1
ASSI { 156}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.31972E-02 ppm1 5.155 ppm2 9.381 CV 1
ASSI { 162}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HB1 ))
3.500 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.29945E-02 ppm1 5.145 ppm2 2.578 CV 1
ASSI { 170}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 34 and name HG2%)
2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.27073E-02 ppm1 1.688 ppm2 0.942 CV 1
ASSI { 176}
(( segid " " and resid 30 and name HB1 ))
( segid " " and resid 30 and name HD% )
2.600 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.25468E-02 ppm1 2.662 ppm2 6.904 CV 1
ASSI { 177}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HG2 ))
2.000 0.500 0.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25426E-02 ppm1 1.020 ppm2 0.765 CV 1
ASSI { 178}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 40 and name HN ))
3.700 1.700 1.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.25383E-02 ppm1 3.642 ppm2 8.097 CV 1
ASSI { 179}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 27 and name HG2%)
3.200 1.300 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.25215E-02 ppm1 4.815 ppm2 0.853 CV 1
ASSI { 181}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24961E-02 ppm1 3.617 ppm2 7.716 CV 1
ASSI { 184}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 28 and name HN ))
4.400 2.400 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.24581E-02 ppm1 1.335 ppm2 8.655 CV 1
ASSI { 191}
(( segid " " and resid 23 and name HD2 ))
( segid " " and resid 28 and name HD% )
3.500 3.500 2.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.24158E-02 ppm1 3.568 ppm2 6.731 CV 1
ASSI { 198}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 5 and name HN ))
3.000 3.000 3.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.23145E-02 ppm1 6.673 ppm2 8.651 CV 1
ASSI { 202}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HN ))
3.300 1.300 1.300 peak 202 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 4.397 ppm2 7.788 CV 1
ASSI { 204}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 39 and name HZ2 ))
2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.21836E-02 ppm1 1.734 ppm2 7.290 CV 1
ASSI { 210}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 10 and name HG1%)
4.900 3.000 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.20273E-02 ppm1 1.206 ppm2 0.902 CV 1
ASSI { 212}
( segid " " and resid 10 and name HG1%)
( segid " " and resid 29 and name HE% )
3.300 1.400 1.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.20019E-02 ppm1 0.952 ppm2 6.647 CV 1
ASSI { 214}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 39 and name HE1 ))
3.200 1.300 1.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.19681E-02 ppm1 7.355 ppm2 10.047 CV 1
OR { 214}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HE1 ))
ASSI { 215}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 9 and name HN ))
3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.19470E-02 ppm1 2.107 ppm2 8.308 CV 1
ASSI { 216}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.19428E-02 ppm1 4.319 ppm2 7.784 CV 1
ASSI { 222}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 31 and name HN ))
2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.18752E-02 ppm1 7.021 ppm2 8.170 CV 1
ASSI { 223}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 9 and name HN ))
4.000 2.000 2.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.18710E-02 ppm1 2.310 ppm2 8.289 CV 1
ASSI { 225}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.18372E-02 ppm1 3.709 ppm2 8.114 CV 1
ASSI { 226}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG1 ))
3.100 1.200 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.18161E-02 ppm1 3.565 ppm2 1.829 CV 1
ASSI { 228}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.700 1.700 1.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 5.278 ppm2 7.295 CV 1
ASSI { 235}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB1 ))
3.000 1.100 1.100 peak 235 spectrum 1 weight 0.10000E+01 volume 0.17105E-02 ppm1 3.958 ppm2 1.223 CV 1
OR { 235}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
ASSI { 236}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HN ))
3.900 1.900 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16978E-02 ppm1 4.310 ppm2 7.710 CV 1
ASSI { 238}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HN ))
3.500 1.600 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.16894E-02 ppm1 1.644 ppm2 7.708 CV 1
ASSI { 239}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.16345E-02 ppm1 7.746 ppm2 7.928 CV 1
ASSI { 245}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.15036E-02 ppm1 1.790 ppm2 8.649 CV 1
ASSI { 248}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 42 and name HB1 ))
5.000 3.200 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.14191E-02 ppm1 4.187 ppm2 1.236 CV 1
ASSI { 250}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 4 and name HE ))
3.900 1.900 1.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 1.574 ppm2 7.181 CV 1
ASSI { 254}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HN ))
3.800 1.800 1.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.13895E-02 ppm1 3.653 ppm2 8.497 CV 1
ASSI { 260}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 30 and name HE% )
3.500 1.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 3.710 ppm2 6.559 CV 1
ASSI { 262}
(( segid " " and resid 29 and name HB1 ))
( segid " " and resid 29 and name HD% )
2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 2.832 ppm2 6.774 CV 1
ASSI { 263}
(( segid " " and resid 35 and name HB1 ))
( segid " " and resid 30 and name HE% )
3.500 3.500 2.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 2.098 ppm2 6.559 CV 1
ASSI { 266}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 40 and name HG1 ))
3.300 3.300 2.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.12333E-02 ppm1 2.999 ppm2 2.273 CV 1
ASSI { 275}
( segid " " and resid 27 and name HG2%)
( segid " " and resid 29 and name HE% )
3.400 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 0.869 ppm2 6.640 CV 1
ASSI { 279}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11404E-02 ppm1 1.575 ppm2 7.710 CV 1
ASSI { 281}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 27 and name HN ))
4.400 2.400 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 1.574 ppm2 8.743 CV 1
ASSI { 283}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HG2 ))
3.900 1.900 1.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 4.874 ppm2 1.555 CV 1
ASSI { 285}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 17 and name HZ2 ))
3.600 1.700 1.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.11193E-02 ppm1 1.175 ppm2 7.454 CV 1
ASSI { 295}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 38 and name HG2%)
3.500 1.500 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10516E-02 ppm1 2.647 ppm2 1.040 CV 1
ASSI { 301}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HA ))
4.700 2.700 1.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 3.659 ppm2 6.014 CV 1
ASSI { 304}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 39 and name HZ3 ))
3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.96718E-03 ppm1 1.584 ppm2 6.915 CV 1
ASSI { 306}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
3.500 1.600 1.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.95029E-03 ppm1 4.248 ppm2 8.113 CV 1
ASSI { 312}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 27 and name HG2%)
4.200 2.200 1.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.89115E-03 ppm1 2.085 ppm2 0.890 CV 1
ASSI { 317}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
3.400 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.85736E-03 ppm1 1.181 ppm2 7.285 CV 1
OR { 317}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 322}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 4 and name HE ))
3.800 1.800 1.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.83204E-03 ppm1 2.770 ppm2 7.181 CV 1
ASSI { 329}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 11 and name HN ))
3.300 1.400 1.400 peak 329 spectrum 1 weight 0.10000E+01 volume 0.79401E-03 ppm1 3.972 ppm2 8.457 CV 1
ASSI { 337}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 38 and name HG2%)
4.800 2.900 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.76869E-03 ppm1 1.768 ppm2 1.041 CV 1
ASSI { 340}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.74755E-03 ppm1 4.137 ppm2 8.456 CV 1
ASSI { 342}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 20 and name HN ))
3.400 1.500 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.73065E-03 ppm1 1.956 ppm2 8.559 CV 1
ASSI { 360}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 360 spectrum 1 weight 0.11000E+01 volume 0.65466E-03 ppm1 8.583 ppm2 8.656 CV 1
ASSI { 363}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
3.500 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.64198E-03 ppm1 1.245 ppm2 7.288 CV 1
OR { 363}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 365}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HG1 ))
4.500 2.500 1.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.63351E-03 ppm1 2.835 ppm2 1.036 CV 1
ASSI { 366}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 17 and name HE1 ))
3.800 1.900 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.63351E-03 ppm1 7.472 ppm2 10.363 CV 1
ASSI { 371}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.60398E-03 ppm1 2.649 ppm2 8.929 CV 1
ASSI { 378}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.400 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.57862E-03 ppm1 8.242 ppm2 8.577 CV 1
ASSI { 379}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HN ))
5.200 3.400 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.56595E-03 ppm1 1.956 ppm2 8.651 CV 1
ASSI { 383}
( segid " " and resid 38 and name HG2%)
( segid " " and resid 29 and name HD% )
4.400 2.500 1.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.54063E-03 ppm1 1.056 ppm2 6.774 CV 1
ASSI { 386}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 28 and name HN ))
3.300 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.51527E-03 ppm1 6.746 ppm2 8.656 CV 1
ASSI { 387}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 17 and name HE1 ))
3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.51106E-03 ppm1 1.184 ppm2 10.364 CV 1
ASSI { 388}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 9 and name HN ))
4.900 3.000 1.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.51106E-03 ppm1 8.132 ppm2 8.302 CV 1
ASSI { 396}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 39 and name HH2 ))
3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.48991E-03 ppm1 1.643 ppm2 7.070 CV 1
ASSI { 400}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.600 1.700 1.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.48148E-03 ppm1 1.245 ppm2 8.558 CV 1
ASSI { 404}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 4 and name HE ))
4.100 2.100 1.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.46038E-03 ppm1 1.990 ppm2 7.181 CV 1
ASSI { 411}
(( segid " " and resid 40 and name HG1 ))
(( segid " " and resid 41 and name HG1 ))
4.000 2.000 2.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.43923E-03 ppm1 2.301 ppm2 1.029 CV 1
ASSI { 417}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HB2 ))
4.800 2.900 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.42656E-03 ppm1 3.585 ppm2 1.704 CV 1
ASSI { 419}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HN ))
3.400 1.500 1.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.42234E-03 ppm1 7.305 ppm2 8.128 CV 1
ASSI { 422}
(( segid " " and resid 23 and name HD1 ))
( segid " " and resid 28 and name HE% )
5.500 3.700 0.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.41813E-03 ppm1 3.660 ppm2 6.340 CV 1
ASSI { 426}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
5.200 3.400 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.39829E-03 ppm1 1.997 ppm2 7.291 CV 1
OR { 426}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 17 and name HD1 ))
ASSI { 428}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 40 and name HN ))
4.300 2.300 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.38772E-03 ppm1 1.233 ppm2 8.150 CV 1
OR { 428}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 40 and name HN ))
ASSI { 432}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 40 and name HN ))
4.500 2.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.37589E-03 ppm1 1.181 ppm2 8.149 CV 1
ASSI { 437}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 17 and name HZ2 ))
4.500 2.600 1.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.36491E-03 ppm1 1.238 ppm2 7.457 CV 1
ASSI { 442}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 28 and name HD% )
4.000 2.000 2.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.35646E-03 ppm1 4.107 ppm2 6.729 CV 1
ASSI { 447}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 17 and name HE3 ))
4.300 2.300 1.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.34802E-03 ppm1 6.037 ppm2 7.294 CV 1
ASSI { 454}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 17 and name HE3 ))
5.300 3.500 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.33112E-03 ppm1 6.790 ppm2 7.296 CV 1
ASSI { 457}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 35 and name HN ))
5.600 3.900 0.400 peak 457 spectrum 1 weight 0.10000E+01 volume 0.31339E-03 ppm1 0.068 ppm2 7.933 CV 1
ASSI { 458}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HN ))
4.800 2.900 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.31296E-03 ppm1 2.588 ppm2 8.557 CV 1
ASSI { 460}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HN ))
4.700 2.800 1.300 peak 460 spectrum 1 weight 0.10000E+01 volume 0.31212E-03 ppm1 2.832 ppm2 8.929 CV 1
ASSI { 461}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 13 and name HN ))
4.500 2.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.30789E-03 ppm1 3.883 ppm2 8.377 CV 1
ASSI { 463}
(( segid " " and resid 29 and name HB1 ))
( segid " " and resid 29 and name HE% )
5.300 3.500 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.30747E-03 ppm1 2.840 ppm2 6.639 CV 1
ASSI { 467}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 25 and name HN ))
5.500 3.800 0.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.30072E-03 ppm1 7.299 ppm2 8.293 CV 1
ASSI { 469}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
4.800 2.900 1.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.29438E-03 ppm1 2.692 ppm2 8.294 CV 1
ASSI { 490}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
4.500 2.600 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.25763E-03 ppm1 4.094 ppm2 7.932 CV 1
ASSI { 504}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 19 and name HN ))
5.100 3.300 0.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.24623E-03 ppm1 2.657 ppm2 8.651 CV 1
ASSI { 512}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 27 and name HG2%)
6.000 4.700 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.23145E-03 ppm1 4.454 ppm2 0.851 CV 1
ASSI { 513}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HD21))
4.000 2.000 2.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.23018E-03 ppm1 0.064 ppm2 6.645 CV 1
ASSI { 515}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 39 and name HZ3 ))
4.100 2.100 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.21836E-03 ppm1 4.107 ppm2 6.917 CV 1
ASSI { 519}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 35 and name HN ))
3.900 1.900 1.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.20526E-03 ppm1 4.224 ppm2 7.937 CV 1
ASSI { 522}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HG2 ))
4.800 2.900 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.20104E-03 ppm1 2.854 ppm2 0.768 CV 1
ASSI { 527}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 38 and name HN ))
5.300 3.500 0.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19597E-03 ppm1 6.747 ppm2 9.241 CV 1
ASSI { 531}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HN ))
4.700 2.800 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18837E-03 ppm1 1.029 ppm2 8.221 CV 1
ASSI { 532}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 28 and name HD% )
5.100 3.300 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.18795E-03 ppm1 6.031 ppm2 6.730 CV 1
ASSI { 534}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 25 and name HN ))
6.000 4.900 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18752E-03 ppm1 2.788 ppm2 8.303 CV 1
ASSI { 536}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 41 and name HG2 ))
3.500 3.500 2.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.18583E-03 ppm1 2.583 ppm2 0.763 CV 1
ASSI { 539}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 29 and name HN ))
4.100 2.100 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.18203E-03 ppm1 5.020 ppm2 8.929 CV 1
ASSI { 545}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HD1 ))
5.400 3.700 0.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.17697E-03 ppm1 4.298 ppm2 7.284 CV 1
OR { 545}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HE3 ))
ASSI { 548}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 38 and name HN ))
4.800 2.800 1.200 peak 548 spectrum 1 weight 0.10000E+01 volume 0.17528E-03 ppm1 4.227 ppm2 9.242 CV 1
ASSI { 552}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 22 and name HN ))
6.000 6.000 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.17105E-03 ppm1 0.867 ppm2 9.381 CV 1
ASSI { 553}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 39 and name HE3 ))
6.000 5.000 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.17105E-03 ppm1 6.746 ppm2 7.972 CV 1
ASSI { 554}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
6.000 4.600 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17063E-03 ppm1 3.992 ppm2 7.283 CV 1
ASSI { 556}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 36 and name HE21))
6.000 5.900 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16767E-03 ppm1 0.961 ppm2 7.594 CV 1
ASSI { 560}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
5.400 3.700 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.16556E-03 ppm1 8.164 ppm2 9.392 CV 1
ASSI { 573}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 17 and name HZ2 ))
5.600 4.000 0.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15204E-03 ppm1 6.666 ppm2 7.456 CV 1
ASSI { 574}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 40 and name HN ))
3.600 3.600 2.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.15162E-03 ppm1 1.028 ppm2 8.153 CV 1
ASSI { 578}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 17 and name HH2 ))
5.400 3.700 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14993E-03 ppm1 1.193 ppm2 7.006 CV 1
ASSI { 583}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 16 and name HB1 ))
6.000 6.000 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.14233E-03 ppm1 3.704 ppm2 1.992 CV 1
OR { 583}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 16 and name HE% )
ASSI { 586}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HH2 ))
4.800 2.900 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.13980E-03 ppm1 2.379 ppm2 7.073 CV 1
ASSI { 588}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 17 and name HE1 ))
6.000 5.000 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.13811E-03 ppm1 0.681 ppm2 10.363 CV 1
ASSI { 595}
(( segid " " and resid 35 and name HD1 ))
( segid " " and resid 30 and name HE% )
3.700 3.700 2.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.13473E-03 ppm1 1.595 ppm2 6.559 CV 1
ASSI { 603}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 34 and name HN ))
4.300 2.300 1.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.13093E-03 ppm1 6.662 ppm2 7.731 CV 1
ASSI { 605}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 34 and name HN ))
5.300 3.500 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.12882E-03 ppm1 2.320 ppm2 7.784 CV 1
ASSI { 608}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 35 and name HN ))
5.800 4.100 0.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.12713E-03 ppm1 0.959 ppm2 7.933 CV 1
ASSI { 612}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 17 and name HH2 ))
6.000 4.600 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.12628E-03 ppm1 0.957 ppm2 7.008 CV 1
ASSI { 615}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HB1 ))
6.000 4.600 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.12586E-03 ppm1 5.575 ppm2 2.237 CV 1
ASSI { 618}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HN ))
4.000 2.000 2.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.12459E-03 ppm1 0.786 ppm2 8.219 CV 1
ASSI { 628}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
4.300 2.300 1.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.12164E-03 ppm1 0.065 ppm2 7.297 CV 1
OR { 628}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 630}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HN ))
6.000 5.100 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.12079E-03 ppm1 4.308 ppm2 8.573 CV 1
ASSI { 631}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HG1 ))
5.100 3.300 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.12037E-03 ppm1 4.094 ppm2 1.173 CV 1
ASSI { 634}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HN ))
5.800 4.100 0.200 peak 634 spectrum 1 weight 0.10000E+01 volume 0.11868E-03 ppm1 6.038 ppm2 7.070 CV 1
ASSI { 635}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 34 and name HN ))
6.000 6.000 0.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.11826E-03 ppm1 2.532 ppm2 7.786 CV 1
ASSI { 643}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 39 and name HH2 ))
5.400 3.700 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.11193E-03 ppm1 3.554 ppm2 7.074 CV 1
ASSI { 644}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HB1 ))
6.000 5.900 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11193E-03 ppm1 2.961 ppm2 2.087 CV 1
ASSI { 646}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 42 and name HB1 ))
6.000 5.200 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.11108E-03 ppm1 5.163 ppm2 1.236 CV 1
ASSI { 648}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 28 and name HE% )
6.000 4.900 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.11066E-03 ppm1 5.569 ppm2 6.340 CV 1
ASSI { 649}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 16 and name HN ))
4.100 2.100 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10981E-03 ppm1 2.496 ppm2 8.581 CV 1
ASSI { 653}
(( segid " " and resid 4 and name HE ))
(( segid " " and resid 39 and name HE3 ))
5.000 3.200 1.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.10728E-03 ppm1 7.198 ppm2 7.969 CV 1
ASSI { 654}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 17 and name HZ2 ))
6.000 4.500 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.10643E-03 ppm1 2.070 ppm2 7.458 CV 1
ASSI { 655}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 40 and name HN ))
4.300 2.300 1.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.10559E-03 ppm1 6.794 ppm2 8.095 CV 1
ASSI { 656}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 28 and name HE% )
6.000 5.000 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.10474E-03 ppm1 6.037 ppm2 6.338 CV 1
ASSI { 657}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HE21))
5.900 4.300 0.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.10432E-03 ppm1 7.080 ppm2 7.538 CV 1
ASSI { 661}
( segid " " and resid 30 and name HD% )
(( segid " " and resid 37 and name HN ))
5.300 3.500 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.10390E-03 ppm1 6.929 ppm2 8.499 CV 1
ASSI { 665}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HB1 ))
6.000 6.000 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.10221E-03 ppm1 3.855 ppm2 1.988 CV 1
OR { 665}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 16 and name HE% )
ASSI { 669}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 21 and name HN ))
5.800 4.200 0.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.98407E-04 ppm1 4.871 ppm2 8.266 CV 1
ASSI { 670}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 28 and name HN ))
6.000 4.900 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.98407E-04 ppm1 5.005 ppm2 8.663 CV 1
ASSI { 671}
(( segid " " and resid 42 and name HG2 ))
( segid " " and resid 29 and name HD% )
5.500 3.700 0.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.97986E-04 ppm1 0.356 ppm2 6.775 CV 1
ASSI { 675}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 26 and name HN ))
5.400 3.600 0.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.95029E-04 ppm1 6.934 ppm2 7.709 CV 1
ASSI { 676}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
5.600 3.900 0.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.95029E-04 ppm1 3.872 ppm2 8.577 CV 1
ASSI { 681}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 14 and name HE1 ))
5.500 3.800 0.500 peak 681 spectrum 1 weight 0.10000E+01 volume 0.92918E-04 ppm1 4.439 ppm2 2.983 CV 1
ASSI { 685}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.91651E-04 ppm1 5.279 ppm2 8.653 CV 1
ASSI { 687}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 17 and name HE1 ))
6.000 6.000 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.91229E-04 ppm1 7.015 ppm2 10.364 CV 1
ASSI { 689}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 20 and name HN ))
5.500 3.800 0.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.90804E-04 ppm1 6.361 ppm2 8.557 CV 1
ASSI { 690}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 37 and name HA ))
6.000 5.100 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.90383E-04 ppm1 3.137 ppm2 6.025 CV 1
ASSI { 694}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE1 ))
6.000 5.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.89115E-04 ppm1 3.125 ppm2 10.359 CV 1
ASSI { 699}
(( segid " " and resid 21 and name HG1 ))
( segid " " and resid 27 and name HG2%)
6.000 5.400 0.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.87004E-04 ppm1 1.328 ppm2 0.849 CV 1
ASSI { 703}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 31 and name HD21))
6.000 6.000 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.85736E-04 ppm1 2.516 ppm2 6.649 CV 1
ASSI { 704}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 5 and name HN ))
6.000 4.600 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.85315E-04 ppm1 3.840 ppm2 8.649 CV 1
ASSI { 707}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 16 and name HN ))
4.500 2.500 1.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.84047E-04 ppm1 4.001 ppm2 8.581 CV 1
ASSI { 715}
(( segid " " and resid 21 and name HE1 ))
( segid " " and resid 27 and name HG2%)
6.000 4.800 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.81090E-04 ppm1 2.891 ppm2 0.850 CV 1
ASSI { 717}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.900 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.79826E-04 ppm1 1.698 ppm2 7.930 CV 1
ASSI { 723}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 26 and name HN ))
6.000 4.800 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.78137E-04 ppm1 5.155 ppm2 7.710 CV 1
ASSI { 724}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 39 and name HE1 ))
6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.78137E-04 ppm1 2.698 ppm2 10.048 CV 1
ASSI { 733}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 40 and name HN ))
5.800 4.300 0.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.74755E-04 ppm1 0.672 ppm2 8.147 CV 1
ASSI { 738}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 39 and name HZ2 ))
6.000 5.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.71801E-04 ppm1 4.107 ppm2 7.296 CV 1
ASSI { 739}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 40 and name HN ))
5.300 3.500 0.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.71376E-04 ppm1 6.663 ppm2 8.100 CV 1
ASSI { 740}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.70112E-04 ppm1 6.024 ppm2 9.388 CV 1
ASSI { 741}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 28 and name HN ))
4.800 2.900 1.200 peak 741 spectrum 1 weight 0.10000E+01 volume 0.70112E-04 ppm1 6.933 ppm2 8.655 CV 1
ASSI { 743}
(( segid " " and resid 14 and name HG1 ))
( segid " " and resid 29 and name HD% )
5.600 3.900 0.400 peak 743 spectrum 1 weight 0.10000E+01 volume 0.68844E-04 ppm1 1.457 ppm2 6.774 CV 1
ASSI { 748}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 38 and name HN ))
6.000 5.300 0.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.65887E-04 ppm1 2.834 ppm2 9.237 CV 1
ASSI { 749}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 39 and name HZ2 ))
6.000 6.000 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.65887E-04 ppm1 3.568 ppm2 7.292 CV 1
ASSI { 752}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HN ))
6.000 5.400 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.64619E-04 ppm1 1.616 ppm2 8.506 CV 1
ASSI { 753}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 27 and name HN ))
6.000 4.800 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.64198E-04 ppm1 1.333 ppm2 8.738 CV 1
ASSI { 755}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.600 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.62930E-04 ppm1 6.027 ppm2 8.932 CV 1
ASSI { 757}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE1 ))
6.000 5.900 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.62509E-04 ppm1 3.037 ppm2 10.364 CV 1
ASSI { 761}
(( segid " " and resid 39 and name HH2 ))
(( segid " " and resid 39 and name HE1 ))
6.000 6.000 0.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.61241E-04 ppm1 7.091 ppm2 10.049 CV 1
ASSI { 762}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 29 and name HN ))
6.000 5.900 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.60398E-04 ppm1 0.868 ppm2 8.933 CV 1
ASSI { 765}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.900 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.58705E-04 ppm1 5.158 ppm2 8.746 CV 1
ASSI { 774}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 26 and name HN ))
6.000 5.500 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.56173E-04 ppm1 1.339 ppm2 7.705 CV 1
ASSI { 776}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HG1 ))
6.000 4.800 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.54905E-04 ppm1 3.705 ppm2 1.173 CV 1
ASSI { 777}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 37 and name HA ))
6.000 6.000 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.54484E-04 ppm1 2.378 ppm2 6.015 CV 1
ASSI { 778}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 39 and name HE1 ))
6.000 6.000 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.54063E-04 ppm1 2.921 ppm2 10.052 CV 1
ASSI { 779}
(( segid " " and resid 28 and name HB1 ))
( segid " " and resid 27 and name HG2%)
6.000 6.000 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.54063E-04 ppm1 2.382 ppm2 0.849 CV 1
ASSI { 784}
(( segid " " and resid 42 and name HG1 ))
( segid " " and resid 29 and name HE% )
5.700 4.000 0.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.52795E-04 ppm1 0.680 ppm2 6.641 CV 1
ASSI { 785}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 17 and name HZ2 ))
6.000 6.000 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.52373E-04 ppm1 1.704 ppm2 7.452 CV 1
ASSI { 789}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 40 and name HN ))
6.000 6.000 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.48991E-04 ppm1 0.354 ppm2 8.147 CV 1
ASSI { 791}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HN ))
4.300 2.300 1.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.48991E-04 ppm1 2.954 ppm2 7.932 CV 1
ASSI { 793}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 27 and name HG2%)
6.000 6.000 0.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.46459E-04 ppm1 5.278 ppm2 0.856 CV 1
ASSI { 796}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HE21))
4.100 2.100 1.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.45191E-04 ppm1 2.081 ppm2 7.544 CV 1
ASSI { 800}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HE1 ))
6.000 6.000 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.44349E-04 ppm1 4.295 ppm2 10.365 CV 1
ASSI { 801}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 4 and name HE ))
6.000 5.200 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.43923E-04 ppm1 4.478 ppm2 7.178 CV 1
ASSI { 803}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 17 and name HN ))
6.000 6.000 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.42234E-04 ppm1 3.875 ppm2 8.126 CV 1
ASSI { 805}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 17 and name HE1 ))
6.000 6.000 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.41434E-04 ppm1 1.998 ppm2 10.361 CV 1
OR { 805}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HE1 ))
!!!!!!!
ASSI { 27}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.400 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.73525E-02 ppm1 3.843 ppm2 4.446 CV 1
ASSI { 28}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB ))
2.200 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.73525E-02 ppm1 4.783 ppm2 4.212 CV 1
ASSI { 36}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 6 and name HA ))
2.600 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.59590E-02 ppm1 3.845 ppm2 4.298 CV 1
ASSI { 45}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB1 ))
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.52557E-02 ppm1 4.261 ppm2 2.037 CV 1
ASSI { 52}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HA ))
2.200 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.49661E-02 ppm1 2.007 ppm2 4.480 CV 1
ASSI { 65}
(( segid " " and resid 13 and name HB% ))
(( segid " " and resid 13 and name HA ))
2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.43452E-02 ppm1 1.380 ppm2 4.295 CV 1
ASSI { 113}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HD% )
2.800 2.800 3.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.27175E-02 ppm1 4.824 ppm2 6.777 CV 1
ASSI { 170}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HA ))
2.600 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.14346E-02 ppm1 0.050 ppm2 4.390 CV 1
ASSI { 182}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HA ))
3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.12594E-02 ppm1 2.251 ppm2 4.391 CV 1
ASSI { 214}
(( segid " " and resid 4 and name HD1 ))
(( segid " " and resid 4 and name HG1 ))
3.400 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.72422E-03 ppm1 3.194 ppm2 1.620 CV 1
ASSI { 234}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HD2 ))
4.300 2.300 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.53247E-03 ppm1 2.587 ppm2 6.713 CV 1
ASSI { 296}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HD1 ))
5.100 3.300 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.18622E-03 ppm1 5.036 ppm2 7.367 CV 1
ASSI { 9}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
1.900 0.500 0.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.86284E-02 ppm1 8.588 ppm2 4.516 CV 1
ASSI { 23}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB1 ))
2.300 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.56085E-02 ppm1 8.229 ppm2 1.356 CV 1
ASSI { 34}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.46647E-02 ppm1 8.245 ppm2 4.316 CV 1
ASSI { 57}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.30523E-02 ppm1 9.402 ppm2 2.704 CV 1
ASSI { 59}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA1 ))
3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.28258E-02 ppm1 8.345 ppm2 4.336 CV 1
ASSI { 63}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 8.162 ppm2 4.306 CV 1
ASSI { 72}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.24213E-02 ppm1 8.203 ppm2 4.470 CV 1
ASSI { 82}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.20115E-02 ppm1 8.431 ppm2 4.341 CV 1
ASSI { 105}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.900 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 7.056 ppm2 4.406 CV 1
ASSI { 107}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.900 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 8.428 ppm2 1.767 CV 1
ASSI { 137}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
2.900 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 8.207 ppm2 4.432 CV 1
ASSI { 169}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.900 1.900 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.71721E-03 ppm1 9.379 ppm2 4.467 CV 1
ASSI { 317}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 17 and name HZ3 ))
6.000 4.700 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.87901E-04 ppm1 10.334 ppm2 6.974 CV 1
ASSI { 1}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HN ))
2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.36618E-01 ppm1 4.307 ppm2 8.296 CV 1
ASSI { 4}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
1.900 1.900 4.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.33872E-01 ppm1 4.481 ppm2 8.150 CV 1
ASSI { 5}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
1.900 0.500 2.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.33155E-01 ppm1 4.467 ppm2 8.159 CV 1
ASSI { 8}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
1.700 0.400 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.27031E-01 ppm1 4.493 ppm2 8.575 CV 1
ASSI { 11}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.300 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.20906E-01 ppm1 3.862 ppm2 8.218 CV 1
ASSI { 12}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HN ))
2.300 0.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.20357E-01 ppm1 1.507 ppm2 8.265 CV 1
ASSI { 14}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB1 ))
2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19302E-01 ppm1 4.450 ppm2 1.837 CV 1
ASSI { 17}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.18077E-01 ppm1 1.268 ppm2 8.222 CV 1
ASSI { 20}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HN ))
2.100 2.100 3.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.17612E-01 ppm1 1.858 ppm2 8.094 CV 1
ASSI { 21}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HN ))
1.800 0.400 0.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.17401E-01 ppm1 2.081 ppm2 8.166 CV 1
ASSI { 23}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HD1 ))
1.900 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.17063E-01 ppm1 3.137 ppm2 7.339 CV 1
ASSI { 24}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
2.000 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.16725E-01 ppm1 4.450 ppm2 1.754 CV 1
ASSI { 25}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HG2 ))
2.600 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.16514E-01 ppm1 4.479 ppm2 1.628 CV 1
OR { 25}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HG1 ))
ASSI { 26}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 29 and name HE% )
2.400 2.400 3.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.16261E-01 ppm1 2.662 ppm2 6.678 CV 1
ASSI { 28}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HD2 ))
2.400 2.400 3.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.16218E-01 ppm1 2.595 ppm2 6.674 CV 1
ASSI { 29}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.15965E-01 ppm1 4.322 ppm2 1.812 CV 1
ASSI { 30}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HN ))
2.300 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.15923E-01 ppm1 1.377 ppm2 8.221 CV 1
ASSI { 33}
(( segid " " and resid 39 and name HH2 ))
(( segid " " and resid 39 and name HE3 ))
1.800 0.400 4.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.15416E-01 ppm1 7.084 ppm2 7.970 CV 1
ASSI { 34}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 21 and name HN ))
1.800 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.15078E-01 ppm1 1.366 ppm2 8.303 CV 1
ASSI { 39}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG1 ))
2.600 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.14276E-01 ppm1 4.309 ppm2 1.626 CV 1
ASSI { 40}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.300 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.14191E-01 ppm1 4.454 ppm2 8.165 CV 1
ASSI { 43}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
2.100 0.600 0.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13853E-01 ppm1 4.481 ppm2 2.636 CV 1
ASSI { 49}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB1 ))
2.400 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.12459E-01 ppm1 4.402 ppm2 2.299 CV 1
ASSI { 50}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
2.200 2.200 3.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12333E-01 ppm1 4.500 ppm2 2.327 CV 1
ASSI { 53}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HN ))
2.200 0.600 0.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11952E-01 ppm1 2.258 ppm2 8.172 CV 1
ASSI { 56}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.11361E-01 ppm1 4.289 ppm2 8.372 CV 1
ASSI { 59}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.98407E-02 ppm1 1.755 ppm2 8.221 CV 1
ASSI { 61}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HD1 ))
2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.92918E-02 ppm1 2.981 ppm2 1.614 CV 1
ASSI { 63}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.300 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.91651E-02 ppm1 4.448 ppm2 7.070 CV 1
ASSI { 64}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HB2 ))
2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.91229E-02 ppm1 2.848 ppm2 1.246 CV 1
ASSI { 68}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.200 0.600 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.88693E-02 ppm1 4.452 ppm2 8.224 CV 1
ASSI { 69}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.000 0.500 0.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.88693E-02 ppm1 4.140 ppm2 8.165 CV 1
ASSI { 75}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HE22))
3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.84047E-02 ppm1 2.302 ppm2 6.938 CV 1
ASSI { 77}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HG1 ))
2.600 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.84047E-02 ppm1 2.889 ppm2 1.313 CV 1
ASSI { 101}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.300 0.700 0.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.58284E-02 ppm1 1.801 ppm2 8.570 CV 1
ASSI { 105}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.55327E-02 ppm1 3.651 ppm2 7.077 CV 1
ASSI { 107}
(( segid " " and resid 36 and name HE22))
(( segid " " and resid 36 and name HE21))
1.800 0.400 0.400 peak 107 spectrum 1 weight 0.10000E+01 volume 0.54484E-02 ppm1 6.968 ppm2 7.541 CV 1
ASSI { 112}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.51527E-02 ppm1 1.769 ppm2 8.094 CV 1
ASSI { 114}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 17 and name HE3 ))
3.300 1.300 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.49838E-02 ppm1 7.014 ppm2 7.299 CV 1
ASSI { 115}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HN ))
3.300 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.49838E-02 ppm1 2.103 ppm2 7.932 CV 1
ASSI { 117}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.500 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.48148E-02 ppm1 3.000 ppm2 1.248 CV 1
ASSI { 122}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.46881E-02 ppm1 4.187 ppm2 9.396 CV 1
ASSI { 131}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD2 ))
2.800 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.41051E-02 ppm1 1.248 ppm2 6.676 CV 1
ASSI { 135}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 23 and name HB1 ))
3.300 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.40039E-02 ppm1 3.653 ppm2 2.364 CV 1
ASSI { 142}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.36238E-02 ppm1 1.842 ppm2 8.221 CV 1
ASSI { 146}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 23 and name HB1 ))
3.300 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.35224E-02 ppm1 3.640 ppm2 2.303 CV 1
ASSI { 154}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HN ))
3.000 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.32310E-02 ppm1 2.001 ppm2 8.575 CV 1
ASSI { 161}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 23 and name HG1 ))
2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.30114E-02 ppm1 3.652 ppm2 1.842 CV 1
ASSI { 165}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.28762E-02 ppm1 4.297 ppm2 8.221 CV 1
ASSI { 168}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG2%)
2.800 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.27664E-02 ppm1 4.287 ppm2 1.357 CV 1
ASSI { 174}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB1 ))
2.800 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.26017E-02 ppm1 4.484 ppm2 1.976 CV 1
ASSI { 185}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.600 0.800 0.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.24538E-02 ppm1 4.252 ppm2 7.730 CV 1
ASSI { 186}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HG1 ))
3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.24538E-02 ppm1 1.365 ppm2 0.996 CV 1
ASSI { 196}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB ))
2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.23736E-02 ppm1 4.134 ppm2 2.069 CV 1
ASSI { 203}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.500 1.600 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.22300E-02 ppm1 2.033 ppm2 7.933 CV 1
ASSI { 209}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.20400E-02 ppm1 2.015 ppm2 8.115 CV 1
ASSI { 219}
(( segid " " and resid 4 and name HG1 ))
(( segid " " and resid 4 and name HE ))
3.100 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.19006E-02 ppm1 1.649 ppm2 7.181 CV 1
ASSI { 231}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 29 and name HD% )
2.900 1.000 1.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.17359E-02 ppm1 2.648 ppm2 6.774 CV 1
ASSI { 233}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HB2 ))
3.800 1.800 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.17147E-02 ppm1 2.295 ppm2 1.167 CV 1
ASSI { 242}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.15627E-02 ppm1 5.153 ppm2 8.261 CV 1
ASSI { 252}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 17 and name HE3 ))
2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 6.942 ppm2 7.298 CV 1
ASSI { 253}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HB1 ))
3.700 1.800 1.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 2.287 ppm2 1.235 CV 1
OR { 253}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HB2 ))
ASSI { 255}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HB1 ))
3.600 1.600 1.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 2.295 ppm2 1.237 CV 1
ASSI { 258}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HN ))
3.700 1.700 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 1.628 ppm2 8.260 CV 1
ASSI { 269}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HZ3 ))
4.000 2.000 2.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 3.656 ppm2 6.908 CV 1
ASSI { 273}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 29 and name HN ))
2.900 2.900 3.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 6.788 ppm2 8.928 CV 1
ASSI { 276}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 2.660 ppm2 9.389 CV 1
ASSI { 280}
( segid " " and resid 8 and name HB% )
(( segid " " and resid 8 and name HN ))
3.500 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 1.379 ppm2 8.375 CV 1
ASSI { 282}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 4 and name HN ))
3.800 1.800 1.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 1.816 ppm2 8.397 CV 1
ASSI { 286}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB1 ))
2.900 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.11108E-02 ppm1 2.995 ppm2 1.355 CV 1
ASSI { 293}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HN ))
3.900 1.900 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10812E-02 ppm1 1.255 ppm2 9.396 CV 1
ASSI { 299}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
3.200 1.300 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.10136E-02 ppm1 1.731 ppm2 8.399 CV 1
ASSI { 309}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HN ))
3.900 1.900 1.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.91229E-03 ppm1 4.481 ppm2 7.786 CV 1
ASSI { 313}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HN ))
4.200 2.300 1.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.87851E-03 ppm1 3.132 ppm2 8.121 CV 1
ASSI { 320}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB1 ))
3.800 1.800 1.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.84894E-03 ppm1 4.401 ppm2 2.048 CV 1
ASSI { 325}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HE22))
3.900 1.900 1.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.81090E-03 ppm1 2.065 ppm2 7.007 CV 1
ASSI { 346}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.72223E-03 ppm1 4.449 ppm2 9.381 CV 1
ASSI { 346}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.72223E-03 ppm1 4.449 ppm2 9.381 CV 1
ASSI { 347}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.70955E-03 ppm1 4.429 ppm2 8.377 CV 1
ASSI { 359}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HD1 ))
4.200 2.200 1.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.66308E-03 ppm1 3.614 ppm2 1.590 CV 1
ASSI { 369}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD% )
3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.62087E-03 ppm1 5.279 ppm2 6.774 CV 1
ASSI { 390}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
3.600 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.51106E-03 ppm1 2.999 ppm2 8.221 CV 1
ASSI { 401}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG1 ))
3.400 1.400 1.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.47302E-03 ppm1 5.151 ppm2 1.311 CV 1
ASSI { 405}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HE21))
4.300 2.300 1.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.45613E-03 ppm1 2.310 ppm2 7.541 CV 1
ASSI { 410}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HD1 ))
5.100 3.300 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.43923E-03 ppm1 3.644 ppm2 7.339 CV 1
ASSI { 421}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HD21))
4.000 2.000 2.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.42234E-03 ppm1 2.276 ppm2 6.643 CV 1
ASSI { 429}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HE% )
5.000 3.200 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 5.278 ppm2 6.676 CV 1
ASSI { 453}
(( segid " " and resid 4 and name HD1 ))
(( segid " " and resid 4 and name HB2 ))
4.700 2.800 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.33450E-03 ppm1 3.163 ppm2 1.727 CV 1
ASSI { 474}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HB2 ))
5.600 4.000 0.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.28467E-03 ppm1 2.949 ppm2 2.007 CV 1
ASSI { 502}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
4.000 2.000 2.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.24876E-03 ppm1 5.158 ppm2 8.125 CV 1
ASSI { 538}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
4.900 3.000 1.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.18330E-03 ppm1 4.492 ppm2 8.499 CV 1
ASSI { 549}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HE3 ))
5.900 4.400 0.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17359E-03 ppm1 7.347 ppm2 7.972 CV 1
ASSI { 567}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HA ))
4.800 2.900 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.15965E-03 ppm1 2.654 ppm2 5.265 CV 1
ASSI { 571}
(( segid " " and resid 4 and name HG1 ))
(( segid " " and resid 4 and name HN ))
5.600 4.000 0.400 peak 571 spectrum 1 weight 0.10000E+01 volume 0.15373E-03 ppm1 1.623 ppm2 8.396 CV 1
ASSI { 577}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 17 and name HZ2 ))
6.000 4.900 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.15078E-03 ppm1 6.936 ppm2 7.455 CV 1
ASSI { 580}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HZ3 ))
6.000 5.000 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.14740E-03 ppm1 5.020 ppm2 6.918 CV 1
ASSI { 647}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HZ3 ))
6.000 5.600 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.11066E-03 ppm1 3.126 ppm2 6.916 CV 1
ASSI { 660}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HD2 ))
5.400 3.700 0.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.10390E-03 ppm1 3.960 ppm2 2.275 CV 1
ASSI { 702}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HZ3 ))
6.000 6.000 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.86162E-04 ppm1 3.031 ppm2 6.925 CV 1
ASSI { 750}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HZ2 ))
6.000 6.000 0.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.65041E-04 ppm1 3.688 ppm2 7.293 CV 1
ASSI { 751}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.64619E-04 ppm1 3.882 ppm2 8.637 CV 1
ASSI { 783}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HN ))
6.000 5.900 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.53216E-04 ppm1 1.647 ppm2 8.562 CV 1
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