NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21832 |
2i96   |
6921 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 71}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 56 and name HA ))
4.900 3.000 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.18880E-03 ppm1 -0.482 ppm2 4.989 CV 1
OR { 71}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 56 and name HA ))
ASSI { 76}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 47 and name HA ))
4.100 2.100 1.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.47584E-03 ppm1 -0.478 ppm2 6.169 CV 1
OR { 76}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 47 and name HA ))
ASSI { 94}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 48 and name HG ))
2.800 2.800 3.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.46999E-02 ppm1 -0.071 ppm2 -0.451 CV 1
OR { 94}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 48 and name HG ))
ASSI { 101}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 99 and name HB2 ))
2.900 2.900 3.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.32526E-02 ppm1 -0.066 ppm2 3.628 CV 1
OR { 101}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 99 and name HB2 ))
ASSI { 103}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 55 and name HB2 ))
3.200 3.200 2.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.19472E-02 ppm1 -0.065 ppm2 2.094 CV 1
OR { 103}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 55 and name HB2 ))
ASSI { 146}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 80 and name HB ))
3.400 1.500 1.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.88881E-03 ppm1 0.199 ppm2 2.936 CV 1
OR { 146}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 80 and name HB ))
ASSI { 188}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 55 and name HA ))
3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.16109E-02 ppm1 0.708 ppm2 4.432 CV 1
OR { 188}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 55 and name HA ))
ASSI { 189}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 102 and name HA2 ))
3.800 1.800 1.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.85051E-03 ppm1 0.710 ppm2 4.049 CV 1
OR { 189}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 102 and name HA2 ))
ASSI { 190}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 104 and name HA ))
3.000 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.16800E-02 ppm1 0.714 ppm2 4.585 CV 1
OR { 190}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 104 and name HA ))
ASSI { 199}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 76 and name HA2 ))
3.400 3.400 2.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 0.731 ppm2 3.550 CV 1
OR { 199}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 76 and name HA2 ))
ASSI { 201}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 53 and name HA ))
3.800 1.800 1.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.75819E-03 ppm1 0.733 ppm2 4.759 CV 1
OR { 201}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 53 and name HA ))
ASSI { 203}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 76 and name HA1 ))
3.000 3.000 3.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.14195E-02 ppm1 0.734 ppm2 3.927 CV 1
OR { 203}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 76 and name HA1 ))
ASSI { 206}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 77 and name HA1 ))
2.900 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17675E-02 ppm1 0.742 ppm2 4.225 CV 1
OR { 206}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 77 and name HA1 ))
ASSI { 224}
! ( segid " " and resid 46 and name HG2%)
! (( segid " " and resid 72 and name HD2 ))
! 4.100 2.100 1.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.49225E-03 ppm1 0.803 ppm2 3.370 CV 1
! OR { 224}
! ( segid " " and resid 46 and name HG2%)
! (( segid " " and resid 72 and name HD3 ))
! OR { 224}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HD2 ))
4.100 2.100 1.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.49225E-03 ppm1 0.803 ppm2 3.370 CV 1
OR { 224}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HD3 ))
ASSI { 225}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 75 and name HA ))
2.800 2.800 3.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.41898E-02 ppm1 0.804 ppm2 3.775 CV 1
OR { 225}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 75 and name HA ))
! ASSI { 226}
! (( segid " " and resid 71 and name HB3 ))
! (( segid " " and resid 61 and name HA ))
! 4.000 2.000 2.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.55350E-03 ppm1 0.807 ppm2 4.774 CV 1
! OR { 226}
! ( segid " " and resid 46 and name HG2%)
! (( segid " " and resid 61 and name HA ))
ASSI { 232}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 57 and name HG ))
2.800 2.800 3.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.36770E-02 ppm1 0.824 ppm2 -0.471 CV 1
OR { 232}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 57 and name HG ))
ASSI { 236}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HG ))
2.400 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.58909E-02 ppm1 0.889 ppm2 1.674 CV 1
OR { 236}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 112 and name HG ))
OR { 236}
( segid " " and resid 119 and name HD2%)
(( segid " " and resid 119 and name HG ))
ASSI { 237}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 34 and name HB3 ))
3.000 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.49458E-02 ppm1 0.893 ppm2 1.511 CV 1
OR { 237}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB3 ))
ASSI { 247}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 108 and name HA ))
2.900 2.900 3.100 peak 247 spectrum 1 weight 0.10000E+01 volume 0.10893E-02 ppm1 0.906 ppm2 4.909 CV 1
OR { 247}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 108 and name HA ))
ASSI { 249}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 109 and name HA ))
2.300 2.300 3.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.34416E-02 ppm1 0.907 ppm2 4.077 CV 1
OR { 249}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 109 and name HA ))
ASSI { 252}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 37 and name HB ))
2.600 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.26168E-02 ppm1 0.926 ppm2 1.843 CV 1
OR { 252}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 37 and name HB ))
ASSI { 277}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 102 and name HA1 ))
4.000 2.000 2.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.42873E-03 ppm1 1.056 ppm2 4.396 CV 1
OR { 277}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 102 and name HA1 ))
ASSI { 283}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 29 and name HB ))
2.100 2.100 3.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.34659E-02 ppm1 1.144 ppm2 1.593 CV 1
OR { 283}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 29 and name HB ))
OR { 283}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 29 and name HB ))
OR { 283}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 347}
( segid " " and resid 70 and name HG2%)
(( segid " " and resid 71 and name HA ))
3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.49343E-03 ppm1 1.462 ppm2 3.152 CV 1
OR { 347}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 71 and name HA ))
ASSI { 366}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 102 and name HA1 ))
3.000 1.100 1.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.19226E-02 ppm1 1.593 ppm2 4.394 CV 1
OR { 366}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 102 and name HA1 ))
OR { 366}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 102 and name HA1 ))
OR { 366}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 102 and name HA1 ))
ASSI { 374}
(( segid " " and resid 112 and name HG ))
( segid " " and resid 112 and name HD1%)
2.100 0.600 0.600 peak 374 spectrum 1 weight 0.10000E+01 volume 0.10484E-01 ppm1 1.662 ppm2 0.920 CV 1
OR { 374}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD1%)
OR { 374}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD1%)
OR { 374}
(( segid " " and resid 112 and name HB2 ))
( segid " " and resid 112 and name HD1%)
ASSI { 403}
(( segid " " and resid 114 and name HD3 ))
(( segid " " and resid 114 and name HE3 ))
2.100 0.500 0.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.13703E-01 ppm1 1.745 ppm2 3.057 CV 1
OR { 403}
(( segid " " and resid 111 and name HD3 ))
(( segid " " and resid 111 and name HE2 ))
OR { 403}
(( segid " " and resid 114 and name HD2 ))
(( segid " " and resid 114 and name HE2 ))
OR { 403}
(( segid " " and resid 111 and name HD2 ))
(( segid " " and resid 111 and name HE2 ))
OR { 403}
(( segid " " and resid 111 and name HD3 ))
(( segid " " and resid 111 and name HE3 ))
OR { 403}
(( segid " " and resid 111 and name HD2 ))
(( segid " " and resid 111 and name HE3 ))
OR { 403}
(( segid " " and resid 114 and name HD2 ))
(( segid " " and resid 114 and name HE3 ))
OR { 403}
(( segid " " and resid 114 and name HD3 ))
(( segid " " and resid 114 and name HE2 ))
OR { 403}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HE3 ))
OR { 403}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HE2 ))
ASSI { 412}
(( segid " " and resid 101 and name HB ))
( segid " " and resid 101 and name HD1%)
2.200 0.600 0.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.86007E-02 ppm1 1.772 ppm2 -1.161 CV 1
OR { 412}
(( segid " " and resid 56 and name HB3 ))
( segid " " and resid 101 and name HD1%)
ASSI { 427}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.13798E-02 ppm1 1.826 ppm2 3.630 CV 1
OR { 427}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 37 and name HA ))
ASSI { 432}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 48 and name HB3 ))
4.000 2.000 2.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.36527E-03 ppm1 1.837 ppm2 0.750 CV 1
OR { 432}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 435}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
3.600 1.600 1.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.67499E-03 ppm1 1.863 ppm2 3.006 CV 1
OR { 435}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 47 and name HB2 ))
ASSI { 466}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 71 and name HA ))
4.300 2.300 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.30484E-03 ppm1 2.032 ppm2 3.151 CV 1
OR { 466}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 71 and name HA ))
ASSI { 470}
(( segid " " and resid 110 and name HG3 ))
(( segid " " and resid 110 and name HD2 ))
2.400 0.700 0.700 peak 470 spectrum 1 weight 0.10000E+01 volume 0.49792E-02 ppm1 2.045 ppm2 3.863 CV 1
OR { 470}
(( segid " " and resid 115 and name HG2 ))
(( segid " " and resid 115 and name HD2 ))
OR { 470}
(( segid " " and resid 115 and name HG3 ))
(( segid " " and resid 115 and name HD2 ))
OR { 470}
(( segid " " and resid 110 and name HG2 ))
(( segid " " and resid 110 and name HD2 ))
ASSI { 475}
(( segid " " and resid 116 and name HG2 ))
(( segid " " and resid 116 and name HD3 ))
2.900 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.22102E-02 ppm1 2.060 ppm2 3.681 CV 1
OR { 475}
(( segid " " and resid 115 and name HG3 ))
(( segid " " and resid 115 and name HD3 ))
OR { 475}
(( segid " " and resid 115 and name HG2 ))
(( segid " " and resid 115 and name HD3 ))
ASSI { 482}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 48 and name HB3 ))
3.300 3.300 2.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.32560E-03 ppm1 2.083 ppm2 0.751 CV 1
OR { 482}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 485}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 100 and name HA ))
4.100 2.100 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.53105E-03 ppm1 2.095 ppm2 3.464 CV 1
OR { 485}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 100 and name HA ))
ASSI { 488}
(( segid " " and resid 55 and name HB2 ))
( segid " " and resid 54 and name HG1%)
3.500 3.500 2.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.11955E-02 ppm1 2.105 ppm2 0.566 CV 1
OR { 488}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 54 and name HG1%)
ASSI { 501}
(( segid " " and resid 103 and name HB2 ))
( segid " " and resid 29 and name HG2%)
2.200 2.200 3.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.27071E-02 ppm1 2.187 ppm2 0.354 CV 1
OR { 501}
(( segid " " and resid 27 and name HG2 ))
( segid " " and resid 29 and name HG2%)
ASSI { 507}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HB2 ))
2.100 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.11792E-01 ppm1 2.215 ppm2 1.918 CV 1
OR { 507}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HB3 ))
OR { 507}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HB3 ))
ASSI { 510}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 79 and name HA ))
3.700 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.44277E-03 ppm1 2.220 ppm2 4.463 CV 1
OR { 510}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 79 and name HA ))
ASSI { 514}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 49 and name HD1%)
2.800 2.800 3.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.18372E-02 ppm1 2.245 ppm2 0.738 CV 1
OR { 514}
(( segid " " and resid 41 and name HB2 ))
( segid " " and resid 37 and name HG2%)
OR { 514}
(( segid " " and resid 103 and name HG2 ))
( segid " " and resid 49 and name HD1%)
OR { 514}
(( segid " " and resid 35 and name HG3 ))
( segid " " and resid 37 and name HG2%)
ASSI { 515}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 80 and name HA ))
4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.52697E-03 ppm1 2.245 ppm2 3.876 CV 1
OR { 515}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 80 and name HA ))
! ASSI { 531}
! (( segid " " and resid 40 and name HB2 ))
! (( segid " " and resid 37 and name HA ))
! 3.000 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 2.283 ppm2 3.625 CV 1
! OR { 531}
! (( segid " " and resid 36 and name HG3 ))
! (( segid " " and resid 37 and name HA ))
ASSI { 543}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HB3 ))
1.900 0.500 0.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.94439E-02 ppm1 2.406 ppm2 1.826 CV 1
OR { 543}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 110 and name HB3 ))
ASSI { 577}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 57 and name HD2%)
2.000 2.000 4.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.49452E-02 ppm1 2.570 ppm2 -0.058 CV 1
OR { 577}
(( segid " " and resid 99 and name HB3 ))
( segid " " and resid 57 and name HD2%)
ASSI { 581}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 89 and name HA ))
3.100 3.100 2.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.34148E-03 ppm1 2.573 ppm2 4.963 CV 1
OR { 581}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 89 and name HA ))
! OR { 581}
! (( segid " " and resid 38 and name HG2 ))
! (( segid " " and resid 49 and name HA ))
ASSI { 588}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 109 and name HB3 ))
3.700 3.700 2.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.97659E-03 ppm1 2.600 ppm2 1.131 CV 1
OR { 588}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 109 and name HB3 ))
ASSI { 592}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 106 and name HA ))
3.200 1.300 1.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 2.607 ppm2 3.690 CV 1
OR { 592}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 106 and name HA ))
OR { 592}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 106 and name HA ))
ASSI { 594}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 105 and name HA ))
2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.29413E-02 ppm1 2.611 ppm2 3.759 CV 1
OR { 594}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 105 and name HA ))
ASSI { 595}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 106 and name HD3 ))
3.300 1.300 1.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.97298E-03 ppm1 2.616 ppm2 1.567 CV 1
OR { 595}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 106 and name HD3 ))
ASSI { 597}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 106 and name HD2 ))
3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.10196E-02 ppm1 2.624 ppm2 2.268 CV 1
OR { 597}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 106 and name HD2 ))
ASSI { 599}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 34 and name HB3 ))
2.900 2.900 3.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.67107E-03 ppm1 2.632 ppm2 1.507 CV 1
OR { 599}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 601}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 104 and name HG ))
3.500 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.97796E-03 ppm1 2.648 ppm2 1.823 CV 1
OR { 601}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 104 and name HG ))
ASSI { 615}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 37 and name HA ))
3.800 1.800 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.61281E-03 ppm1 2.717 ppm2 3.628 CV 1
OR { 615}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 37 and name HA ))
ASSI { 623}
(( segid " " and resid 109 and name HD2 ))
(( segid " " and resid 106 and name HA ))
2.900 1.100 1.100 peak 623 spectrum 1 weight 0.10000E+01 volume 0.31474E-02 ppm1 2.822 ppm2 3.690 CV 1
OR { 623}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 106 and name HA ))
! ASSI { 637}
! (( segid " " and resid 64 and name HAC ))
! ( segid " " and resid 70 and name HG2%)
! 4.000 2.000 2.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.48365E-03 ppm1 2.855 ppm2 1.474 CV 1
! OR { 637}
! (( segid " " and resid 68 and name HB2 ))
! ( segid " " and resid 70 and name HG2%)
! OR { 637}
! (( segid " " and resid 68 and name HG2 ))
! ( segid " " and resid 70 and name HG2%)
ASSI { 638}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 61 and name HA ))
3.300 1.400 1.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11765E-02 ppm1 2.858 ppm2 4.775 CV 1
! OR { 638}
! (( segid " " and resid 60 and name HB2 ))
! (( segid " " and resid 61 and name HA ))
OR { 638}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 61 and name HA ))
ASSI { 639}
(( segid " " and resid 68 and name HG3 ))
( segid " " and resid 61 and name HD2%)
2.500 2.500 3.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.58578E-02 ppm1 2.862 ppm2 1.196 CV 1
OR { 639}
(( segid " " and resid 68 and name HG2 ))
( segid " " and resid 61 and name HD2%)
OR { 639}
(( segid " " and resid 60 and name HB2 ))
( segid " " and resid 61 and name HD2%)
ASSI { 653}
(( segid " " and resid 68 and name HG2 ))
( segid " " and resid 61 and name HD1%)
2.700 2.700 3.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.22682E-02 ppm1 2.881 ppm2 1.288 CV 1
! OR { 653}
! (( segid " " and resid 60 and name HB2 ))
! ( segid " " and resid 61 and name HD1%)
OR { 653}
(( segid " " and resid 68 and name HB2 ))
( segid " " and resid 61 and name HD1%)
ASSI { 657}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 50 and name HG ))
2.700 2.700 3.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.69713E-03 ppm1 2.906 ppm2 -1.939 CV 1
OR { 657}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 50 and name HG ))
ASSI { 675}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 40 and name HA ))
4.000 2.000 2.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.29855E-03 ppm1 2.986 ppm2 3.988 CV 1
OR { 675}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 40 and name HA ))
ASSI { 685}
(( segid " " and resid 53 and name HE2 ))
(( segid " " and resid 53 and name HG3 ))
2.700 0.900 0.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.34690E-02 ppm1 3.028 ppm2 1.547 CV 1
OR { 685}
(( segid " " and resid 53 and name HE3 ))
(( segid " " and resid 53 and name HG3 ))
OR { 685}
(( segid " " and resid 97 and name HE3 ))
(( segid " " and resid 97 and name HG2 ))
OR { 685}
(( segid " " and resid 53 and name HE3 ))
(( segid " " and resid 53 and name HG2 ))
OR { 685}
(( segid " " and resid 53 and name HE2 ))
(( segid " " and resid 53 and name HG2 ))
OR { 685}
(( segid " " and resid 97 and name HE3 ))
(( segid " " and resid 97 and name HG3 ))
OR { 685}
(( segid " " and resid 97 and name HE2 ))
(( segid " " and resid 97 and name HG3 ))
ASSI { 688}
(( segid " " and resid 111 and name HE2 ))
(( segid " " and resid 111 and name HD3 ))
2.900 1.100 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 3.039 ppm2 1.762 CV 1
OR { 688}
(( segid " " and resid 44 and name HE2 ))
(( segid " " and resid 44 and name HD2 ))
OR { 688}
(( segid " " and resid 111 and name HE2 ))
(( segid " " and resid 111 and name HD2 ))
OR { 688}
(( segid " " and resid 111 and name HE3 ))
(( segid " " and resid 111 and name HD3 ))
OR { 688}
(( segid " " and resid 111 and name HE3 ))
(( segid " " and resid 111 and name HD2 ))
OR { 688}
(( segid " " and resid 44 and name HE3 ))
(( segid " " and resid 44 and name HD2 ))
OR { 688}
(( segid " " and resid 44 and name HE2 ))
(( segid " " and resid 44 and name HD3 ))
ASSI { 784}
(( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 115 and name HG3 ))
2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.50738E-02 ppm1 3.832 ppm2 2.075 CV 1
OR { 784}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HG2 ))
OR { 784}
(( segid " " and resid 110 and name HD2 ))
(( segid " " and resid 110 and name HG2 ))
ASSI { 833}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 100 and name HA ))
4.000 2.000 2.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.56763E-03 ppm1 4.047 ppm2 3.461 CV 1
OR { 833}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 100 and name HA ))
ASSI { 839}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HA ))
4.100 2.200 1.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.33236E-03 ppm1 4.065 ppm2 5.690 CV 1
OR { 839}
(( segid " " and resid 102 and name HA2 ))
(( segid " " and resid 31 and name HA ))
! ASSI { 842}
! (( segid " " and resid 36 and name HA ))
! (( segid " " and resid 39 and name HE2 ))
! 2.800 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.28352E-02 ppm1 4.070 ppm2 2.919 CV 1
! OR { 842}
! (( segid " " and resid 109 and name HA ))
! (( segid " " and resid 109 and name HD3 ))
! OR { 842}
! (( segid " " and resid 36 and name HA ))
! (( segid " " and resid 39 and name HE3 ))
ASSI { 945}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 58 and name HG2%)
2.400 2.400 3.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.31408E-02 ppm1 4.569 ppm2 1.353 CV 1
OR { 945}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 58 and name HG2%)
ASSI { 946}
(( segid " " and resid 104 and name HA ))
( segid " " and resid 54 and name HG1%)
2.900 2.900 3.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.16102E-02 ppm1 4.570 ppm2 0.564 CV 1
OR { 946}
(( segid " " and resid 101 and name HA ))
( segid " " and resid 54 and name HG1%)
ASSI { 979}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 49 and name HG2%)
3.000 1.100 1.100 peak 979 spectrum 1 weight 0.10000E+01 volume 0.20754E-02 ppm1 4.759 ppm2 0.673 CV 1
OR { 979}
(( segid " " and resid 99 and name HA ))
( segid " " and resid 101 and name HG2%)
! ASSI { 993}
! (( segid " " and resid 62 and name HA ))
! (( segid " " and resid 62 and name HG3 ))
! 3.100 1.200 1.200 peak 993 spectrum 1 weight 0.10000E+01 volume 0.18317E-02 ppm1 4.867 ppm2 2.575 CV 1
! OR { 993}
! (( segid " " and resid 63 and name HA ))
! (( segid " " and resid 62 and name HG3 ))
ASSI { 994}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HG2 ))
2.500 0.800 0.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.53677E-02 ppm1 4.871 ppm2 2.664 CV 1
OR { 994}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HG3 ))
OR { 994}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HG2 ))
ASSI { 1017}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 31 and name HA ))
4.500 2.500 1.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.20505E-03 ppm1 5.140 ppm2 5.694 CV 1
OR { 1017}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 31 and name HA ))
ASSI { 1034}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 61 and name HB2 ))
3.900 1.900 1.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.51361E-03 ppm1 5.772 ppm2 2.388 CV 1
OR { 1034}
(( segid " " and resid 47 and name HH2 ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 1071}
(( segid " " and resid 47 and name HE3 ))
( segid " " and resid 54 and name HG2%)
2.900 1.100 1.100 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.27095E-02 ppm1 6.575 ppm2 0.060 CV 1
OR { 1071}
( segid " " and resid 55 and name HD% )
( segid " " and resid 54 and name HG2%)
! ASSI { 1109}
! ( segid " " and resid 32 and name HD% )
! (( segid " " and resid 36 and name HG3 ))
! 2.900 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.16456E-02 ppm1 6.853 ppm2 2.291 CV 1
! OR { 1109}
! (( segid " " and resid 40 and name HD1 ))
! (( segid " " and resid 36 and name HG3 ))
! ASSI { 1151}
! ( segid " " and resid 60 and name HD% )
! (( segid " " and resid 64 and name HB2 ))
! 3.000 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11644E-02 ppm1 7.536 ppm2 2.409 CV 1
! OR { 1151}
! ( segid " " and resid 60 and name HD% )
! (( segid " " and resid 63 and name HB3 ))
ASSI { 9}
(( segid " " and resid 106 and name HD3 ))
( segid " " and resid 31 and name HD% )
2.800 1.000 1.000 peak 9 spectrum 2 weight 0.10000E+01 volume 0.25599E-02 ppm1 1.575 ppm2 6.840 CV 1
OR { 9}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 31 and name HD% )
OR { 9}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 31 and name HD% )
ASSI { 25}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 42 and name HD2 ))
3.100 1.200 1.200 peak 25 spectrum 2 weight 0.10000E+01 volume 0.23186E-02 ppm1 4.006 ppm2 7.255 CV 1
OR { 25}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 42 and name HD2 ))
ASSI { 58}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 55 and name HE% )
3.300 1.400 1.400 peak 58 spectrum 2 weight 0.10000E+01 volume 0.17980E-02 ppm1 4.060 ppm2 6.488 CV 1
OR { 58}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 55 and name HE% )
ASSI { 63}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 99 and name HE% )
3.700 1.700 1.700 peak 63 spectrum 2 weight 0.10000E+01 volume 0.13046E-02 ppm1 2.575 ppm2 6.845 CV 1
OR { 63}
(( segid " " and resid 99 and name HB3 ))
( segid " " and resid 99 and name HE% )
ASSI { 75}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 105 and name HD2 ))
2.800 1.000 1.000 peak 75 spectrum 2 weight 0.10000E+01 volume 0.49004E-02 ppm1 2.608 ppm2 6.974 CV 1
OR { 75}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 105 and name HD2 ))
ASSI { 8}
(( segid " " and resid 109 and name HA ))
( segid " " and resid 112 and name HD2%)
2.900 2.900 3.100 peak 8 spectrum 3 weight 0.10000E+01 volume 0.45504E-02 ppm1 4.069 ppm2 0.893 CV 1
OR { 8}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 104 and name HD1%)
OR { 8}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 34 and name HD1%)
OR { 8}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 34 and name HD1%)
ASSI { 9}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB2 ))
2.200 0.600 0.600 peak 9 spectrum 3 weight 0.10000E+01 volume 0.11676E-01 ppm1 4.040 ppm2 0.796 CV 1
OR { 9}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 100 and name HD1%)
ASSI { 10}
(( segid " " and resid 49 and name HG13))
( segid " " and resid 49 and name HD1%)
2.000 0.500 0.500 peak 10 spectrum 3 weight 0.10000E+01 volume 0.17399E-01 ppm1 0.541 ppm2 0.727 CV 1
OR { 10}
(( segid " " and resid 49 and name HG13))
( segid " " and resid 37 and name HG2%)
OR { 10}
( segid " " and resid 54 and name HG1%)
( segid " " and resid 37 and name HD1%)
ASSI { 12}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 48 and name HD2%)
2.300 2.300 3.700 peak 12 spectrum 3 weight 0.10000E+01 volume 0.15603E-01 ppm1 1.191 ppm2 0.804 CV 1
OR { 12}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 46 and name HG2%)
ASSI { 14}
(( segid " " and resid 53 and name HD2 ))
( segid " " and resid 100 and name HG2%)
2.800 1.000 1.000 peak 14 spectrum 3 weight 0.10000E+01 volume 0.41739E-02 ppm1 1.660 ppm2 0.727 CV 1
OR { 14}
(( segid " " and resid 53 and name HD3 ))
( segid " " and resid 100 and name HG2%)
OR { 14}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 49 and name HD1%)
OR { 14}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 49 and name HD1%)
ASSI { 18}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 58 and name HG2%)
2.400 2.400 3.600 peak 18 spectrum 3 weight 0.10000E+01 volume 0.49695E-02 ppm1 4.547 ppm2 1.336 CV 1
OR { 18}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 58 and name HG2%)
OR { 18}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 100 and name HG12))
ASSI { 19}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 90 and name HG2%)
1.900 0.400 0.400 peak 19 spectrum 3 weight 0.10000E+01 volume 0.37467E-01 ppm1 4.469 ppm2 1.579 CV 1
OR { 19}
(( segid " " and resid 122 and name HB ))
( segid " " and resid 122 and name HG2%)
ASSI { 23}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 112 and name HB3 ))
1.900 1.900 4.100 peak 23 spectrum 3 weight 0.10000E+01 volume 0.93309E-02 ppm1 1.769 ppm2 1.630 CV 1
OR { 23}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 112 and name HB3 ))
OR { 23}
(( segid " " and resid 101 and name HB ))
(( segid " " and resid 30 and name HB2 ))
OR { 23}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 112 and name HG ))
OR { 23}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 112 and name HB2 ))
OR { 23}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 112 and name HB2 ))
OR { 23}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 112 and name HG ))
ASSI { 24}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HG2 ))
1.800 0.400 0.400 peak 24 spectrum 3 weight 0.10000E+01 volume 0.16407E-01 ppm1 1.751 ppm2 1.938 CV 1
OR { 24}
(( segid " " and resid 97 and name HD2 ))
(( segid " " and resid 97 and name HB3 ))
OR { 24}
(( segid " " and resid 97 and name HD2 ))
(( segid " " and resid 97 and name HB2 ))
ASSI { 26}
(( segid " " and resid 97 and name HG2 ))
(( segid " " and resid 97 and name HB2 ))
2.400 0.700 0.700 peak 26 spectrum 3 weight 0.10000E+01 volume 0.69174E-02 ppm1 1.538 ppm2 1.916 CV 1
OR { 26}
(( segid " " and resid 123 and name HG12))
(( segid " " and resid 123 and name HB ))
OR { 26}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HB3 ))
OR { 26}
(( segid " " and resid 97 and name HG2 ))
(( segid " " and resid 97 and name HB3 ))
OR { 26}
(( segid " " and resid 97 and name HG3 ))
(( segid " " and resid 97 and name HB2 ))
ASSI { 28}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HG ))
2.100 0.600 0.600 peak 28 spectrum 3 weight 0.10000E+01 volume 0.14324E-01 ppm1 0.875 ppm2 1.666 CV 1
OR { 28}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 112 and name HG ))
OR { 28}
( segid " " and resid 119 and name HD2%)
(( segid " " and resid 119 and name HG ))
OR { 28}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 112 and name HB3 ))
OR { 28}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB2 ))
OR { 28}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 112 and name HB2 ))
ASSI { 30}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 61 and name HD2%)
2.700 2.700 3.300 peak 30 spectrum 3 weight 0.10000E+01 volume 0.53540E-02 ppm1 2.659 ppm2 1.186 CV 1
OR { 30}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 33 and name HG2%)
! OR { 30}
! (( segid " " and resid 62 and name HG2 ))
! ( segid " " and resid 61 and name HD2%)
ASSI { 32}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HD2 ))
2.800 1.000 1.000 peak 32 spectrum 3 weight 0.10000E+01 volume 0.30149E-02 ppm1 2.056 ppm2 1.754 CV 1
OR { 32}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HG3 ))
OR { 32}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HD3 ))
ASSI { 33}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HG3 ))
1.700 0.400 0.500 peak 33 spectrum 3 weight 0.10000E+01 volume 0.16523E-01 ppm1 1.950 ppm2 1.749 CV 1
OR { 33}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 97 and name HD2 ))
! ASSI { 35}
! (( segid " " and resid 105 and name HB2 ))
! ( segid " " and resid 33 and name HG2%)
! 2.700 2.700 3.300 peak 35 spectrum 3 weight 0.10000E+01 volume 0.57398E-02 ppm1 2.875 ppm2 1.187 CV 1
! OR { 35}
! (( segid " " and resid 60 and name HB2 ))
! ( segid " " and resid 61 and name HD2%)
ASSI { 36}
(( segid " " and resid 113 and name HB2 ))
(( segid " " and resid 112 and name HG ))
3.100 1.200 1.200 peak 36 spectrum 3 weight 0.10000E+01 volume 0.37464E-02 ppm1 2.843 ppm2 1.659 CV 1
OR { 36}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 57 and name HB2 ))
ASSI { 38}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 40 and name HB2 ))
2.600 0.800 0.800 peak 38 spectrum 3 weight 0.10000E+01 volume 0.40584E-02 ppm1 6.850 ppm2 2.269 CV 1
OR { 38}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 106 and name HD2 ))
ASSI { 39}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HB3 ))
1.700 0.300 0.500 peak 39 spectrum 3 weight 0.10000E+01 volume 0.24597E-01 ppm1 2.399 ppm2 2.270 CV 1
OR { 39}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 73 and name HG3 ))
ASSI { 41}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HG3 ))
2.600 0.800 0.800 peak 41 spectrum 3 weight 0.10000E+01 volume 0.56106E-02 ppm1 1.925 ppm2 2.271 CV 1
OR { 41}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HG2 ))
ASSI { 43}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 110 and name HG2 ))
2.400 0.700 0.700 peak 43 spectrum 3 weight 0.10000E+01 volume 0.80829E-02 ppm1 1.825 ppm2 2.055 CV 1
OR { 43}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HG2 ))
OR { 43}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 110 and name HG3 ))
ASSI { 50}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HB3 ))
2.300 0.600 0.600 peak 50 spectrum 3 weight 0.10000E+01 volume 0.10704E-01 ppm1 2.647 ppm2 2.374 CV 1
OR { 50}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HB3 ))
OR { 50}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HB3 ))
ASSI { 61}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HB3 ))
1.800 0.400 0.400 peak 61 spectrum 3 weight 0.10000E+01 volume 0.16755E-01 ppm1 2.838 ppm2 2.647 CV 1
OR { 61}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HB3 ))
ASSI { 62}
(( segid " " and resid 109 and name HD2 ))
(( segid " " and resid 106 and name HA ))
3.100 1.200 1.200 peak 62 spectrum 3 weight 0.10000E+01 volume 0.41413E-02 ppm1 2.822 ppm2 3.677 CV 1
OR { 62}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 106 and name HA ))
OR { 62}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 106 and name HA ))
ASSI { 63}
(( segid " " and resid 93 and name HG3 ))
(( segid " " and resid 93 and name HG2 ))
1.900 0.400 0.400 peak 63 spectrum 3 weight 0.10000E+01 volume 0.12730E-01 ppm1 2.784 ppm2 3.044 CV 1
OR { 63}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HG2 ))
ASSI { 69}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HA ))
2.200 0.600 0.600 peak 69 spectrum 3 weight 0.10000E+01 volume 0.14640E-01 ppm1 2.515 ppm2 4.870 CV 1
OR { 69}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HA ))
ASSI { 73}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 81 and name HA ))
3.000 1.200 1.200 peak 73 spectrum 3 weight 0.10000E+01 volume 0.42698E-02 ppm1 2.415 ppm2 3.946 CV 1
OR { 73}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 35 and name HA ))
OR { 73}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 34 and name HA ))
ASSI { 74}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HA ))
2.300 0.700 0.700 peak 74 spectrum 3 weight 0.10000E+01 volume 0.10723E-01 ppm1 2.380 ppm2 4.870 CV 1
OR { 74}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 63 and name HA ))
ASSI { 76}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HA ))
2.600 0.800 0.800 peak 76 spectrum 3 weight 0.10000E+01 volume 0.61403E-02 ppm1 2.277 ppm2 3.983 CV 1
OR { 76}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HA ))
ASSI { 77}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 76 and name HA1 ))
2.700 0.900 0.900 peak 77 spectrum 3 weight 0.10000E+01 volume 0.49735E-02 ppm1 2.272 ppm2 3.908 CV 1
OR { 77}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 80}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HA ))
2.100 0.500 0.500 peak 80 spectrum 3 weight 0.10000E+01 volume 0.20213E-01 ppm1 2.260 ppm2 4.090 CV 1
OR { 80}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 70 and name HA ))
ASSI { 81}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HA ))
2.800 1.000 1.000 peak 81 spectrum 3 weight 0.10000E+01 volume 0.47817E-02 ppm1 2.241 ppm2 4.758 CV 1
OR { 81}
(( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 53 and name HA ))
ASSI { 85}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HA ))
2.900 1.100 1.100 peak 85 spectrum 3 weight 0.10000E+01 volume 0.46033E-02 ppm1 2.080 ppm2 4.425 CV 1
OR { 85}
(( segid " " and resid 110 and name HG2 ))
(( segid " " and resid 110 and name HA ))
OR { 85}
(( segid " " and resid 110 and name HG3 ))
(( segid " " and resid 110 and name HA ))
ASSI { 91}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HA ))
2.200 0.600 0.600 peak 91 spectrum 3 weight 0.10000E+01 volume 0.90282E-02 ppm1 1.838 ppm2 3.963 CV 1
OR { 91}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 34 and name HA ))
ASSI { 92}
(( segid " " and resid 64 and name HB3 ))
(( segid " " and resid 64 and name HA ))
2.300 0.700 0.700 peak 92 spectrum 3 weight 0.10000E+01 volume 0.42126E-02 ppm1 1.821 ppm2 4.467 CV 1
OR { 92}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 110 and name HA ))
ASSI { 94}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HE3 ))
2.400 0.700 0.700 peak 94 spectrum 3 weight 0.10000E+01 volume 0.80225E-02 ppm1 1.760 ppm2 3.045 CV 1
OR { 94}
(( segid " " and resid 111 and name HD3 ))
(( segid " " and resid 111 and name HE2 ))
OR { 94}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HE2 ))
OR { 94}
(( segid " " and resid 111 and name HD2 ))
(( segid " " and resid 111 and name HE2 ))
OR { 94}
(( segid " " and resid 111 and name HD3 ))
(( segid " " and resid 111 and name HE3 ))
OR { 94}
(( segid " " and resid 111 and name HD2 ))
(( segid " " and resid 111 and name HE3 ))
OR { 94}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HE3 ))
OR { 94}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HE2 ))
ASSI { 98}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
2.200 0.600 0.600 peak 98 spectrum 3 weight 0.10000E+01 volume 0.16949E-01 ppm1 1.591 ppm2 4.049 CV 1
OR { 98}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
OR { 98}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
OR { 98}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HA ))
OR { 98}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HA ))
ASSI { 101}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HE2 ))
2.700 0.900 0.900 peak 101 spectrum 3 weight 0.10000E+01 volume 0.39494E-02 ppm1 1.543 ppm2 3.021 CV 1
OR { 101}
(( segid " " and resid 97 and name HG2 ))
(( segid " " and resid 97 and name HE2 ))
OR { 101}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 44 and name HE3 ))
OR { 101}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HE3 ))
OR { 101}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HE3 ))
OR { 101}
(( segid " " and resid 97 and name HG3 ))
(( segid " " and resid 97 and name HE3 ))
OR { 101}
(( segid " " and resid 97 and name HG3 ))
(( segid " " and resid 97 and name HE2 ))
ASSI { 102}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HE3 ))
2.600 0.900 0.900 peak 102 spectrum 3 weight 0.10000E+01 volume 0.59899E-02 ppm1 1.468 ppm2 3.049 CV 1
OR { 102}
(( segid " " and resid 114 and name HG3 ))
(( segid " " and resid 114 and name HE2 ))
OR { 102}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HE2 ))
OR { 102}
(( segid " " and resid 114 and name HG2 ))
(( segid " " and resid 114 and name HE2 ))
OR { 102}
(( segid " " and resid 114 and name HG3 ))
(( segid " " and resid 114 and name HE3 ))
OR { 102}
(( segid " " and resid 114 and name HG2 ))
(( segid " " and resid 114 and name HE3 ))
OR { 102}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 111 and name HE3 ))
ASSI { 110}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 105 and name HB2 ))
2.700 0.900 0.900 peak 110 spectrum 3 weight 0.10000E+01 volume 0.54584E-02 ppm1 1.192 ppm2 2.870 CV 1
OR { 110}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 68 and name HG3 ))
ASSI { 114}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 109 and name HA ))
2.500 2.500 3.500 peak 114 spectrum 3 weight 0.10000E+01 volume 0.46429E-02 ppm1 0.896 ppm2 4.067 CV 1
OR { 114}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 109 and name HA ))
OR { 114}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 36 and name HA ))
OR { 114}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 54 and name HA ))
ASSI { 115}
( segid " " and resid 119 and name HD2%)
(( segid " " and resid 119 and name HA ))
2.600 0.800 0.800 peak 115 spectrum 3 weight 0.10000E+01 volume 0.79113E-02 ppm1 0.859 ppm2 4.312 CV 1
OR { 115}
( segid " " and resid 123 and name HD1%)
(( segid " " and resid 123 and name HA ))
ASSI { 119}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 34 and name HA ))
2.400 2.400 3.600 peak 119 spectrum 3 weight 0.10000E+01 volume 0.97821E-02 ppm1 0.728 ppm2 3.958 CV 1
OR { 119}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 34 and name HA ))
OR { 119}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 34 and name HA ))
ASSI { 120}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 104 and name HA ))
2.600 0.900 0.900 peak 120 spectrum 3 weight 0.10000E+01 volume 0.55191E-02 ppm1 0.724 ppm2 4.574 CV 1
OR { 120}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 101 and name HA ))
OR { 120}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 104 and name HA ))
OR { 120}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 33 and name HA ))
ASSI { 131}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 31 and name HB2 ))
2.400 0.700 0.700 peak 131 spectrum 3 weight 0.10000E+01 volume 0.43567E-02 ppm1 6.840 ppm2 2.836 CV 1
OR { 131}
( segid " " and resid 99 and name HE% )
(( segid " " and resid 60 and name HB2 ))
ASSI { 145}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 93 and name HD3 ))
2.500 0.800 0.800 peak 145 spectrum 3 weight 0.10000E+01 volume 0.60945E-02 ppm1 4.468 ppm2 3.795 CV 1
OR { 145}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 75 and name HA ))
ASSI { 149}
(( segid " " and resid 95 and name HB3 ))
(( segid " " and resid 95 and name HG2 ))
2.400 0.700 0.700 peak 149 spectrum 3 weight 0.10000E+01 volume 0.48070E-02 ppm1 2.243 ppm2 2.585 CV 1
OR { 149}
(( segid " " and resid 106 and name HD2 ))
(( segid " " and resid 105 and name HB3 ))
ASSI { 150}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 60 and name HB3 ))
3.000 3.000 3.000 peak 150 spectrum 3 weight 0.10000E+01 volume 0.50252E-02 ppm1 2.230 ppm2 2.565 CV 1
OR { 150}
(( segid " " and resid 94 and name HB3 ))
(( segid " " and resid 93 and name HB2 ))
! OR { 150}
! (( segid " " and resid 41 and name HB2 ))
! (( segid " " and resid 38 and name HG2 ))
ASSI { 154}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 49 and name HD1%)
3.100 1.200 1.200 peak 154 spectrum 3 weight 0.10000E+01 volume 0.40522E-02 ppm1 4.766 ppm2 0.732 CV 1
OR { 154}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 100 and name HG2%)
OR { 154}
(( segid " " and resid 99 and name HA ))
( segid " " and resid 100 and name HG2%)
ASSI { 155}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 49 and name HG2%)
2.800 1.000 1.000 peak 155 spectrum 3 weight 0.10000E+01 volume 0.42281E-02 ppm1 4.766 ppm2 0.657 CV 1
OR { 155}
(( segid " " and resid 99 and name HA ))
( segid " " and resid 101 and name HG2%)
OR { 155}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 49 and name HG2%)
ASSI { 170}
(( segid " " and resid 116 and name HG2 ))
(( segid " " and resid 116 and name HB3 ))
2.000 0.500 0.500 peak 170 spectrum 3 weight 0.10000E+01 volume 0.23251E-01 ppm1 2.063 ppm2 1.967 CV 1
OR { 170}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HG2 ))
OR { 170}
(( segid " " and resid 115 and name HG3 ))
(( segid " " and resid 115 and name HB3 ))
ASSI { 174}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB3 ))
2.600 0.800 0.800 peak 174 spectrum 3 weight 0.10000E+01 volume 0.40373E-02 ppm1 4.268 ppm2 1.041 CV 1
OR { 174}
(( segid " " and resid 120 and name HA ))
( segid " " and resid 120 and name HG2%)
ASSI { 179}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB2 ))
2.600 0.900 0.900 peak 179 spectrum 3 weight 0.10000E+01 volume 0.85920E-02 ppm1 4.569 ppm2 2.567 CV 1
OR { 179}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 105 and name HB3 ))
ASSI { 185}
(( segid " " and resid 77 and name HA2 ))
(( segid " " and resid 54 and name HA ))
2.100 2.100 3.900 peak 185 spectrum 3 weight 0.10000E+01 volume 0.35982E-02 ppm1 3.579 ppm2 4.093 CV 1
OR { 185}
(( segid " " and resid 76 and name HA2 ))
(( segid " " and resid 54 and name HA ))
OR { 185}
(( segid " " and resid 77 and name HA2 ))
(( segid " " and resid 36 and name HA ))
OR { 185}
(( segid " " and resid 98 and name HB ))
(( segid " " and resid 54 and name HA ))
ASSI { 192}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB3 ))
2.600 0.900 0.900 peak 192 spectrum 3 weight 0.10000E+01 volume 0.53397E-02 ppm1 4.035 ppm2 1.337 CV 1
OR { 192}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG3 ))
OR { 192}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 100 and name HG12))
ASSI { 193}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HE2 ))
2.200 0.600 0.600 peak 193 spectrum 3 weight 0.10000E+01 volume 0.14311E-01 ppm1 1.593 ppm2 2.905 CV 1
OR { 193}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HE3 ))
OR { 193}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HE2 ))
OR { 193}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HE2 ))
OR { 193}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE3 ))
OR { 193}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HE2 ))
OR { 193}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HE3 ))
ASSI { 196}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HB2 ))
1.600 0.300 0.600 peak 196 spectrum 3 weight 0.10000E+01 volume 0.19600E-01 ppm1 3.534 ppm2 3.841 CV 1
OR { 196}
(( segid " " and resid 96 and name HB3 ))
(( segid " " and resid 96 and name HB2 ))
OR { 196}
(( segid " " and resid 110 and name HD3 ))
(( segid " " and resid 110 and name HD2 ))
ASSI { 197}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 106 and name HD3 ))
2.200 0.600 0.600 peak 197 spectrum 3 weight 0.10000E+01 volume 0.69788E-02 ppm1 3.754 ppm2 1.564 CV 1
OR { 197}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB ))
ASSI { 208}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.200 0.600 0.600 peak 208 spectrum 3 weight 0.10000E+01 volume 0.16926E-01 ppm1 4.041 ppm2 1.594 CV 1
OR { 208}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
OR { 208}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
OR { 208}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG2 ))
ASSI { 214}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HD% )
2.500 0.800 0.800 peak 214 spectrum 3 weight 0.10000E+01 volume 0.68318E-02 ppm1 2.612 ppm2 6.835 CV 1
OR { 214}
(( segid " " and resid 95 and name HG3 ))
( segid " " and resid 99 and name HE% )
OR { 214}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 99 and name HE% )
ASSI { 218}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HD% )
2.600 0.800 0.800 peak 218 spectrum 3 weight 0.10000E+01 volume 0.68521E-02 ppm1 5.118 ppm2 6.867 CV 1
OR { 218}
(( segid " " and resid 103 and name HA ))
( segid " " and resid 31 and name HD% )
ASSI { 234}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HB2 ))
1.700 0.400 0.500 peak 234 spectrum 3 weight 0.10000E+01 volume 0.19489E-01 ppm1 1.521 ppm2 1.646 CV 1
OR { 234}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HD3 ))
OR { 234}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HG ))
ASSI { 237}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HB3 ))
2.500 0.800 0.800 peak 237 spectrum 3 weight 0.10000E+01 volume 0.57688E-02 ppm1 2.266 ppm2 1.922 CV 1
OR { 237}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HB2 ))
OR { 237}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HB3 ))
OR { 237}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 246}
(( segid " " and resid 37 and name HG12))
(( segid " " and resid 37 and name HG13))
2.000 0.500 0.500 peak 246 spectrum 3 weight 0.10000E+01 volume 0.61322E-02 ppm1 2.042 ppm2 0.930 CV 1
OR { 246}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HB3 ))
ASSI { 247}
(( segid " " and resid 37 and name HG13))
( segid " " and resid 37 and name HD1%)
2.000 0.500 0.500 peak 247 spectrum 3 weight 0.10000E+01 volume 0.16789E-01 ppm1 0.918 ppm2 0.727 CV 1
OR { 247}
( segid " " and resid 104 and name HD1%)
( segid " " and resid 49 and name HD1%)
OR { 247}
( segid " " and resid 104 and name HD1%)
( segid " " and resid 37 and name HD1%)
OR { 247}
(( segid " " and resid 37 and name HG13))
( segid " " and resid 37 and name HG2%)
OR { 247}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 49 and name HD1%)
ASSI { 252}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
1.700 0.400 0.500 peak 252 spectrum 3 weight 0.10000E+01 volume 0.17994E-01 ppm1 2.118 ppm2 1.956 CV 1
OR { 252}
(( segid " " and resid 116 and name HG3 ))
(( segid " " and resid 116 and name HB3 ))
ASSI { 274}
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 106 and name HG2 ))
2.400 0.700 0.700 peak 274 spectrum 3 weight 0.10000E+01 volume 0.63012E-02 ppm1 2.157 ppm2 1.544 CV 1
OR { 274}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HG2 ))
OR { 274}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HG3 ))
ASSI { 279}
(( segid " " and resid 103 and name HB3 ))
(( segid " " and resid 103 and name HB2 ))
1.600 0.300 0.600 peak 279 spectrum 3 weight 0.10000E+01 volume 0.26460E-01 ppm1 1.731 ppm2 2.159 CV 1
OR { 279}
(( segid " " and resid 106 and name HB3 ))
(( segid " " and resid 106 and name HB2 ))
ASSI { 280}
(( segid " " and resid 101 and name HB ))
(( segid " " and resid 101 and name HA ))
2.100 0.600 0.600 peak 280 spectrum 3 weight 0.10000E+01 volume 0.16631E-01 ppm1 1.758 ppm2 4.549 CV 1
OR { 280}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HA ))
ASSI { 321}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 49 and name HG13))
2.200 0.600 0.600 peak 321 spectrum 3 weight 0.10000E+01 volume 0.95828E-02 ppm1 0.731 ppm2 0.513 CV 1
OR { 321}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 49 and name HG13))
ASSI { 323}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 54 and name HB ))
2.100 2.100 3.900 peak 323 spectrum 3 weight 0.10000E+01 volume 0.16232E-01 ppm1 0.729 ppm2 1.038 CV 1
OR { 323}
( segid " " and resid 49 and name HD1%)
( segid " " and resid 104 and name HD2%)
OR { 323}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 54 and name HB ))
OR { 323}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 54 and name HB ))
ASSI { 336}
(( segid " " and resid 101 and name HG12))
(( segid " " and resid 101 and name HG13))
2.000 0.500 0.500 peak 336 spectrum 3 weight 0.10000E+01 volume 0.61244E-02 ppm1 0.191 ppm2 -0.060 CV 1
OR { 336}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 50 and name HD1%)
ASSI { 337}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 50 and name HD2%)
2.200 2.200 3.800 peak 337 spectrum 3 weight 0.10000E+01 volume 0.14351E-01 ppm1 0.192 ppm2 -0.776 CV 1
OR { 337}
( segid " " and resid 79 and name HB% )
( segid " " and resid 50 and name HD2%)
ASSI { 342}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 55 and name HD% )
2.700 2.700 3.300 peak 342 spectrum 3 weight 0.10000E+01 volume 0.71068E-02 ppm1 -0.067 ppm2 6.596 CV 1
OR { 342}
( segid " " and resid 57 and name HD2%)
( segid " " and resid 55 and name HD% )
ASSI { 357}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
2.200 0.600 0.600 peak 357 spectrum 3 weight 0.10000E+01 volume 0.78073E-02 ppm1 4.757 ppm2 1.370 CV 1
OR { 357}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 49 and name HB ))
ASSI { 364}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HG1%)
2.500 0.800 0.800 peak 364 spectrum 3 weight 0.10000E+01 volume 0.87682E-02 ppm1 4.073 ppm2 0.550 CV 1
OR { 364}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 49 and name HG13))
ASSI { 381}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HB3 ))
1.700 0.400 0.500 peak 381 spectrum 3 weight 0.10000E+01 volume 0.14248E-01 ppm1 2.084 ppm2 1.879 CV 1
OR { 381}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HB3 ))
ASSI { 388}
(( segid " " and resid 55 and name HB3 ))
( segid " " and resid 57 and name HD2%)
3.000 3.000 3.000 peak 388 spectrum 3 weight 0.10000E+01 volume 0.45314E-02 ppm1 1.878 ppm2 -0.074 CV 1
OR { 388}
(( segid " " and resid 55 and name HB3 ))
( segid " " and resid 50 and name HD1%)
ASSI { 389}
(( segid " " and resid 47 and name HE3 ))
(( segid " " and resid 37 and name HA ))
2.000 0.500 0.500 peak 389 spectrum 3 weight 0.10000E+01 volume 0.97382E-02 ppm1 6.588 ppm2 3.609 CV 1
OR { 389}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 99 and name HB2 ))
ASSI { 393}
( segid " " and resid 55 and name HD% )
( segid " " and resid 50 and name HD1%)
2.900 2.900 3.100 peak 393 spectrum 3 weight 0.10000E+01 volume 0.55206E-02 ppm1 6.599 ppm2 -0.072 CV 1
OR { 393}
( segid " " and resid 55 and name HD% )
( segid " " and resid 57 and name HD2%)
OR { 393}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 101 and name HG13))
ASSI { 407}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HB3 ))
1.700 0.300 0.500 peak 407 spectrum 3 weight 0.10000E+01 volume 0.17399E-01 ppm1 1.666 ppm2 1.039 CV 1
OR { 407}
(( segid " " and resid 104 and name HB2 ))
( segid " " and resid 104 and name HD2%)
ASSI { 436}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB3 ))
2.600 0.800 0.800 peak 436 spectrum 3 weight 0.10000E+01 volume 0.41531E-02 ppm1 4.545 ppm2 1.900 CV 1
OR { 436}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HD3 ))
OR { 436}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HD2 ))
ASSI { 437}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HA ))
2.600 0.800 0.800 peak 437 spectrum 3 weight 0.10000E+01 volume 0.82691E-02 ppm1 2.216 ppm2 4.568 CV 1
OR { 437}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 104 and name HA ))
ASSI { 438}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
1.800 0.400 0.400 peak 438 spectrum 3 weight 0.10000E+01 volume 0.20378E-01 ppm1 2.220 ppm2 2.002 CV 1
OR { 438}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 441}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG2 ))
2.600 0.900 0.900 peak 441 spectrum 3 weight 0.10000E+01 volume 0.57507E-02 ppm1 1.885 ppm2 2.206 CV 1
OR { 441}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HG3 ))
OR { 441}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG3 ))
OR { 441}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HG3 ))
ASSI { 447}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HB3 ))
1.600 0.300 0.600 peak 447 spectrum 3 weight 0.10000E+01 volume 0.24539E-01 ppm1 2.858 ppm2 2.583 CV 1
OR { 447}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HB3 ))
ASSI { 449}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 57 and name HD2%)
2.200 0.600 0.600 peak 449 spectrum 3 weight 0.10000E+01 volume 0.42680E-02 ppm1 2.567 ppm2 -0.074 CV 1
OR { 449}
(( segid " " and resid 99 and name HB3 ))
( segid " " and resid 57 and name HD2%)
OR { 449}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 101 and name HG13))
ASSI { 457}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 115 and name HB2 ))
2.800 1.000 1.000 peak 457 spectrum 3 weight 0.10000E+01 volume 0.40482E-02 ppm1 4.762 ppm2 2.373 CV 1
OR { 457}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB2 ))
ASSI { 458}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB3 ))
2.500 0.800 0.800 peak 458 spectrum 3 weight 0.10000E+01 volume 0.58006E-02 ppm1 4.761 ppm2 2.087 CV 1
OR { 458}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 115 and name HG3 ))
OR { 458}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 116 and name HG3 ))
ASSI { 463}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HB3 ))
1.800 0.400 0.400 peak 463 spectrum 3 weight 0.10000E+01 volume 0.22125E-01 ppm1 2.373 ppm2 2.081 CV 1
OR { 463}
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 115 and name HG3 ))
OR { 463}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 110 and name HG2 ))
ASSI { 466}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 466 spectrum 3 weight 0.10000E+01 volume 0.62075E-02 ppm1 2.090 ppm2 4.758 CV 1
OR { 466}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HA ))
OR { 466}
(( segid " " and resid 115 and name HG3 ))
(( segid " " and resid 115 and name HA ))
OR { 466}
(( segid " " and resid 116 and name HG3 ))
(( segid " " and resid 115 and name HA ))
ASSI { 467}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HB2 ))
1.800 0.400 0.400 peak 467 spectrum 3 weight 0.10000E+01 volume 0.22725E-01 ppm1 2.086 ppm2 2.369 CV 1
OR { 467}
(( segid " " and resid 115 and name HG3 ))
(( segid " " and resid 115 and name HB2 ))
OR { 467}
(( segid " " and resid 116 and name HG3 ))
(( segid " " and resid 116 and name HB2 ))
OR { 467}
(( segid " " and resid 110 and name HG2 ))
(( segid " " and resid 110 and name HB2 ))
OR { 467}
(( segid " " and resid 116 and name HG2 ))
(( segid " " and resid 116 and name HB2 ))
ASSI { 481}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HA ))
2.600 0.800 0.800 peak 481 spectrum 3 weight 0.10000E+01 volume 0.56776E-02 ppm1 2.576 ppm2 4.570 CV 1
OR { 481}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HA ))
OR { 481}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 33 and name HA ))
ASSI { 482}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 108 and name HB3 ))
2.500 0.800 0.800 peak 482 spectrum 3 weight 0.10000E+01 volume 0.86222E-02 ppm1 4.881 ppm2 2.655 CV 1
OR { 482}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HG2 ))
OR { 482}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HG3 ))
ASSI { 496}
(( segid " " and resid 92 and name HA ))
( segid " " and resid 92 and name HB% )
2.500 0.800 0.800 peak 496 spectrum 3 weight 0.10000E+01 volume 0.71401E-02 ppm1 4.225 ppm2 2.498 CV 1
OR { 496}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB2 ))
ASSI { 498}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HB3 ))
1.500 0.300 0.700 peak 498 spectrum 3 weight 0.10000E+01 volume 0.44143E-01 ppm1 2.512 ppm2 2.371 CV 1
OR { 498}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HB3 ))
ASSI { 502}
(( segid " " and resid 106 and name HD2 ))
(( segid " " and resid 106 and name HD3 ))
1.800 0.400 0.400 peak 502 spectrum 3 weight 0.10000E+01 volume 0.18037E-01 ppm1 2.257 ppm2 1.559 CV 1
OR { 502}
(( segid " " and resid 70 and name HB ))
( segid " " and resid 70 and name HG1%)
ASSI { 503}
(( segid " " and resid 106 and name HD3 ))
(( segid " " and resid 106 and name HD2 ))
1.800 0.400 0.400 peak 503 spectrum 3 weight 0.10000E+01 volume 0.19604E-01 ppm1 1.561 ppm2 2.255 CV 1
OR { 503}
( segid " " and resid 70 and name HG1%)
(( segid " " and resid 70 and name HB ))
OR { 503}
(( segid " " and resid 106 and name HG2 ))
(( segid " " and resid 106 and name HD2 ))
ASSI { 506}
(( segid " " and resid 110 and name HD2 ))
(( segid " " and resid 110 and name HG3 ))
2.300 0.700 0.700 peak 506 spectrum 3 weight 0.10000E+01 volume 0.80617E-02 ppm1 3.838 ppm2 2.061 CV 1
OR { 506}
(( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 115 and name HG2 ))
OR { 506}
(( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 115 and name HG3 ))
OR { 506}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HG2 ))
OR { 506}
(( segid " " and resid 110 and name HD2 ))
(( segid " " and resid 110 and name HG2 ))
ASSI { 510}
(( segid " " and resid 110 and name HG3 ))
(( segid " " and resid 110 and name HD2 ))
2.300 0.700 0.700 peak 510 spectrum 3 weight 0.10000E+01 volume 0.83277E-02 ppm1 2.065 ppm2 3.836 CV 1
OR { 510}
(( segid " " and resid 115 and name HG3 ))
(( segid " " and resid 115 and name HD2 ))
OR { 510}
(( segid " " and resid 116 and name HG2 ))
(( segid " " and resid 116 and name HD2 ))
OR { 510}
(( segid " " and resid 110 and name HG2 ))
(( segid " " and resid 110 and name HD2 ))
ASSI { 514}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HA ))
2.300 0.700 0.700 peak 514 spectrum 3 weight 0.10000E+01 volume 0.91120E-02 ppm1 1.974 ppm2 3.835 CV 1
OR { 514}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 72 and name HA ))
OR { 514}
(( segid " " and resid 115 and name HB3 ))
(( segid " " and resid 115 and name HD2 ))
OR { 514}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HD2 ))
ASSI { 516}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HA ))
2.700 0.900 0.900 peak 516 spectrum 3 weight 0.10000E+01 volume 0.56723E-02 ppm1 1.747 ppm2 3.836 CV 1
OR { 516}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 115 and name HD2 ))
OR { 516}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 115 and name HD2 ))
ASSI { 522}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HB3 ))
1.700 0.400 0.500 peak 522 spectrum 3 weight 0.10000E+01 volume 0.24661E-01 ppm1 1.819 ppm2 0.895 CV 1
OR { 522}
(( segid " " and resid 104 and name HG ))
( segid " " and resid 104 and name HD1%)
ASSI { 528}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HA ))
2.700 0.900 0.900 peak 528 spectrum 3 weight 0.10000E+01 volume 0.55004E-02 ppm1 1.451 ppm2 4.175 CV 1
OR { 528}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HA ))
ASSI { 536}
(( segid " " and resid 76 and name HA1 ))
(( segid " " and resid 76 and name HA2 ))
1.900 0.400 0.400 peak 536 spectrum 3 weight 0.10000E+01 volume 0.16874E-01 ppm1 3.897 ppm2 3.551 CV 1
OR { 536}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB ))
OR { 536}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 537}
(( segid " " and resid 76 and name HA2 ))
(( segid " " and resid 76 and name HA1 ))
1.900 0.500 0.500 peak 537 spectrum 3 weight 0.10000E+01 volume 0.11677E-01 ppm1 3.547 ppm2 3.921 CV 1
OR { 537}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HA ))
ASSI { 541}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 79 and name HB% )
2.000 0.500 0.500 peak 541 spectrum 3 weight 0.10000E+01 volume 0.21163E-01 ppm1 4.452 ppm2 0.189 CV 1
OR { 541}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 101 and name HG12))
ASSI { 546}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 80 and name HA ))
2.400 0.700 0.700 peak 546 spectrum 3 weight 0.10000E+01 volume 0.58837E-02 ppm1 2.927 ppm2 3.867 CV 1
OR { 546}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 80 and name HA ))
ASSI { 549}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB3 ))
2.300 0.600 0.600 peak 549 spectrum 3 weight 0.10000E+01 volume 0.88940E-02 ppm1 4.306 ppm2 2.222 CV 1
OR { 549}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB2 ))
ASSI { 563}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HB2 ))
1.800 0.400 0.400 peak 563 spectrum 3 weight 0.10000E+01 volume 0.12748E-01 ppm1 2.412 ppm2 3.131 CV 1
OR { 563}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HG3 ))
ASSI { 574}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HA ))
2.700 0.900 0.900 peak 574 spectrum 3 weight 0.10000E+01 volume 0.69791E-02 ppm1 2.872 ppm2 4.856 CV 1
OR { 574}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 33 and name HB ))
ASSI { 576}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 86 and name HB ))
2.600 0.800 0.800 peak 576 spectrum 3 weight 0.10000E+01 volume 0.56066E-02 ppm1 1.782 ppm2 4.316 CV 1
OR { 576}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 82 and name HA ))
ASSI { 586}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 107 and name HA ))
2.500 0.800 0.800 peak 586 spectrum 3 weight 0.10000E+01 volume 0.93421E-02 ppm1 2.603 ppm2 4.465 CV 1
OR { 586}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 90 and name HA ))
ASSI { 588}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HA ))
2.700 0.900 0.900 peak 588 spectrum 3 weight 0.10000E+01 volume 0.51952E-02 ppm1 2.610 ppm2 4.222 CV 1
OR { 588}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 92 and name HA ))
OR { 588}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 92 and name HA ))
ASSI { 592}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 106 and name HD2 ))
2.500 0.800 0.800 peak 592 spectrum 3 weight 0.10000E+01 volume 0.47145E-02 ppm1 2.576 ppm2 2.231 CV 1
OR { 592}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 95 and name HB3 ))
OR { 592}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 596}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HB3 ))
1.800 0.400 0.400 peak 596 spectrum 3 weight 0.10000E+01 volume 0.17950E-01 ppm1 2.451 ppm2 2.227 CV 1
OR { 596}
(( segid " " and resid 94 and name HG3 ))
(( segid " " and resid 94 and name HB3 ))
ASSI { 609}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HB2 ))
1.700 0.400 0.500 peak 609 spectrum 3 weight 0.10000E+01 volume 0.23682E-01 ppm1 3.550 ppm2 3.881 CV 1
OR { 609}
(( segid " " and resid 98 and name HB ))
(( segid " " and resid 98 and name HA ))
ASSI { 619}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 40 and name HD1 ))
2.400 0.700 0.700 peak 619 spectrum 3 weight 0.10000E+01 volume 0.82931E-02 ppm1 3.611 ppm2 6.848 CV 1
OR { 619}
(( segid " " and resid 99 and name HB2 ))
( segid " " and resid 99 and name HE% )
ASSI { 624}
( segid " " and resid 99 and name HD% )
( segid " " and resid 57 and name HD2%)
2.100 2.100 3.900 peak 624 spectrum 3 weight 0.10000E+01 volume 0.54630E-02 ppm1 7.062 ppm2 -0.073 CV 1
OR { 624}
( segid " " and resid 99 and name HD% )
(( segid " " and resid 101 and name HG13))
ASSI { 630}
( segid " " and resid 99 and name HE% )
( segid " " and resid 98 and name HG2%)
2.800 2.800 3.200 peak 630 spectrum 3 weight 0.10000E+01 volume 0.35107E-02 ppm1 6.849 ppm2 0.897 CV 1
OR { 630}
( segid " " and resid 32 and name HD% )
( segid " " and resid 104 and name HD1%)
OR { 630}
( segid " " and resid 31 and name HD% )
( segid " " and resid 104 and name HD1%)
OR { 630}
(( segid " " and resid 52 and name HD2 ))
( segid " " and resid 104 and name HD1%)
OR { 630}
( segid " " and resid 32 and name HD% )
( segid " " and resid 34 and name HD1%)
ASSI { 633}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HA ))
2.900 1.000 1.000 peak 633 spectrum 3 weight 0.10000E+01 volume 0.43832E-02 ppm1 6.842 ppm2 3.876 CV 1
OR { 633}
( segid " " and resid 99 and name HE% )
(( segid " " and resid 96 and name HA ))
ASSI { 640}
( segid " " and resid 75 and name HB% )
( segid " " and resid 46 and name HG2%)
2.000 0.500 0.500 peak 640 spectrum 3 weight 0.10000E+01 volume 0.22739E-01 ppm1 1.417 ppm2 0.803 CV 1
OR { 640}
(( segid " " and resid 100 and name HB ))
( segid " " and resid 100 and name HD1%)
ASSI { 645}
( segid " " and resid 100 and name HD1%)
( segid " " and resid 100 and name HG2%)
1.900 1.900 4.100 peak 645 spectrum 3 weight 0.10000E+01 volume 0.23089E-01 ppm1 0.799 ppm2 0.730 CV 1
OR { 645}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 48 and name HB3 ))
ASSI { 679}
(( segid " " and resid 103 and name HB3 ))
( segid " " and resid 31 and name HE% )
2.500 0.800 0.800 peak 679 spectrum 3 weight 0.10000E+01 volume 0.53568E-02 ppm1 1.720 ppm2 6.585 CV 1
OR { 679}
(( segid " " and resid 109 and name HB2 ))
( segid " " and resid 31 and name HE% )
ASSI { 680}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HA ))
2.400 0.700 0.700 peak 680 spectrum 3 weight 0.10000E+01 volume 0.79045E-02 ppm1 1.681 ppm2 4.568 CV 1
OR { 680}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 59 and name HA ))
OR { 680}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 59 and name HA ))
ASSI { 682}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD1%)
2.200 0.600 0.600 peak 682 spectrum 3 weight 0.10000E+01 volume 0.10856E-01 ppm1 1.675 ppm2 0.889 CV 1
OR { 682}
(( segid " " and resid 112 and name HG ))
( segid " " and resid 112 and name HD2%)
OR { 682}
(( segid " " and resid 119 and name HG ))
( segid " " and resid 119 and name HD2%)
OR { 682}
(( segid " " and resid 112 and name HB3 ))
( segid " " and resid 112 and name HD2%)
OR { 682}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD1%)
OR { 682}
(( segid " " and resid 112 and name HB2 ))
( segid " " and resid 112 and name HD2%)
OR { 682}
(( segid " " and resid 119 and name HB2 ))
( segid " " and resid 119 and name HD2%)
ASSI { 683}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 37 and name HD1%)
2.100 2.100 3.900 peak 683 spectrum 3 weight 0.10000E+01 volume 0.16604E-01 ppm1 1.040 ppm2 0.726 CV 1
OR { 683}
( segid " " and resid 104 and name HD2%)
( segid " " and resid 49 and name HD1%)
OR { 683}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 37 and name HG2%)
ASSI { 688}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 33 and name HA ))
2.400 0.700 0.700 peak 688 spectrum 3 weight 0.10000E+01 volume 0.45130E-02 ppm1 2.865 ppm2 4.576 CV 1
OR { 688}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 104 and name HA ))
ASSI { 693}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HG2 ))
2.100 0.600 0.600 peak 693 spectrum 3 weight 0.10000E+01 volume 0.18226E-01 ppm1 1.739 ppm2 1.540 CV 1
OR { 693}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HG3 ))
OR { 693}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HG3 ))
OR { 693}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HG2 ))
OR { 693}
(( segid " " and resid 106 and name HB3 ))
(( segid " " and resid 106 and name HG2 ))
ASSI { 697}
(( segid " " and resid 106 and name HG2 ))
(( segid " " and resid 106 and name HG3 ))
1.800 0.400 0.400 peak 697 spectrum 3 weight 0.10000E+01 volume 0.17246E-01 ppm1 1.552 ppm2 1.380 CV 1
OR { 697}
(( segid " " and resid 106 and name HD3 ))
(( segid " " and resid 106 and name HG3 ))
OR { 697}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HB3 ))
ASSI { 701}
(( segid " " and resid 106 and name HG3 ))
(( segid " " and resid 106 and name HD2 ))
2.700 0.900 0.900 peak 701 spectrum 3 weight 0.10000E+01 volume 0.73101E-02 ppm1 1.397 ppm2 2.252 CV 1
OR { 701}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 41 and name HB2 ))
ASSI { 703}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 108 and name HB2 ))
2.500 0.800 0.800 peak 703 spectrum 3 weight 0.10000E+01 volume 0.69259E-02 ppm1 4.870 ppm2 2.861 CV 1
OR { 703}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HB3 ))
ASSI { 704}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 106 and name HB3 ))
2.700 0.900 0.900 peak 704 spectrum 3 weight 0.10000E+01 volume 0.58111E-02 ppm1 1.118 ppm2 1.731 CV 1
OR { 704}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 106 and name HB3 ))
OR { 704}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 106 and name HB3 ))
OR { 704}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 114 and name HB3 ))
OR { 704}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 114 and name HB3 ))
OR { 704}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 114 and name HD2 ))
OR { 704}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 114 and name HB3 ))
ASSI { 708}
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 115 and name HB3 ))
2.200 0.600 0.600 peak 708 spectrum 3 weight 0.10000E+01 volume 0.59899E-02 ppm1 2.393 ppm2 1.945 CV 1
OR { 708}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 73 and name HB3 ))
ASSI { 709}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HA ))
2.700 0.900 0.900 peak 709 spectrum 3 weight 0.10000E+01 volume 0.65245E-02 ppm1 2.404 ppm2 4.462 CV 1
OR { 709}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 110 and name HA ))
ASSI { 710}
(( segid " " and resid 115 and name HB3 ))
(( segid " " and resid 115 and name HB2 ))
2.200 0.600 0.600 peak 710 spectrum 3 weight 0.10000E+01 volume 0.62863E-02 ppm1 1.951 ppm2 2.402 CV 1
OR { 710}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HG2 ))
OR { 710}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HG2 ))
ASSI { 712}
(( segid " " and resid 115 and name HD3 ))
(( segid " " and resid 115 and name HD2 ))
1.900 0.400 0.400 peak 712 spectrum 3 weight 0.10000E+01 volume 0.15405E-01 ppm1 3.645 ppm2 3.864 CV 1
OR { 712}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HA ))
ASSI { 714}
(( segid " " and resid 115 and name HD3 ))
(( segid " " and resid 115 and name HD2 ))
1.900 0.400 0.400 peak 714 spectrum 3 weight 0.10000E+01 volume 0.11011E-01 ppm1 3.682 ppm2 3.830 CV 1
OR { 714}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 116 and name HD2 ))
ASSI { 25}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 56 and name HN ))
3.500 1.600 1.600 peak 25 spectrum 4 weight 0.10000E+01 volume 0.12160E-02 ppm1 -0.103 ppm2 8.126 CV 1
OR { 25}
(( segid " " and resid 101 and name HG13))
(( segid " " and resid 56 and name HN ))
ASSI { 40}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 83 and name HN ))
4.100 2.100 1.900 peak 40 spectrum 4 weight 0.10000E+01 volume 0.63875E-03 ppm1 0.161 ppm2 7.974 CV 1
OR { 40}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 83 and name HN ))
ASSI { 66}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 79 and name HN ))
3.900 1.900 1.900 peak 66 spectrum 4 weight 0.10000E+01 volume 0.12475E-02 ppm1 0.688 ppm2 8.307 CV 1
OR { 66}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 79 and name HN ))
OR { 66}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 79 and name HN ))
ASSI { 68}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 80 and name HN ))
4.400 2.400 1.600 peak 68 spectrum 4 weight 0.10000E+01 volume 0.57545E-03 ppm1 0.700 ppm2 7.837 CV 1
OR { 68}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 80 and name HN ))
OR { 68}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 80 and name HN ))
ASSI { 69}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 49 and name HN ))
3.300 1.300 1.300 peak 69 spectrum 4 weight 0.10000E+01 volume 0.51573E-02 ppm1 0.701 ppm2 7.982 CV 1
OR { 69}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HN ))
ASSI { 71}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 102 and name HN ))
2.400 2.400 3.600 peak 71 spectrum 4 weight 0.10000E+01 volume 0.10577E-01 ppm1 0.706 ppm2 7.295 CV 1
OR { 71}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 102 and name HN ))
ASSI { 76}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 77 and name HN ))
3.500 1.600 1.600 peak 76 spectrum 4 weight 0.10000E+01 volume 0.20470E-02 ppm1 0.719 ppm2 7.365 CV 1
OR { 76}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 77 and name HN ))
ASSI { 77}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 78 and name HN ))
3.300 1.400 1.400 peak 77 spectrum 4 weight 0.10000E+01 volume 0.22170E-02 ppm1 0.719 ppm2 8.271 CV 1
OR { 77}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 78 and name HN ))
ASSI { 78}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 47 and name HN ))
3.900 1.900 1.900 peak 78 spectrum 4 weight 0.10000E+01 volume 0.11156E-02 ppm1 0.728 ppm2 8.793 CV 1
OR { 78}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 55 and name HN ))
OR { 78}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 55 and name HN ))
OR { 78}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 55 and name HN ))
OR { 78}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 55 and name HN ))
ASSI { 81}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HN ))
3.000 1.100 1.100 peak 81 spectrum 4 weight 0.10000E+01 volume 0.32277E-02 ppm1 0.746 ppm2 8.457 CV 1
OR { 81}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 48 and name HN ))
ASSI { 89}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 99 and name HN ))
2.600 2.600 3.400 peak 89 spectrum 4 weight 0.10000E+01 volume 0.16610E-02 ppm1 0.795 ppm2 7.288 CV 1
OR { 89}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 99 and name HN ))
ASSI { 90}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 75 and name HN ))
3.400 1.500 1.500 peak 90 spectrum 4 weight 0.10000E+01 volume 0.33357E-02 ppm1 0.822 ppm2 6.875 CV 1
OR { 90}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 75 and name HN ))
ASSI { 91}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 97 and name HN ))
2.500 2.500 3.500 peak 91 spectrum 4 weight 0.10000E+01 volume 0.15714E-02 ppm1 0.840 ppm2 7.191 CV 1
OR { 91}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 97 and name HN ))
ASSI { 98}
( segid " " and resid 120 and name HG2%)
(( segid " " and resid 120 and name HN ))
3.700 1.700 1.700 peak 98 spectrum 4 weight 0.10000E+01 volume 0.13443E-02 ppm1 0.901 ppm2 8.123 CV 1
OR { 98}
( segid " " and resid 120 and name HD1%)
(( segid " " and resid 120 and name HN ))
OR { 98}
( segid " " and resid 119 and name HD2%)
(( segid " " and resid 120 and name HN ))
ASSI { 103}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 97 and name HN ))
2.500 2.500 3.500 peak 103 spectrum 4 weight 0.10000E+01 volume 0.19144E-02 ppm1 0.908 ppm2 7.211 CV 1
OR { 103}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 109 and name HN ))
OR { 103}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 109 and name HN ))
ASSI { 104}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 34 and name HN ))
3.200 1.300 1.300 peak 104 spectrum 4 weight 0.10000E+01 volume 0.27072E-02 ppm1 0.924 ppm2 9.700 CV 1
OR { 104}
( segid " " and resid 104 and name HD2%)
(( segid " " and resid 34 and name HN ))
OR { 104}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HN ))
ASSI { 118}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 32 and name HN ))
4.000 2.000 2.000 peak 118 spectrum 4 weight 0.10000E+01 volume 0.87798E-03 ppm1 1.004 ppm2 8.604 CV 1
OR { 118}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 32 and name HN ))
ASSI { 119}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 105 and name HN ))
3.000 3.000 3.000 peak 119 spectrum 4 weight 0.10000E+01 volume 0.38950E-02 ppm1 1.004 ppm2 9.083 CV 1
OR { 119}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 105 and name HN ))
ASSI { 141}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HN ))
2.800 1.000 1.000 peak 141 spectrum 4 weight 0.10000E+01 volume 0.18497E-02 ppm1 1.267 ppm2 8.361 CV 1
OR { 141}
(( segid " " and resid 49 and name HG12))
(( segid " " and resid 50 and name HN ))
ASSI { 146}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 52 and name HN ))
4.500 2.600 1.500 peak 146 spectrum 4 weight 0.10000E+01 volume 0.46447E-03 ppm1 1.286 ppm2 8.476 CV 1
OR { 146}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 52 and name HN ))
OR { 146}
(( segid " " and resid 49 and name HG12))
(( segid " " and resid 52 and name HN ))
ASSI { 166}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 41 and name HN ))
3.800 1.800 1.800 peak 166 spectrum 4 weight 0.10000E+01 volume 0.12211E-02 ppm1 1.386 ppm2 7.394 CV 1
OR { 166}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 41 and name HN ))
OR { 166}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 41 and name HN ))
ASSI { 168}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 74 and name HN ))
3.500 1.500 1.500 peak 168 spectrum 4 weight 0.10000E+01 volume 0.31654E-02 ppm1 1.396 ppm2 6.623 CV 1
OR { 168}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HN ))
ASSI { 172}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 73 and name HN ))
3.000 3.000 3.000 peak 172 spectrum 4 weight 0.10000E+01 volume 0.16563E-02 ppm1 1.430 ppm2 8.113 CV 1
OR { 172}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 73 and name HN ))
ASSI { 176}
(( segid " " and resid 120 and name HG12))
(( segid " " and resid 120 and name HN ))
3.200 1.300 1.300 peak 176 spectrum 4 weight 0.10000E+01 volume 0.24527E-02 ppm1 1.474 ppm2 8.119 CV 1
OR { 176}
(( segid " " and resid 114 and name HG2 ))
(( segid " " and resid 114 and name HN ))
OR { 176}
(( segid " " and resid 114 and name HG3 ))
(( segid " " and resid 114 and name HN ))
ASSI { 179}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HN ))
2.700 0.900 0.900 peak 179 spectrum 4 weight 0.10000E+01 volume 0.52002E-02 ppm1 1.509 ppm2 8.237 CV 1
OR { 179}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HN ))
OR { 179}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 91 and name HN ))
ASSI { 195}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.400 0.700 0.700 peak 195 spectrum 4 weight 0.10000E+01 volume 0.87882E-02 ppm1 1.564 ppm2 7.986 CV 1
OR { 195}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
OR { 195}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 30 and name HN ))
ASSI { 202}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 32 and name HN ))
4.200 2.200 1.800 peak 202 spectrum 4 weight 0.10000E+01 volume 0.61879E-03 ppm1 1.588 ppm2 8.597 CV 1
OR { 202}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 32 and name HN ))
OR { 202}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 32 and name HN ))
OR { 202}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 32 and name HN ))
OR { 202}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 32 and name HN ))
ASSI { 205}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 91 and name HN ))
3.000 1.100 1.100 peak 205 spectrum 4 weight 0.10000E+01 volume 0.43069E-02 ppm1 1.595 ppm2 8.237 CV 1
OR { 205}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 53 and name HN ))
OR { 205}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HN ))
ASSI { 219}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 52 and name HN ))
2.900 2.900 3.100 peak 219 spectrum 4 weight 0.10000E+01 volume 0.61297E-03 ppm1 1.650 ppm2 8.479 CV 1
OR { 219}
(( segid " " and resid 104 and name HG ))
(( segid " " and resid 52 and name HN ))
OR { 219}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 52 and name HN ))
OR { 219}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 52 and name HN ))
OR { 219}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 52 and name HN ))
ASSI { 225}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 60 and name HN ))
3.600 1.700 1.700 peak 225 spectrum 4 weight 0.10000E+01 volume 0.16746E-02 ppm1 1.672 ppm2 8.079 CV 1
OR { 225}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 60 and name HN ))
ASSI { 227}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HN ))
2.400 0.700 0.700 peak 227 spectrum 4 weight 0.10000E+01 volume 0.62041E-02 ppm1 1.680 ppm2 8.728 CV 1
OR { 227}
(( segid " " and resid 103 and name HB3 ))
(( segid " " and resid 104 and name HN ))
ASSI { 240}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 83 and name HN ))
2.900 1.100 1.100 peak 240 spectrum 4 weight 0.10000E+01 volume 0.27006E-02 ppm1 1.757 ppm2 7.974 CV 1
OR { 240}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 113 and name HN ))
ASSI { 243}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 85 and name HN ))
4.300 2.300 1.700 peak 243 spectrum 4 weight 0.10000E+01 volume 0.75168E-03 ppm1 1.780 ppm2 8.931 CV 1
OR { 243}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 85 and name HN ))
ASSI { 244}
(( segid " " and resid 101 and name HB ))
(( segid " " and resid 101 and name HN ))
3.100 1.200 1.200 peak 244 spectrum 4 weight 0.10000E+01 volume 0.42294E-02 ppm1 1.784 ppm2 8.540 CV 1
OR { 244}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 81 and name HN ))
ASSI { 246}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 82 and name HN ))
2.400 0.700 0.700 peak 246 spectrum 4 weight 0.10000E+01 volume 0.83012E-02 ppm1 1.803 ppm2 7.654 CV 1
OR { 246}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 82 and name HN ))
ASSI { 249}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 86 and name HN ))
2.800 1.000 1.000 peak 249 spectrum 4 weight 0.10000E+01 volume 0.42272E-02 ppm1 1.814 ppm2 8.091 CV 1
OR { 249}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 38 and name HN ))
ASSI { 250}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HN ))
3.500 1.500 1.500 peak 250 spectrum 4 weight 0.10000E+01 volume 0.18716E-02 ppm1 1.823 ppm2 8.786 CV 1
OR { 250}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 47 and name HN ))
ASSI { 260}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 48 and name HN ))
4.500 2.600 1.500 peak 260 spectrum 4 weight 0.10000E+01 volume 0.97316E-03 ppm1 1.851 ppm2 8.456 CV 1
OR { 260}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 48 and name HN ))
ASSI { 264}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 99 and name HN ))
3.800 1.800 1.800 peak 264 spectrum 4 weight 0.10000E+01 volume 0.11619E-02 ppm1 1.869 ppm2 7.286 CV 1
OR { 264}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 99 and name HN ))
OR { 264}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 99 and name HN ))
ASSI { 281}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
2.800 1.000 1.000 peak 281 spectrum 4 weight 0.10000E+01 volume 0.64267E-02 ppm1 1.955 ppm2 8.091 CV 1
OR { 281}
(( segid " " and resid 117 and name HB3 ))
(( segid " " and resid 118 and name HN ))
OR { 281}
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 118 and name HN ))
ASSI { 284}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 75 and name HN ))
3.800 1.800 1.800 peak 284 spectrum 4 weight 0.10000E+01 volume 0.24216E-02 ppm1 1.960 ppm2 6.875 CV 1
OR { 284}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 75 and name HN ))
OR { 284}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 75 and name HN ))
OR { 284}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 75 and name HN ))
ASSI { 285}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HN ))
2.100 0.500 0.500 peak 285 spectrum 4 weight 0.10000E+01 volume 0.20495E-01 ppm1 1.961 ppm2 8.114 CV 1
OR { 285}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HN ))
OR { 285}
(( segid " " and resid 123 and name HB ))
(( segid " " and resid 123 and name HN ))
ASSI { 289}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 74 and name HN ))
2.700 0.900 0.900 peak 289 spectrum 4 weight 0.10000E+01 volume 0.56240E-02 ppm1 1.969 ppm2 6.622 CV 1
OR { 289}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HN ))
OR { 289}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 74 and name HN ))
ASSI { 298}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 69 and name HN ))
2.600 2.600 3.400 peak 298 spectrum 4 weight 0.10000E+01 volume 0.91419E-03 ppm1 1.982 ppm2 9.523 CV 1
OR { 298}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 69 and name HN ))
! OR { 298}
! (( segid " " and resid 73 and name HB2 ))
! (( segid " " and resid 69 and name HN ))
OR { 298}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 69 and name HN ))
ASSI { 313}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 54 and name HN ))
3.800 1.800 1.800 peak 313 spectrum 4 weight 0.10000E+01 volume 0.21845E-02 ppm1 2.125 ppm2 8.241 CV 1
OR { 313}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 54 and name HN ))
OR { 313}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 54 and name HN ))
ASSI { 328}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 82 and name HN ))
2.900 1.100 1.100 peak 328 spectrum 4 weight 0.10000E+01 volume 0.38841E-02 ppm1 2.196 ppm2 7.654 CV 1
OR { 328}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 82 and name HN ))
ASSI { 329}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 80 and name HN ))
4.400 2.400 1.600 peak 329 spectrum 4 weight 0.10000E+01 volume 0.46584E-03 ppm1 2.219 ppm2 7.831 CV 1
OR { 329}
(( segid " " and resid 81 and name HG3 ))
(( segid " " and resid 80 and name HN ))
OR { 329}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 80 and name HN ))
ASSI { 333}
(( segid " " and resid 95 and name HB3 ))
(( segid " " and resid 95 and name HN ))
2.100 0.600 0.600 peak 333 spectrum 4 weight 0.10000E+01 volume 0.11598E-01 ppm1 2.222 ppm2 8.475 CV 1
OR { 333}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 95 and name HN ))
ASSI { 335}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 42 and name HN ))
4.200 2.200 1.800 peak 335 spectrum 4 weight 0.10000E+01 volume 0.85117E-03 ppm1 2.225 ppm2 7.491 CV 1
OR { 335}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 42 and name HN ))
ASSI { 341}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
3.300 1.300 1.300 peak 341 spectrum 4 weight 0.10000E+01 volume 0.28186E-02 ppm1 2.235 ppm2 7.397 CV 1
OR { 341}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
ASSI { 342}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 47 and name HN ))
3.500 1.600 1.600 peak 342 spectrum 4 weight 0.10000E+01 volume 0.14604E-02 ppm1 2.250 ppm2 8.787 CV 1
OR { 342}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 47 and name HN ))
! ASSI { 349}
! (( segid " " and resid 36 and name HB2 ))
! (( segid " " and resid 105 and name HN ))
! 4.200 2.200 1.800 peak 349 spectrum 4 weight 0.10000E+01 volume 0.80471E-03 ppm1 2.267 ppm2 9.083 CV 1
! OR { 349}
! (( segid " " and resid 35 and name HG3 ))
! (( segid " " and resid 105 and name HN ))
! OR { 349}
! (( segid " " and resid 35 and name HG2 ))
! (( segid " " and resid 105 and name HN ))
! OR { 349}
! (( segid " " and resid 36 and name HB3 ))
! (( segid " " and resid 105 and name HN ))
ASSI { 362}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HN ))
2.200 0.600 0.600 peak 362 spectrum 4 weight 0.10000E+01 volume 0.19835E-01 ppm1 2.383 ppm2 8.504 CV 1
OR { 362}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HN ))
OR { 362}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 62 and name HN ))
ASSI { 365}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HN ))
2.300 0.600 0.600 peak 365 spectrum 4 weight 0.10000E+01 volume 0.18589E-01 ppm1 2.408 ppm2 8.504 CV 1
OR { 365}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HN ))
OR { 365}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 62 and name HN ))
OR { 365}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 62 and name HN ))
ASSI { 367}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HN ))
2.400 0.700 0.700 peak 367 spectrum 4 weight 0.10000E+01 volume 0.86670E-02 ppm1 2.427 ppm2 8.249 CV 1
OR { 367}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 63 and name HN ))
OR { 367}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 63 and name HN ))
OR { 367}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 63 and name HN ))
ASSI { 371}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HN ))
3.200 1.300 1.300 peak 371 spectrum 4 weight 0.10000E+01 volume 0.31909E-02 ppm1 2.449 ppm2 8.861 CV 1
OR { 371}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 64 and name HN ))
ASSI { 374}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HN ))
3.000 1.100 1.100 peak 374 spectrum 4 weight 0.10000E+01 volume 0.54428E-02 ppm1 2.490 ppm2 8.092 CV 1
OR { 374}
( segid " " and resid 86 and name HG1%)
(( segid " " and resid 86 and name HN ))
OR { 374}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HN ))
ASSI { 377}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 70 and name HN ))
2.900 1.000 1.000 peak 377 spectrum 4 weight 0.10000E+01 volume 0.37486E-02 ppm1 2.506 ppm2 9.216 CV 1
OR { 377}
(( segid " " and resid 71 and name HG ))
(( segid " " and resid 70 and name HN ))
OR { 377}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 70 and name HN ))
ASSI { 384}
(( segid " " and resid 94 and name HG3 ))
(( segid " " and resid 97 and name HN ))
4.000 2.000 2.000 peak 384 spectrum 4 weight 0.10000E+01 volume 0.12474E-02 ppm1 2.531 ppm2 7.192 CV 1
OR { 384}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 97 and name HN ))
OR { 384}
( segid " " and resid 92 and name HB% )
(( segid " " and resid 97 and name HN ))
OR { 384}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 97 and name HN ))
OR { 384}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 97 and name HN ))
ASSI { 386}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 94 and name HN ))
2.300 0.700 0.700 peak 386 spectrum 4 weight 0.10000E+01 volume 0.12519E-01 ppm1 2.538 ppm2 9.033 CV 1
OR { 386}
(( segid " " and resid 94 and name HG3 ))
(( segid " " and resid 94 and name HN ))
OR { 386}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 94 and name HN ))
OR { 386}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 94 and name HN ))
ASSI { 388}
( segid " " and resid 92 and name HB% )
(( segid " " and resid 92 and name HN ))
2.600 0.900 0.900 peak 388 spectrum 4 weight 0.10000E+01 volume 0.48490E-02 ppm1 2.542 ppm2 8.824 CV 1
OR { 388}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 92 and name HN ))
ASSI { 393}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HN ))
2.700 0.900 0.900 peak 393 spectrum 4 weight 0.10000E+01 volume 0.62346E-02 ppm1 2.566 ppm2 9.145 CV 1
OR { 393}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HN ))
OR { 393}
( segid " " and resid 92 and name HB% )
(( segid " " and resid 93 and name HN ))
OR { 393}
(( segid " " and resid 94 and name HG3 ))
(( segid " " and resid 93 and name HN ))
OR { 393}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 93 and name HN ))
ASSI { 395}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 91 and name HN ))
2.500 0.800 0.800 peak 395 spectrum 4 weight 0.10000E+01 volume 0.97659E-02 ppm1 2.569 ppm2 8.246 CV 1
OR { 395}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 91 and name HN ))
OR { 395}
( segid " " and resid 92 and name HB% )
(( segid " " and resid 91 and name HN ))
ASSI { 402}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 63 and name HN ))
2.700 0.900 0.900 peak 402 spectrum 4 weight 0.10000E+01 volume 0.51597E-02 ppm1 2.605 ppm2 8.251 CV 1
OR { 402}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 63 and name HN ))
OR { 402}
(( segid " " and resid 63 and name HG3 ))
(( segid " " and resid 63 and name HN ))
ASSI { 404}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 107 and name HN ))
2.500 0.800 0.800 peak 404 spectrum 4 weight 0.10000E+01 volume 0.75445E-02 ppm1 2.608 ppm2 10.914 CV 1
OR { 404}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HN ))
OR { 404}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 107 and name HN ))
ASSI { 408}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 109 and name HN ))
3.500 1.500 1.500 peak 408 spectrum 4 weight 0.10000E+01 volume 0.19184E-02 ppm1 2.626 ppm2 7.213 CV 1
OR { 408}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 109 and name HN ))
OR { 408}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 109 and name HN ))
ASSI { 411}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 108 and name HN ))
2.600 0.800 0.800 peak 411 spectrum 4 weight 0.10000E+01 volume 0.61206E-02 ppm1 2.627 ppm2 8.102 CV 1
OR { 411}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 108 and name HN ))
OR { 411}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 108 and name HN ))
! ASSI { 443}
! (( segid " " and resid 80 and name HB ))
! (( segid " " and resid 82 and name HD22))
! 3.100 3.100 2.900 peak 443 spectrum 4 weight 0.10000E+01 volume 0.45037E-03 ppm1 2.858 ppm2 7.415 CV 1
! OR { 443}
! (( segid " " and resid 83 and name HB2 ))
! (( segid " " and resid 82 and name HD22))
ASSI { 444}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HN ))
2.600 0.800 0.800 peak 444 spectrum 4 weight 0.10000E+01 volume 0.57271E-02 ppm1 2.864 ppm2 7.973 CV 1
OR { 444}
(( segid " " and resid 113 and name HB2 ))
(( segid " " and resid 113 and name HN ))
ASSI { 450}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 81 and name HN ))
3.500 1.600 1.600 peak 450 spectrum 4 weight 0.10000E+01 volume 0.23446E-02 ppm1 2.885 ppm2 8.522 CV 1
OR { 450}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 101 and name HN ))
ASSI { 459}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 40 and name HN ))
3.500 1.600 1.600 peak 459 spectrum 4 weight 0.10000E+01 volume 0.10504E-02 ppm1 2.951 ppm2 7.755 CV 1
OR { 459}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 40 and name HN ))
ASSI { 462}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HN ))
3.300 1.300 1.300 peak 462 spectrum 4 weight 0.10000E+01 volume 0.17901E-02 ppm1 2.952 ppm2 7.492 CV 1
OR { 462}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 42 and name HN ))
ASSI { 467}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 76 and name HN ))
4.100 2.100 1.900 peak 467 spectrum 4 weight 0.10000E+01 volume 0.59279E-03 ppm1 2.959 ppm2 9.324 CV 1
OR { 467}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 76 and name HN ))
ASSI { 478}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 53 and name HN ))
3.300 1.300 1.300 peak 478 spectrum 4 weight 0.10000E+01 volume 0.19549E-02 ppm1 3.100 ppm2 8.236 CV 1
OR { 478}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 53 and name HN ))
OR { 478}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 53 and name HN ))
ASSI { 481}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HN ))
3.100 1.200 1.200 peak 481 spectrum 4 weight 0.10000E+01 volume 0.31551E-02 ppm1 3.111 ppm2 8.474 CV 1
OR { 481}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 52 and name HN ))
OR { 481}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 52 and name HN ))
ASSI { 488}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 104 and name HN ))
3.800 1.800 1.800 peak 488 spectrum 4 weight 0.10000E+01 volume 0.75508E-03 ppm1 3.129 ppm2 8.728 CV 1
OR { 488}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 104 and name HN ))
ASSI { 490}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
3.200 1.300 1.300 peak 490 spectrum 4 weight 0.10000E+01 volume 0.18821E-02 ppm1 3.263 ppm2 7.031 CV 1
OR { 490}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 45 and name HN ))
ASSI { 491}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 41 and name HN ))
4.300 2.300 1.700 peak 491 spectrum 4 weight 0.10000E+01 volume 0.67412E-03 ppm1 3.281 ppm2 7.396 CV 1
OR { 491}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 41 and name HN ))
ASSI { 505}
(( segid " " and resid 98 and name HB ))
(( segid " " and resid 98 and name HN ))
2.700 0.900 0.900 peak 505 spectrum 4 weight 0.10000E+01 volume 0.48453E-02 ppm1 3.538 ppm2 7.420 CV 1
OR { 505}
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 98 and name HN ))
ASSI { 507}
(( segid " " and resid 77 and name HA2 ))
(( segid " " and resid 77 and name HN ))
2.500 0.800 0.800 peak 507 spectrum 4 weight 0.10000E+01 volume 0.66615E-02 ppm1 3.545 ppm2 7.365 CV 1
OR { 507}
(( segid " " and resid 76 and name HA2 ))
(( segid " " and resid 77 and name HN ))
ASSI { 508}
(( segid " " and resid 76 and name HA2 ))
(( segid " " and resid 76 and name HN ))
2.800 1.000 1.000 peak 508 spectrum 4 weight 0.10000E+01 volume 0.46391E-02 ppm1 3.551 ppm2 9.324 CV 1
OR { 508}
(( segid " " and resid 77 and name HA2 ))
(( segid " " and resid 76 and name HN ))
ASSI { 517}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 57 and name HN ))
3.900 1.900 1.900 peak 517 spectrum 4 weight 0.10000E+01 volume 0.88701E-03 ppm1 3.652 ppm2 8.330 CV 1
OR { 517}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 57 and name HN ))
ASSI { 530}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HN ))
2.400 0.700 0.700 peak 530 spectrum 4 weight 0.10000E+01 volume 0.87187E-02 ppm1 3.804 ppm2 8.475 CV 1
OR { 530}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
ASSI { 540}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HN ))
2.300 0.700 0.700 peak 540 spectrum 4 weight 0.10000E+01 volume 0.11218E-01 ppm1 3.880 ppm2 8.521 CV 1
OR { 540}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 81 and name HN ))
ASSI { 542}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.400 0.700 0.700 peak 542 spectrum 4 weight 0.10000E+01 volume 0.78665E-02 ppm1 3.902 ppm2 8.364 CV 1
OR { 542}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
ASSI { 545}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 38 and name HN ))
3.000 1.100 1.100 peak 545 spectrum 4 weight 0.10000E+01 volume 0.28957E-02 ppm1 3.925 ppm2 8.091 CV 1
OR { 545}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 38 and name HN ))
ASSI { 550}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.800 0.900 0.900 peak 550 spectrum 4 weight 0.10000E+01 volume 0.40064E-02 ppm1 3.975 ppm2 7.754 CV 1
OR { 550}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
ASSI { 571}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HN ))
2.400 0.700 0.700 peak 571 spectrum 4 weight 0.10000E+01 volume 0.85578E-02 ppm1 4.158 ppm2 8.475 CV 1
OR { 571}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 95 and name HN ))
ASSI { 572}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 93 and name HN ))
3.300 1.400 1.400 peak 572 spectrum 4 weight 0.10000E+01 volume 0.12621E-02 ppm1 4.161 ppm2 9.143 CV 1
OR { 572}
(( segid " " and resid 93 and name HD2 ))
(( segid " " and resid 93 and name HN ))
ASSI { 575}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.300 0.700 0.700 peak 575 spectrum 4 weight 0.10000E+01 volume 0.11093E-01 ppm1 4.194 ppm2 8.109 CV 1
OR { 575}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
ASSI { 580}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 91 and name HN ))
3.800 1.800 1.800 peak 580 spectrum 4 weight 0.10000E+01 volume 0.24635E-02 ppm1 4.238 ppm2 8.246 CV 1
OR { 580}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 91 and name HN ))
ASSI { 591}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
2.900 1.100 1.100 peak 591 spectrum 4 weight 0.10000E+01 volume 0.38644E-02 ppm1 4.276 ppm2 8.640 CV 1
OR { 591}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 58 and name HN ))
ASSI { 595}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
2.500 0.800 0.800 peak 595 spectrum 4 weight 0.10000E+01 volume 0.65478E-02 ppm1 4.304 ppm2 8.095 CV 1
OR { 595}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 86 and name HN ))
OR { 595}
(( segid " " and resid 118 and name HB ))
(( segid " " and resid 118 and name HN ))
ASSI { 601}
(( segid " " and resid 120 and name HA ))
(( segid " " and resid 120 and name HN ))
2.600 0.800 0.800 peak 601 spectrum 4 weight 0.10000E+01 volume 0.61182E-02 ppm1 4.314 ppm2 8.121 CV 1
OR { 601}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 120 and name HN ))
ASSI { 603}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 119 and name HN ))
2.700 0.900 0.900 peak 603 spectrum 4 weight 0.10000E+01 volume 0.45432E-02 ppm1 4.348 ppm2 8.183 CV 1
OR { 603}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HN ))
ASSI { 604}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 118 and name HN ))
2.400 0.700 0.700 peak 604 spectrum 4 weight 0.10000E+01 volume 0.75212E-02 ppm1 4.353 ppm2 8.106 CV 1
OR { 604}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HN ))
OR { 604}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
ASSI { 613}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 118 and name HN ))
2.800 1.000 1.000 peak 613 spectrum 4 weight 0.10000E+01 volume 0.38922E-02 ppm1 4.397 ppm2 8.096 CV 1
OR { 613}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HN ))
OR { 613}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 118 and name HN ))
ASSI { 615}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 80 and name HN ))
2.800 1.000 1.000 peak 615 spectrum 4 weight 0.10000E+01 volume 0.31975E-02 ppm1 4.407 ppm2 7.836 CV 1
OR { 615}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 80 and name HN ))
ASSI { 618}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HN ))
2.900 1.100 1.100 peak 618 spectrum 4 weight 0.10000E+01 volume 0.26752E-02 ppm1 4.417 ppm2 8.308 CV 1
OR { 618}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 79 and name HN ))
ASSI { 619}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 81 and name HN ))
3.000 1.100 1.100 peak 619 spectrum 4 weight 0.10000E+01 volume 0.26797E-02 ppm1 4.418 ppm2 8.532 CV 1
OR { 619}
(( segid " " and resid 102 and name HA1 ))
(( segid " " and resid 101 and name HN ))
ASSI { 621}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 111 and name HN ))
3.200 1.300 1.300 peak 621 spectrum 4 weight 0.10000E+01 volume 0.19294E-02 ppm1 4.441 ppm2 7.544 CV 1
OR { 621}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 111 and name HN ))
ASSI { 622}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 90 and name HN ))
2.900 1.000 1.000 peak 622 spectrum 4 weight 0.10000E+01 volume 0.36583E-02 ppm1 4.483 ppm2 9.251 CV 1
OR { 622}
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 90 and name HN ))
ASSI { 623}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HN ))
2.300 0.700 0.700 peak 623 spectrum 4 weight 0.10000E+01 volume 0.12603E-01 ppm1 4.494 ppm2 8.246 CV 1
OR { 623}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 91 and name HN ))
ASSI { 624}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 94 and name HN ))
2.700 0.900 0.900 peak 624 spectrum 4 weight 0.10000E+01 volume 0.47462E-02 ppm1 4.495 ppm2 9.032 CV 1
OR { 624}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 94 and name HN ))
ASSI { 625}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HN ))
2.800 1.000 1.000 peak 625 spectrum 4 weight 0.10000E+01 volume 0.31467E-02 ppm1 4.514 ppm2 9.144 CV 1
OR { 625}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 93 and name HN ))
ASSI { 627}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 105 and name HN ))
2.400 0.700 0.700 peak 627 spectrum 4 weight 0.10000E+01 volume 0.55325E-02 ppm1 4.545 ppm2 9.083 CV 1
OR { 627}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 105 and name HN ))
ASSI { 640}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
2.900 1.100 1.100 peak 640 spectrum 4 weight 0.10000E+01 volume 0.27094E-02 ppm1 4.839 ppm2 8.861 CV 1
OR { 640}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 64 and name HN ))
ASSI { 641}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HN ))
2.500 0.800 0.800 peak 641 spectrum 4 weight 0.10000E+01 volume 0.67808E-02 ppm1 4.840 ppm2 8.248 CV 1
OR { 641}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
ASSI { 643}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HN ))
2.400 0.700 0.700 peak 643 spectrum 4 weight 0.10000E+01 volume 0.96585E-02 ppm1 4.848 ppm2 8.503 CV 1
OR { 643}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 62 and name HN ))
ASSI { 676}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 54 and name HN ))
4.100 2.100 1.900 peak 676 spectrum 4 weight 0.10000E+01 volume 0.57380E-03 ppm1 6.511 ppm2 8.239 CV 1
OR { 676}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 54 and name HN ))
ASSI { 700}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 700 spectrum 4 weight 0.10000E+01 volume 0.30395E-02 ppm1 6.832 ppm2 8.598 CV 1
OR { 700}
(( segid " " and resid 105 and name HD2 ))
(( segid " " and resid 32 and name HN ))
ASSI { 741}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 64 and name HN ))
4.500 2.500 1.500 peak 741 spectrum 4 weight 0.10000E+01 volume 0.45722E-03 ppm1 7.763 ppm2 8.866 CV 1
OR { 741}
(( segid " " and resid 60 and name HZ ))
(( segid " " and resid 64 and name HN ))
ASSI { 776}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HN ))
2.400 0.700 0.700 peak 776 spectrum 4 weight 0.10000E+01 volume 0.66036E-02 ppm1 8.385 ppm2 8.115 CV 1
OR { 776}
(( segid " " and resid 124 and name HN ))
(( segid " " and resid 123 and name HN ))
ASSI { 777}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 33 and name HN ))
4.200 2.200 1.800 peak 777 spectrum 4 weight 0.10000E+01 volume 0.58731E-03 ppm1 8.395 ppm2 9.094 CV 1
OR { 777}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 33 and name HN ))
ASSI { 778}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
2.200 0.600 0.600 peak 778 spectrum 4 weight 0.10000E+01 volume 0.61720E-02 ppm1 8.397 ppm2 7.590 CV 1
OR { 778}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
ASSI { 793}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 42 and name HN ))
4.200 2.200 1.800 peak 793 spectrum 4 weight 0.10000E+01 volume 0.70018E-03 ppm1 8.801 ppm2 7.487 CV 1
OR { 793}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 42 and name HN ))
ASSI { 802}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HN ))
2.600 0.800 0.800 peak 802 spectrum 4 weight 0.10000E+01 volume 0.53456E-02 ppm1 8.918 ppm2 8.112 CV 1
OR { 802}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HN ))
ASSI { 805}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 805 spectrum 4 weight 0.10000E+01 volume 0.20196E-02 ppm1 9.056 ppm2 8.600 CV 1
OR { 805}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
ASSI { 808}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 34 and name HN ))
4.100 2.100 1.900 peak 808 spectrum 4 weight 0.10000E+01 volume 0.64762E-03 ppm1 9.094 ppm2 9.704 CV 1
OR { 808}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
ASSI { 810}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 91 and name HN ))
3.400 1.500 1.500 peak 810 spectrum 4 weight 0.10000E+01 volume 0.15174E-02 ppm1 9.180 ppm2 8.242 CV 1
OR { 810}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 53 and name HN ))
ASSI { 3}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 74 and name HB2 ))
3.700 1.700 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.33401E-03 ppm1 -3.686 ppm2 1.816 CV 1
ASSI { 4}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 48 and name HG ))
3.400 3.400 2.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.26076E-02 ppm1 -3.661 ppm2 -0.449 CV 1
ASSI { 5}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 79 and name HA ))
4.100 2.100 1.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.54649E-03 ppm1 -3.656 ppm2 4.459 CV 1
ASSI { 6}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 48 and name HB3 ))
4.500 2.600 1.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.25046E-03 ppm1 -3.655 ppm2 0.750 CV 1
ASSI { 7}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 50 and name HG ))
3.400 3.400 2.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 -3.654 ppm2 -1.944 CV 1
ASSI { 9}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 71 and name HA ))
3.800 1.800 1.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.39211E-03 ppm1 -3.654 ppm2 3.163 CV 1
ASSI { 10}
( segid " " and resid 64 and name HMC%)
( segid " " and resid 48 and name HD2%)
2.900 2.900 3.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.49689E-03 ppm1 -3.654 ppm2 0.821 CV 1
ASSI { 11}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 74 and name HB3 ))
4.100 2.100 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.31913E-03 ppm1 -3.653 ppm2 0.914 CV 1
ASSI { 12}
( segid " " and resid 64 and name HMC%)
(( segid " " and resid 74 and name HG3 ))
3.600 3.600 2.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.72207E-03 ppm1 -3.653 ppm2 1.439 CV 1
ASSI { 13}
( segid " " and resid 64 and name HMC%)
( segid " " and resid 48 and name HD1%)
2.600 0.800 0.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.34964E-02 ppm1 -3.653 ppm2 -0.603 CV 1
ASSI { 14}
( segid " " and resid 64 and name HMC%)
( segid " " and resid 79 and name HB% )
2.500 2.500 3.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.51485E-02 ppm1 -3.652 ppm2 0.204 CV 1
ASSI { 21}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HA ))
2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.18126E-02 ppm1 -3.191 ppm2 4.077 CV 1
ASSI { 22}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HG2 ))
3.500 1.600 1.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.86434E-03 ppm1 -3.188 ppm2 1.367 CV 1
ASSI { 23}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HG3 ))
3.200 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.72964E-03 ppm1 -3.187 ppm2 -0.308 CV 1
ASSI { 24}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HB2 ))
2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.50237E-02 ppm1 -3.187 ppm2 0.791 CV 1
ASSI { 25}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 61 and name HA ))
2.600 0.900 0.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.85045E-03 ppm1 -2.448 ppm2 4.784 CV 1
ASSI { 27}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 71 and name HB3 ))
3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.37804E-03 ppm1 -2.417 ppm2 0.800 CV 1
ASSI { 28}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 50 and name HA ))
3.200 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.11689E-02 ppm1 -1.953 ppm2 4.405 CV 1
ASSI { 31}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 50 and name HB2 ))
2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.40917E-02 ppm1 -1.951 ppm2 1.273 CV 1
ASSI { 32}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 50 and name HB3 ))
2.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 -1.951 ppm2 0.206 CV 1
ASSI { 33}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 80 and name HB ))
4.100 2.100 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.49574E-03 ppm1 -1.947 ppm2 2.937 CV 1
ASSI { 34}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 56 and name HB2 ))
3.100 1.200 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 -1.171 ppm2 2.915 CV 1
ASSI { 35}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 101 and name HA ))
4.100 2.100 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.97724E-03 ppm1 -1.170 ppm2 4.567 CV 1
ASSI { 36}
( segid " " and resid 101 and name HD1%)
( segid " " and resid 101 and name HG2%)
2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.51900E-02 ppm1 -1.169 ppm2 0.690 CV 1
ASSI { 38}
( segid " " and resid 101 and name HD1%)
( segid " " and resid 54 and name HG2%)
2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.33494E-02 ppm1 -1.167 ppm2 0.061 CV 1
ASSI { 39}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 101 and name HB ))
2.600 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.32909E-02 ppm1 -1.167 ppm2 1.768 CV 1
ASSI { 42}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 56 and name HB3 ))
2.800 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.21654E-02 ppm1 -1.162 ppm2 1.806 CV 1
ASSI { 43}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 80 and name HA ))
3.900 1.900 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.30955E-03 ppm1 -0.776 ppm2 3.877 CV 1
ASSI { 44}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 83 and name HB3 ))
3.100 1.200 1.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.18632E-02 ppm1 -0.771 ppm2 0.994 CV 1
ASSI { 45}
( segid " " and resid 50 and name HD2%)
( segid " " and resid 80 and name HG2%)
3.700 1.700 1.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 -0.770 ppm2 0.455 CV 1
ASSI { 46}
( segid " " and resid 50 and name HD2%)
( segid " " and resid 50 and name HD1%)
2.100 2.100 3.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11199E-01 ppm1 -0.770 ppm2 -0.046 CV 1
ASSI { 50}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 50 and name HB3 ))
2.700 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.29319E-02 ppm1 -0.769 ppm2 0.206 CV 1
ASSI { 51}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 50 and name HA ))
2.300 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.64482E-02 ppm1 -0.769 ppm2 4.402 CV 1
ASSI { 52}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 83 and name HB2 ))
2.900 2.900 3.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.16192E-02 ppm1 -0.768 ppm2 2.912 CV 1
ASSI { 53}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 79 and name HA ))
3.800 1.800 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.62113E-03 ppm1 -0.768 ppm2 4.464 CV 1
ASSI { 54}
( segid " " and resid 50 and name HD2%)
( segid " " and resid 79 and name HB% )
2.500 2.500 3.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.46360E-02 ppm1 -0.755 ppm2 0.205 CV 1
ASSI { 55}
(( segid " " and resid 64 and name HBA2))
(( segid " " and resid 65 and name HG3 ))
4.200 2.200 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.38925E-03 ppm1 -0.752 ppm2 -0.308 CV 1
ASSI { 56}
(( segid " " and resid 64 and name HBA2))
(( segid " " and resid 65 and name HG2 ))
3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.30567E-03 ppm1 -0.733 ppm2 1.362 CV 1
ASSI { 57}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 79 and name HB% )
2.400 2.400 3.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.49072E-02 ppm1 -0.619 ppm2 0.206 CV 1
ASSI { 58}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 74 and name HB3 ))
3.200 3.200 2.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17456E-02 ppm1 -0.613 ppm2 0.911 CV 1
ASSI { 59}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 48 and name HB3 ))
2.700 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.25991E-02 ppm1 -0.609 ppm2 0.749 CV 1
ASSI { 65}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 75 and name HA ))
3.000 3.000 3.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.20594E-02 ppm1 -0.601 ppm2 3.774 CV 1
ASSI { 68}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 71 and name HB3 ))
3.600 1.600 1.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.44613E-03 ppm1 -0.501 ppm2 0.795 CV 1
ASSI { 69}
(( segid " " and resid 57 and name HG ))
( segid " " and resid 57 and name HD1%)
2.300 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.52071E-02 ppm1 -0.483 ppm2 0.984 CV 1
ASSI { 72}
(( segid " " and resid 57 and name HG ))
( segid " " and resid 57 and name HD2%)
2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.85142E-02 ppm1 -0.481 ppm2 -0.059 CV 1
ASSI { 73}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 57 and name HB3 ))
2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.37221E-02 ppm1 -0.481 ppm2 1.055 CV 1
ASSI { 74}
(( segid " " and resid 57 and name HG ))
( segid " " and resid 46 and name HG2%)
2.800 2.800 3.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.28385E-02 ppm1 -0.479 ppm2 0.817 CV 1
ASSI { 75}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 57 and name HA ))
3.400 1.400 1.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 -0.479 ppm2 4.281 CV 1
ASSI { 77}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 46 and name HB ))
4.200 2.200 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.31119E-03 ppm1 -0.474 ppm2 3.639 CV 1
ASSI { 78}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 55 and name HB3 ))
3.800 1.800 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12966E-02 ppm1 -0.473 ppm2 1.891 CV 1
ASSI { 79}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 55 and name HB2 ))
2.900 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 -0.471 ppm2 2.095 CV 1
ASSI { 80}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 50 and name HG ))
2.800 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.18454E-02 ppm1 -0.465 ppm2 -1.944 CV 1
ASSI { 81}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 49 and name HA ))
3.700 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.36496E-03 ppm1 -0.463 ppm2 4.999 CV 1
ASSI { 83}
(( segid " " and resid 65 and name HG3 ))
(( segid " " and resid 65 and name HG2 ))
2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.49131E-02 ppm1 -0.318 ppm2 1.367 CV 1
ASSI { 84}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 53 and name HB3 ))
4.400 2.400 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.44106E-03 ppm1 -0.242 ppm2 1.372 CV 1
ASSI { 85}
(( segid " " and resid 100 and name HG13))
( segid " " and resid 100 and name HD1%)
2.100 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.80745E-02 ppm1 -0.232 ppm2 0.814 CV 1
ASSI { 87}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 100 and name HB ))
2.800 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16801E-02 ppm1 -0.231 ppm2 1.454 CV 1
ASSI { 88}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 100 and name HA ))
2.700 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.35098E-02 ppm1 -0.231 ppm2 3.465 CV 1
ASSI { 89}
(( segid " " and resid 100 and name HG13))
( segid " " and resid 100 and name HG2%)
3.000 1.200 1.200 peak 89 spectrum 1 weight 0.10000E+01 volume 0.35148E-02 ppm1 -0.226 ppm2 0.745 CV 1
ASSI { 90}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 97 and name HA ))
2.600 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18028E-02 ppm1 -0.225 ppm2 4.044 CV 1
ASSI { 91}
(( segid " " and resid 101 and name HG13))
(( segid " " and resid 101 and name HA ))
3.700 1.700 1.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.64544E-03 ppm1 -0.088 ppm2 4.568 CV 1
ASSI { 92}
(( segid " " and resid 101 and name HG13))
( segid " " and resid 101 and name HG2%)
3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.31193E-02 ppm1 -0.086 ppm2 0.693 CV 1
ASSI { 93}
(( segid " " and resid 101 and name HG13))
(( segid " " and resid 101 and name HB ))
2.700 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17926E-02 ppm1 -0.082 ppm2 1.768 CV 1
ASSI { 96}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 60 and name HB2 ))
4.100 2.200 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.97933E-03 ppm1 -0.069 ppm2 2.872 CV 1
ASSI { 98}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 55 and name HB3 ))
2.900 2.900 3.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.22748E-02 ppm1 -0.068 ppm2 1.890 CV 1
ASSI { 99}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 57 and name HB2 ))
2.600 2.600 3.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.23613E-02 ppm1 -0.067 ppm2 1.673 CV 1
ASSI { 102}
( segid " " and resid 57 and name HD2%)
( segid " " and resid 57 and name HD1%)
2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.25146E-02 ppm1 -0.065 ppm2 0.992 CV 1
ASSI { 104}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 99 and name HB3 ))
2.800 2.800 3.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.23871E-02 ppm1 -0.065 ppm2 2.558 CV 1
ASSI { 105}
(( segid " " and resid 101 and name HG13))
(( segid " " and resid 55 and name HA ))
3.700 1.800 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.15030E-02 ppm1 -0.065 ppm2 4.430 CV 1
ASSI { 108}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 60 and name HA ))
4.400 2.400 1.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.48748E-03 ppm1 -0.062 ppm2 5.165 CV 1
ASSI { 109}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HG ))
2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.46999E-02 ppm1 -0.055 ppm2 -1.943 CV 1
ASSI { 111}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HA ))
3.200 3.200 2.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.19055E-02 ppm1 -0.054 ppm2 4.402 CV 1
ASSI { 112}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HB2 ))
2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.36505E-02 ppm1 -0.053 ppm2 1.272 CV 1
ASSI { 113}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HB3 ))
2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.41064E-02 ppm1 -0.053 ppm2 0.205 CV 1
ASSI { 115}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 49 and name HA ))
3.600 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.82068E-03 ppm1 0.035 ppm2 4.992 CV 1
ASSI { 118}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 49 and name HG13))
3.900 1.900 1.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.43458E-03 ppm1 0.046 ppm2 0.526 CV 1
ASSI { 119}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 47 and name HB3 ))
2.900 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.13952E-02 ppm1 0.050 ppm2 2.725 CV 1
ASSI { 120}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 54 and name HA ))
2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.44019E-02 ppm1 0.050 ppm2 4.084 CV 1
ASSI { 121}
( segid " " and resid 54 and name HG2%)
( segid " " and resid 54 and name HG1%)
2.100 2.100 3.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.11929E-01 ppm1 0.051 ppm2 0.564 CV 1
ASSI { 123}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 37 and name HG13))
3.600 3.600 2.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10766E-02 ppm1 0.051 ppm2 0.961 CV 1
ASSI { 124}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 37 and name HA ))
2.800 2.800 3.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.51336E-03 ppm1 0.053 ppm2 3.624 CV 1
ASSI { 125}
( segid " " and resid 54 and name HG2%)
( segid " " and resid 49 and name HD1%)
2.800 2.800 3.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 0.054 ppm2 0.740 CV 1
ASSI { 126}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 32 and name HB2 ))
3.800 3.800 2.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.43872E-03 ppm1 0.065 ppm2 3.141 CV 1
ASSI { 128}
(( segid " " and resid 101 and name HG12))
(( segid " " and resid 101 and name HB ))
2.900 1.000 1.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.24004E-02 ppm1 0.157 ppm2 1.767 CV 1
ASSI { 129}
(( segid " " and resid 101 and name HG12))
(( segid " " and resid 101 and name HA ))
3.600 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.87841E-03 ppm1 0.162 ppm2 4.566 CV 1
ASSI { 130}
(( segid " " and resid 101 and name HG12))
( segid " " and resid 101 and name HG2%)
2.600 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.27030E-02 ppm1 0.164 ppm2 0.691 CV 1
ASSI { 131}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 78 and name HA ))
4.200 2.200 1.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.41372E-03 ppm1 0.176 ppm2 4.772 CV 1
ASSI { 132}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 48 and name HB2 ))
2.800 2.800 3.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14736E-02 ppm1 0.194 ppm2 1.225 CV 1
ASSI { 133}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 48 and name HG ))
2.700 2.700 3.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.46239E-02 ppm1 0.195 ppm2 -0.451 CV 1
ASSI { 135}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HA ))
2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.48917E-02 ppm1 0.195 ppm2 4.402 CV 1
ASSI { 136}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 79 and name HA ))
2.100 0.500 0.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.13304E-01 ppm1 0.196 ppm2 4.462 CV 1
ASSI { 139}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 74 and name HB3 ))
2.700 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.22560E-02 ppm1 0.196 ppm2 0.908 CV 1
ASSI { 141}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 82 and name HB3 ))
3.200 3.200 2.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10532E-02 ppm1 0.197 ppm2 1.789 CV 1
ASSI { 143}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 74 and name HA ))
3.800 1.800 1.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.74854E-03 ppm1 0.198 ppm2 4.187 CV 1
ASSI { 144}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 74 and name HG3 ))
3.000 3.000 3.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.22950E-02 ppm1 0.199 ppm2 1.440 CV 1
ASSI { 145}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 48 and name HB3 ))
3.800 1.800 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.95308E-03 ppm1 0.199 ppm2 0.749 CV 1
ASSI { 147}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 29 and name HG1%)
2.400 2.400 3.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.71771E-02 ppm1 0.325 ppm2 0.683 CV 1
ASSI { 149}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 102 and name HA2 ))
4.200 2.200 1.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.35571E-03 ppm1 0.347 ppm2 4.058 CV 1
ASSI { 150}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 103 and name HB3 ))
3.400 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.11159E-02 ppm1 0.348 ppm2 1.729 CV 1
ASSI { 151}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 103 and name HB2 ))
3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.94676E-03 ppm1 0.349 ppm2 2.173 CV 1
ASSI { 153}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 102 and name HA1 ))
4.000 2.000 2.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.29346E-03 ppm1 0.354 ppm2 4.393 CV 1
ASSI { 155}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 84 and name HG3 ))
3.300 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 0.443 ppm2 3.134 CV 1
ASSI { 156}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 50 and name HA ))
3.600 3.600 2.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.10139E-02 ppm1 0.444 ppm2 4.403 CV 1
ASSI { 157}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HB ))
2.400 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.44897E-02 ppm1 0.445 ppm2 2.937 CV 1
ASSI { 158}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HA ))
2.400 2.400 3.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.96977E-02 ppm1 0.446 ppm2 3.879 CV 1
ASSI { 159}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 84 and name HG2 ))
3.200 3.200 2.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.12049E-02 ppm1 0.447 ppm2 3.024 CV 1
ASSI { 160}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 51 and name HA ))
2.800 2.800 3.200 peak 160 spectrum 1 weight 0.10000E+01 volume 0.26309E-02 ppm1 0.456 ppm2 3.808 CV 1
ASSI { 161}
(( segid " " and resid 49 and name HG13))
( segid " " and resid 49 and name HD1%)
2.100 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.95716E-02 ppm1 0.516 ppm2 0.744 CV 1
ASSI { 163}
( segid " " and resid 54 and name HG1%)
(( segid " " and resid 103 and name HA ))
2.800 2.800 3.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 0.562 ppm2 5.122 CV 1
ASSI { 165}
( segid " " and resid 54 and name HG1%)
(( segid " " and resid 54 and name HA ))
2.600 2.600 3.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.43222E-02 ppm1 0.562 ppm2 4.082 CV 1
ASSI { 166}
( segid " " and resid 54 and name HG1%)
(( segid " " and resid 104 and name HA ))
3.000 3.000 3.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.17158E-02 ppm1 0.565 ppm2 4.588 CV 1
ASSI { 169}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 52 and name HB3 ))
4.000 2.000 2.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.44504E-03 ppm1 0.656 ppm2 3.215 CV 1
ASSI { 170}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 50 and name HA ))
3.500 1.600 1.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.57526E-03 ppm1 0.660 ppm2 4.406 CV 1
ASSI { 171}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 52 and name HB2 ))
4.000 2.000 2.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.45604E-03 ppm1 0.664 ppm2 3.668 CV 1
ASSI { 172}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HA ))
2.300 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.57429E-02 ppm1 0.670 ppm2 4.993 CV 1
ASSI { 175}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 29 and name HA ))
2.600 2.600 3.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.35061E-02 ppm1 0.674 ppm2 3.770 CV 1
ASSI { 179}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 101 and name HB ))
2.200 0.600 0.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.76451E-02 ppm1 0.686 ppm2 1.769 CV 1
ASSI { 183}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 56 and name HB3 ))
2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.33625E-02 ppm1 0.689 ppm2 1.807 CV 1
ASSI { 184}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 56 and name HA ))
2.700 2.700 3.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.66048E-03 ppm1 0.690 ppm2 4.995 CV 1
ASSI { 185}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HB ))
2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 0.692 ppm2 1.395 CV 1
ASSI { 187}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 102 and name HA1 ))
3.500 1.500 1.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.53951E-03 ppm1 0.707 ppm2 4.393 CV 1
ASSI { 192}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 40 and name HB2 ))
4.100 2.100 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.38454E-03 ppm1 0.723 ppm2 2.305 CV 1
ASSI { 193}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 38 and name HA ))
3.200 3.200 2.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.87963E-03 ppm1 0.724 ppm2 4.336 CV 1
OR { 193}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 38 and name HA ))
ASSI { 195}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 49 and name HG12))
2.100 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.93707E-02 ppm1 0.729 ppm2 1.283 CV 1
ASSI { 197}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 32 and name HB3 ))
2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.23958E-02 ppm1 0.729 ppm2 2.424 CV 1
ASSI { 207}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 55 and name HB2 ))
4.000 2.000 2.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.68922E-03 ppm1 0.755 ppm2 2.093 CV 1
ASSI { 208}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 53 and name HB3 ))
2.700 2.700 3.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.18685E-02 ppm1 0.759 ppm2 1.368 CV 1
ASSI { 210}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 53 and name HB2 ))
3.800 1.800 1.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.12453E-02 ppm1 0.760 ppm2 2.113 CV 1
ASSI { 211}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HD2 ))
4.200 2.300 1.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.24951E-03 ppm1 0.772 ppm2 4.411 CV 1
ASSI { 212}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HA ))
2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.52902E-02 ppm1 0.779 ppm2 4.078 CV 1
ASSI { 213}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HG3 ))
3.400 1.500 1.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.13043E-02 ppm1 0.783 ppm2 -0.307 CV 1
ASSI { 215}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 68 and name HA ))
4.600 2.600 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.56813E-03 ppm1 0.784 ppm2 5.792 CV 1
ASSI { 216}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 47 and name HA ))
3.100 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.12455E-02 ppm1 0.787 ppm2 6.168 CV 1
ASSI { 219}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HA ))
2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.35285E-02 ppm1 0.794 ppm2 3.161 CV 1
ASSI { 221}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 48 and name HG ))
2.200 0.600 0.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.78130E-02 ppm1 0.800 ppm2 -0.448 CV 1
ASSI { 223}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 53 and name HE3 ))
2.500 2.500 3.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.24496E-02 ppm1 0.801 ppm2 3.033 CV 1
OR { 223}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 53 and name HE2 ))
ASSI { 228}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 61 and name HD2%)
2.200 2.200 3.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10762E-01 ppm1 0.810 ppm2 1.197 CV 1
ASSI { 229}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 41 and name HA ))
3.200 1.300 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 0.811 ppm2 4.692 CV 1
ASSI { 230}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HB ))
2.200 2.200 3.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.86552E-02 ppm1 0.812 ppm2 3.644 CV 1
ASSI { 231}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 75 and name HB% )
2.200 2.200 3.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.95613E-02 ppm1 0.813 ppm2 1.423 CV 1
ASSI { 238}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 97 and name HB2 ))
2.100 2.100 3.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.32087E-02 ppm1 0.894 ppm2 1.942 CV 1
OR { 238}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 97 and name HB3 ))
ASSI { 239}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HG2 ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.53089E-02 ppm1 0.899 ppm2 2.065 CV 1
ASSI { 240}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HG3 ))
2.400 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.47157E-02 ppm1 0.902 ppm2 1.440 CV 1
ASSI { 242}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 38 and name HG2 ))
3.000 3.000 3.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 0.903 ppm2 2.557 CV 1
OR { 242}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 38 and name HG3 ))
ASSI { 248}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 79 and name HA ))
3.600 1.600 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.47269E-03 ppm1 0.906 ppm2 4.471 CV 1
ASSI { 251}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 104 and name HG ))
2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.36272E-02 ppm1 0.919 ppm2 1.832 CV 1
ASSI { 253}
( segid " " and resid 104 and name HD1%)
(( segid " " and resid 108 and name HB2 ))
3.100 3.100 2.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17231E-02 ppm1 0.928 ppm2 2.847 CV 1
ASSI { 255}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 37 and name HA ))
3.000 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.19776E-02 ppm1 0.946 ppm2 3.626 CV 1
ASSI { 256}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 32 and name HA ))
4.100 2.100 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.49141E-03 ppm1 0.952 ppm2 5.125 CV 1
ASSI { 257}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 33 and name HB ))
3.700 3.700 2.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.50445E-03 ppm1 0.969 ppm2 4.834 CV 1
ASSI { 258}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 80 and name HB ))
3.400 1.500 1.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 0.973 ppm2 2.934 CV 1
ASSI { 259}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 55 and name HB3 ))
2.900 2.900 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19394E-02 ppm1 0.974 ppm2 1.891 CV 1
ASSI { 260}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 47 and name HA ))
5.860 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.63103E-03 ppm1 0.975 ppm2 6.168 CV 1 !modification des valeurs de distances pour ce pic en prennant en commpte la distance de la structure testfit_1
ASSI { 261}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 55 and name HB2 ))
3.300 3.300 2.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 0.979 ppm2 2.095 CV 1
ASSI { 262}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 32 and name HB3 ))
2.600 2.600 3.400 peak 262 spectrum 1 weight 0.10000E+01 volume 0.97839E-03 ppm1 0.985 ppm2 2.428 CV 1
ASSI { 263}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 83 and name HA ))
3.900 1.900 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.46015E-03 ppm1 0.986 ppm2 3.396 CV 1
ASSI { 266}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 57 and name HB2 ))
2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.16987E-01 ppm1 0.992 ppm2 1.675 CV 1
ASSI { 268}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HA ))
2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.85067E-02 ppm1 1.025 ppm2 4.583 CV 1
OR { 268}
( segid " " and resid 104 and name HD2%)
(( segid " " and resid 104 and name HA ))
ASSI { 270}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HA ))
2.300 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.47652E-02 ppm1 1.028 ppm2 4.279 CV 1
ASSI { 271}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 54 and name HG2%)
2.200 2.200 3.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.78073E-02 ppm1 1.029 ppm2 0.060 CV 1
ASSI { 272}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 54 and name HG1%)
2.100 0.500 0.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 1.030 ppm2 0.564 CV 1
ASSI { 274}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 101 and name HG13))
3.400 1.500 1.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.99873E-03 ppm1 1.035 ppm2 -0.076 CV 1
ASSI { 275}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 101 and name HG12))
3.400 3.400 2.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12941E-02 ppm1 1.041 ppm2 0.170 CV 1
ASSI { 276}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 101 and name HD1%)
3.500 1.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.95355E-03 ppm1 1.041 ppm2 -1.161 CV 1
ASSI { 278}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 102 and name HA2 ))
4.100 2.100 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.26722E-03 ppm1 1.081 ppm2 4.058 CV 1
ASSI { 280}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 106 and name HA ))
3.200 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 1.112 ppm2 3.687 CV 1
OR { 280}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 106 and name HA ))
ASSI { 281}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 109 and name HA ))
3.100 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 1.116 ppm2 4.077 CV 1
OR { 281}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 109 and name HA ))
OR { 281}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 109 and name HA ))
ASSI { 287}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 71 and name HB3 ))
3.000 3.000 3.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.15790E-02 ppm1 1.195 ppm2 0.797 CV 1
ASSI { 288}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 105 and name HB2 ))
2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.20044E-02 ppm1 1.195 ppm2 2.879 CV 1
ASSI { 289}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HA ))
2.400 2.400 3.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.70548E-02 ppm1 1.196 ppm2 4.773 CV 1
ASSI { 290}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 32 and name HA ))
3.500 1.500 1.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.82131E-03 ppm1 1.196 ppm2 5.128 CV 1
ASSI { 292}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 105 and name HB3 ))
3.300 3.300 2.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.17692E-02 ppm1 1.199 ppm2 2.588 CV 1
ASSI { 294}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HB ))
2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11567E-01 ppm1 1.199 ppm2 4.839 CV 1
ASSI { 295}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 75 and name HA ))
3.100 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.21472E-02 ppm1 1.202 ppm2 3.775 CV 1
ASSI { 296}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 48 and name HD2%)
3.200 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 1.205 ppm2 0.822 CV 1
ASSI { 299}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HG ))
3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.98596E-03 ppm1 1.232 ppm2 -0.457 CV 1
ASSI { 300}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 80 and name HB ))
4.400 2.400 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 1.247 ppm2 2.931 CV 1
ASSI { 304}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 50 and name HD2%)
2.900 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.32352E-02 ppm1 1.259 ppm2 -0.763 CV 1
ASSI { 306}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HB2 ))
2.300 2.300 3.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.55119E-02 ppm1 1.268 ppm2 2.383 CV 1
ASSI { 311}
(( segid " " and resid 100 and name HG12))
( segid " " and resid 100 and name HD1%)
2.000 0.500 0.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.12411E-01 ppm1 1.292 ppm2 0.814 CV 1
ASSI { 312}
(( segid " " and resid 49 and name HG12))
(( segid " " and resid 49 and name HA ))
2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.22216E-02 ppm1 1.298 ppm2 4.993 CV 1
ASSI { 313}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 97 and name HA ))
3.300 1.300 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.32426E-02 ppm1 1.313 ppm2 4.045 CV 1
ASSI { 315}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HA ))
2.300 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.76283E-02 ppm1 1.328 ppm2 3.721 CV 1
ASSI { 318}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 45 and name HA ))
2.500 2.500 3.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.50788E-02 ppm1 1.338 ppm2 4.731 CV 1
ASSI { 321}
(( segid " " and resid 65 and name HG2 ))
(( segid " " and resid 65 and name HA ))
3.200 1.300 1.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.24318E-02 ppm1 1.356 ppm2 4.079 CV 1
ASSI { 323}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HE3 ))
2.800 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.36524E-02 ppm1 1.357 ppm2 2.919 CV 1
ASSI { 324}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 100 and name HA ))
2.700 2.700 3.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.29162E-02 ppm1 1.360 ppm2 3.466 CV 1
ASSI { 325}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HB2 ))
1.900 0.400 0.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.11054E-01 ppm1 1.370 ppm2 2.119 CV 1
ASSI { 327}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 36 and name HA ))
3.500 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 1.381 ppm2 4.100 CV 1
ASSI { 331}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 103 and name HA ))
3.200 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.17622E-02 ppm1 1.395 ppm2 5.120 CV 1
ASSI { 333}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 46 and name HA ))
2.900 2.900 3.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.26102E-02 ppm1 1.410 ppm2 4.281 CV 1
ASSI { 334}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 41 and name HA ))
2.100 2.100 3.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.11961E-01 ppm1 1.413 ppm2 4.691 CV 1
ASSI { 335}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 75 and name HA ))
2.100 0.500 0.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.11150E-01 ppm1 1.414 ppm2 3.774 CV 1
ASSI { 337}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 72 and name HA ))
2.400 2.400 3.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.49153E-02 ppm1 1.414 ppm2 3.847 CV 1
ASSI { 338}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 41 and name HB3 ))
3.100 3.100 2.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.23850E-02 ppm1 1.415 ppm2 2.987 CV 1
ASSI { 339}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.24119E-02 ppm1 1.416 ppm2 2.263 CV 1
ASSI { 340}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 76 and name HA1 ))
3.700 1.700 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.57451E-03 ppm1 1.418 ppm2 3.928 CV 1
ASSI { 341}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HA ))
3.200 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.15847E-02 ppm1 1.423 ppm2 4.183 CV 1
ASSI { 342}
(( segid " " and resid 100 and name HB ))
( segid " " and resid 100 and name HG2%)
2.100 0.500 0.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.12164E-01 ppm1 1.425 ppm2 0.744 CV 1
ASSI { 343}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 79 and name HA ))
3.600 1.600 1.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.73222E-03 ppm1 1.425 ppm2 4.461 CV 1
ASSI { 344}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 76 and name HA2 ))
3.800 1.800 1.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.53509E-03 ppm1 1.427 ppm2 3.559 CV 1
ASSI { 348}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 108 and name HA ))
2.800 1.000 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 1.483 ppm2 4.904 CV 1
OR { 348}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 108 and name HA ))
ASSI { 349}
(( segid " " and resid 114 and name HG3 ))
(( segid " " and resid 114 and name HA ))
3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.14701E-02 ppm1 1.487 ppm2 4.637 CV 1
ASSI { 351}
(( segid " " and resid 97 and name HG3 ))
(( segid " " and resid 97 and name HA ))
2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.34948E-02 ppm1 1.536 ppm2 4.049 CV 1
OR { 351}
(( segid " " and resid 97 and name HG2 ))
(( segid " " and resid 97 and name HA ))
ASSI { 353}
( segid " " and resid 70 and name HG1%)
(( segid " " and resid 70 and name HA ))
2.500 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.47506E-02 ppm1 1.552 ppm2 4.109 CV 1
ASSI { 354}
(( segid " " and resid 106 and name HD3 ))
(( segid " " and resid 105 and name HA ))
2.400 0.700 0.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.32968E-02 ppm1 1.557 ppm2 3.766 CV 1
ASSI { 355}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HB3 ))
2.300 0.700 0.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.55792E-02 ppm1 1.561 ppm2 1.369 CV 1
OR { 355}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HB3 ))
ASSI { 356}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 44 and name HA ))
2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.52438E-02 ppm1 1.566 ppm2 4.553 CV 1
OR { 356}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HA ))
ASSI { 358}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG2 ))
2.200 0.600 0.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.85556E-02 ppm1 1.580 ppm2 1.187 CV 1
OR { 358}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG2 ))
OR { 358}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG2 ))
OR { 358}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 359}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HG3 ))
2.200 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.84930E-02 ppm1 1.585 ppm2 1.086 CV 1
OR { 359}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG3 ))
OR { 359}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG3 ))
OR { 359}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG3 ))
ASSI { 360}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 90 and name HA ))
2.600 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.42060E-02 ppm1 1.587 ppm2 4.480 CV 1
ASSI { 361}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HA ))
2.700 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 1.589 ppm2 3.769 CV 1
ASSI { 362}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
2.100 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 1.590 ppm2 4.070 CV 1
OR { 362}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
ASSI { 363}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG2%)
2.400 0.700 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.58332E-02 ppm1 1.590 ppm2 0.353 CV 1
ASSI { 364}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 36 and name HA ))
2.500 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.43175E-02 ppm1 1.590 ppm2 4.090 CV 1
OR { 364}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 36 and name HA ))
OR { 364}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 36 and name HA ))
ASSI { 365}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE3 ))
2.000 0.500 0.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.17684E-01 ppm1 1.592 ppm2 2.917 CV 1
ASSI { 367}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 102 and name HA2 ))
3.000 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.15967E-02 ppm1 1.593 ppm2 4.049 CV 1
OR { 367}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 102 and name HA2 ))
OR { 367}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 102 and name HA2 ))
ASSI { 368}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HA ))
2.700 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.23218E-02 ppm1 1.594 ppm2 4.750 CV 1
ASSI { 369}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG1%)
2.400 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.56106E-02 ppm1 1.595 ppm2 0.684 CV 1
ASSI { 370}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
2.300 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.99334E-02 ppm1 1.596 ppm2 4.040 CV 1
OR { 370}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HA ))
ASSI { 371}
(( segid " " and resid 112 and name HB2 ))
(( segid " " and resid 108 and name HA ))
2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.26867E-02 ppm1 1.642 ppm2 4.905 CV 1
OR { 371}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 108 and name HA ))
ASSI { 372}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 33 and name HB ))
4.300 2.300 1.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.50860E-03 ppm1 1.657 ppm2 4.836 CV 1
ASSI { 373}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 60 and name HA ))
4.800 2.800 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.49860E-03 ppm1 1.661 ppm2 5.170 CV 1
ASSI { 375}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 38 and name HG2 ))
3.000 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.13937E-02 ppm1 1.663 ppm2 2.559 CV 1
OR { 375}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 38 and name HG3 ))
ASSI { 376}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HA ))
2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.51504E-02 ppm1 1.665 ppm2 4.280 CV 1
ASSI { 383}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 46 and name HB ))
3.400 1.400 1.400 peak 383 spectrum 1 weight 0.10000E+01 volume 0.49047E-03 ppm1 1.670 ppm2 3.641 CV 1
ASSI { 384}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 59 and name HA ))
2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.37987E-02 ppm1 1.682 ppm2 4.585 CV 1
OR { 384}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 59 and name HA ))
ASSI { 385}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 52 and name HB2 ))
2.600 2.600 3.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.97948E-03 ppm1 1.685 ppm2 3.659 CV 1
ASSI { 386}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 31 and name HA ))
3.700 3.700 2.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.59257E-03 ppm1 1.687 ppm2 5.691 CV 1
ASSI { 387}
(( segid " " and resid 104 and name HB2 ))
( segid " " and resid 104 and name HD2%)
2.300 2.300 3.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.82208E-02 ppm1 1.692 ppm2 1.049 CV 1
ASSI { 389}
(( segid " " and resid 119 and name HG ))
( segid " " and resid 119 and name HD2%)
2.100 0.600 0.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.11520E-01 ppm1 1.701 ppm2 0.870 CV 1
OR { 389}
(( segid " " and resid 119 and name HB3 ))
( segid " " and resid 119 and name HD2%)
ASSI { 391}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 58 and name HB ))
3.200 1.300 1.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.96563E-03 ppm1 1.701 ppm2 4.328 CV 1
OR { 391}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 58 and name HB ))
ASSI { 392}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 108 and name HB3 ))
3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.31380E-02 ppm1 1.706 ppm2 2.664 CV 1
ASSI { 393}
(( segid " " and resid 103 and name HB3 ))
(( segid " " and resid 103 and name HA ))
2.900 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.23900E-02 ppm1 1.707 ppm2 5.122 CV 1
ASSI { 394}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 109 and name HA ))
2.600 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.31906E-02 ppm1 1.710 ppm2 4.077 CV 1
ASSI { 396}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 108 and name HB2 ))
2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.48994E-02 ppm1 1.715 ppm2 2.837 CV 1
ASSI { 397}
(( segid " " and resid 119 and name HB3 ))
(( segid " " and resid 119 and name HA ))
2.300 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.67014E-02 ppm1 1.721 ppm2 4.326 CV 1
ASSI { 400}
(( segid " " and resid 106 and name HB3 ))
(( segid " " and resid 109 and name HB3 ))
2.400 2.400 3.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.65304E-02 ppm1 1.731 ppm2 1.135 CV 1
ASSI { 401}
(( segid " " and resid 106 and name HB3 ))
(( segid " " and resid 106 and name HA ))
2.300 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.57931E-02 ppm1 1.735 ppm2 3.691 CV 1
ASSI { 402}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HA ))
2.900 1.000 1.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.24249E-02 ppm1 1.739 ppm2 3.854 CV 1
ASSI { 404}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HD2 ))
2.200 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.71438E-02 ppm1 1.748 ppm2 3.367 CV 1
OR { 404}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HD3 ))
ASSI { 405}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 115 and name HD2 ))
3.000 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.19625E-02 ppm1 1.751 ppm2 3.859 CV 1
OR { 405}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 115 and name HD2 ))
ASSI { 406}
(( segid " " and resid 101 and name HB ))
(( segid " " and resid 101 and name HA ))
2.300 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.66618E-02 ppm1 1.758 ppm2 4.566 CV 1
ASSI { 408}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 114 and name HA ))
2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.33983E-02 ppm1 1.762 ppm2 4.632 CV 1
ASSI { 413}
(( segid " " and resid 97 and name HD2 ))
(( segid " " and resid 94 and name HA ))
2.600 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.41198E-02 ppm1 1.782 ppm2 4.296 CV 1
OR { 413}
(( segid " " and resid 97 and name HD3 ))
(( segid " " and resid 94 and name HA ))
ASSI { 414}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HA ))
2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.33756E-02 ppm1 1.794 ppm2 4.990 CV 1
ASSI { 416}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 79 and name HA ))
2.300 2.300 3.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 1.801 ppm2 4.462 CV 1
ASSI { 417}
(( segid " " and resid 56 and name HB3 ))
( segid " " and resid 54 and name HG2%)
3.600 3.600 2.400 peak 417 spectrum 1 weight 0.10000E+01 volume 0.59363E-03 ppm1 1.803 ppm2 0.063 CV 1
ASSI { 418}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 75 and name HA ))
3.800 1.800 1.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.38255E-03 ppm1 1.804 ppm2 3.780 CV 1
ASSI { 419}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 47 and name HA ))
4.200 2.200 1.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.64099E-03 ppm1 1.808 ppm2 6.168 CV 1
ASSI { 420}
(( segid " " and resid 74 and name HB2 ))
( segid " " and resid 79 and name HB% )
2.800 1.000 1.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.52382E-02 ppm1 1.813 ppm2 0.204 CV 1
ASSI { 422}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 110 and name HD3 ))
2.900 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.23065E-02 ppm1 1.815 ppm2 3.529 CV 1
ASSI { 424}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 115 and name HD3 ))
3.300 3.300 2.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.92141E-03 ppm1 1.820 ppm2 3.657 CV 1
ASSI { 425}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HA ))
2.600 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.55200E-02 ppm1 1.822 ppm2 4.184 CV 1
ASSI { 428}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HG3 ))
2.300 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.61639E-02 ppm1 1.826 ppm2 1.453 CV 1
ASSI { 429}
(( segid " " and resid 64 and name HB3 ))
(( segid " " and resid 64 and name HB2 ))
1.900 0.400 0.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.11628E-01 ppm1 1.833 ppm2 2.412 CV 1
ASSI { 431}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 71 and name HA ))
3.600 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.34930E-03 ppm1 1.837 ppm2 3.154 CV 1
ASSI { 433}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HA ))
2.500 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.34170E-02 ppm1 1.853 ppm2 3.996 CV 1
ASSI { 437}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 100 and name HA ))
3.600 1.600 1.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.61045E-03 ppm1 1.867 ppm2 3.465 CV 1
ASSI { 439}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 99 and name HB3 ))
2.900 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 1.878 ppm2 2.560 CV 1
ASSI { 441}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HA ))
2.300 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.47712E-02 ppm1 1.882 ppm2 4.432 CV 1
ASSI { 442}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 108 and name HA ))
3.100 1.200 1.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 1.890 ppm2 4.901 CV 1
ASSI { 443}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HA ))
2.400 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.44623E-02 ppm1 1.901 ppm2 4.551 CV 1
ASSI { 444}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 100 and name HG13))
4.400 2.400 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.35001E-03 ppm1 1.910 ppm2 -0.217 CV 1
ASSI { 445}
(( segid " " and resid 97 and name HB3 ))
( segid " " and resid 100 and name HD1%)
3.000 3.000 3.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 1.920 ppm2 0.815 CV 1
OR { 445}
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 100 and name HD1%)
ASSI { 446}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 98 and name HA ))
3.100 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13968E-02 ppm1 1.927 ppm2 3.888 CV 1
OR { 446}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 98 and name HA ))
ASSI { 447}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 97 and name HA ))
2.300 0.600 0.600 peak 447 spectrum 1 weight 0.10000E+01 volume 0.68169E-02 ppm1 1.931 ppm2 4.040 CV 1
OR { 447}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 97 and name HA ))
ASSI { 449}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HA ))
2.200 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.91070E-02 ppm1 1.945 ppm2 3.999 CV 1
OR { 449}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HA ))
ASSI { 450}
(( segid " " and resid 72 and name HG2 ))
( segid " " and resid 75 and name HB% )
3.200 3.200 2.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.16855E-02 ppm1 1.950 ppm2 1.420 CV 1
ASSI { 451}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HA ))
2.400 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.47475E-02 ppm1 1.961 ppm2 4.335 CV 1
ASSI { 453}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 36 and name HA ))
3.200 3.200 2.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.18953E-02 ppm1 1.961 ppm2 4.097 CV 1
ASSI { 454}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HG3 ))
2.400 0.700 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.63100E-02 ppm1 1.967 ppm2 2.557 CV 1
OR { 454}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 455}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HG3 ))
1.600 0.300 0.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.24881E-01 ppm1 1.968 ppm2 1.757 CV 1
ASSI { 456}
(( segid " " and resid 115 and name HB3 ))
(( segid " " and resid 115 and name HA ))
2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 1.975 ppm2 4.736 CV 1
ASSI { 457}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HD3 ))
2.100 0.500 0.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.14295E-01 ppm1 1.980 ppm2 3.368 CV 1
OR { 457}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HD2 ))
OR { 457}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 72 and name HD3 ))
ASSI { 459}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HA ))
2.900 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 1.982 ppm2 4.449 CV 1
ASSI { 460}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HA ))
2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.48792E-02 ppm1 1.984 ppm2 4.584 CV 1
ASSI { 462}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HG2 ))
2.200 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.64451E-02 ppm1 1.994 ppm2 2.408 CV 1
ASSI { 464}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 72 and name HA ))
2.200 2.200 3.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.77174E-02 ppm1 2.003 ppm2 3.848 CV 1
ASSI { 465}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 69 and name HA ))
2.900 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.65105E-02 ppm1 2.009 ppm2 4.238 CV 1
ASSI { 467}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HA ))
2.800 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.25440E-02 ppm1 2.041 ppm2 4.184 CV 1
ASSI { 468}
(( segid " " and resid 37 and name HG12))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.15211E-02 ppm1 2.042 ppm2 3.625 CV 1
ASSI { 471}
(( segid " " and resid 37 and name HG12))
(( segid " " and resid 32 and name HB2 ))
3.300 1.400 1.400 peak 471 spectrum 1 weight 0.10000E+01 volume 0.16407E-02 ppm1 2.046 ppm2 3.144 CV 1
ASSI { 473}
(( segid " " and resid 37 and name HG12))
( segid " " and resid 54 and name HG2%)
3.400 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.66662E-03 ppm1 2.052 ppm2 0.060 CV 1
ASSI { 474}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 61 and name HD2%)
2.200 2.200 3.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.65796E-02 ppm1 2.059 ppm2 1.196 CV 1
ASSI { 476}
(( segid " " and resid 74 and name HG2 ))
( segid " " and resid 79 and name HB% )
3.500 1.600 1.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 2.064 ppm2 0.209 CV 1
ASSI { 477}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 68 and name HB2 ))
3.200 3.200 2.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.13918E-02 ppm1 2.064 ppm2 2.882 CV 1
ASSI { 479}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 68 and name HA ))
3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.73409E-03 ppm1 2.076 ppm2 5.790 CV 1
ASSI { 483}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HA ))
2.400 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.46282E-02 ppm1 2.085 ppm2 4.774 CV 1
ASSI { 484}
(( segid " " and resid 55 and name HB2 ))
( segid " " and resid 57 and name HD2%)
3.000 3.000 3.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.23895E-02 ppm1 2.091 ppm2 -0.057 CV 1
ASSI { 486}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HA ))
2.700 0.900 0.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.36602E-02 ppm1 2.097 ppm2 4.432 CV 1
ASSI { 487}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 99 and name HB2 ))
4.700 2.800 1.300 peak 487 spectrum 1 weight 0.10000E+01 volume 0.62100E-03 ppm1 2.104 ppm2 3.630 CV 1
ASSI { 489}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.500 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.39457E-02 ppm1 2.111 ppm2 4.333 CV 1
ASSI { 491}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG3 ))
2.300 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.59892E-02 ppm1 2.118 ppm2 2.557 CV 1
OR { 491}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 492}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 100 and name HG13))
4.700 2.800 1.300 peak 492 spectrum 1 weight 0.10000E+01 volume 0.44181E-03 ppm1 2.121 ppm2 -0.222 CV 1
ASSI { 493}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HB3 ))
1.700 0.300 0.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21936E-01 ppm1 2.160 ppm2 1.917 CV 1
ASSI { 495}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HA ))
2.500 0.800 0.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.64298E-02 ppm1 2.164 ppm2 4.553 CV 1
ASSI { 496}
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 106 and name HB3 ))
1.900 0.400 0.400 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12115E-01 ppm1 2.167 ppm2 1.752 CV 1
ASSI { 497}
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 106 and name HA ))
2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.37374E-02 ppm1 2.168 ppm2 3.690 CV 1
ASSI { 498}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 53 and name HA ))
2.600 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.34762E-02 ppm1 2.174 ppm2 4.751 CV 1
OR { 498}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 53 and name HA ))
ASSI { 500}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 103 and name HB3 ))
1.900 0.400 0.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.13801E-01 ppm1 2.177 ppm2 1.730 CV 1
ASSI { 502}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 103 and name HA ))
2.200 0.600 0.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.75804E-02 ppm1 2.189 ppm2 5.121 CV 1
OR { 502}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 103 and name HA ))
ASSI { 503}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 102 and name HA1 ))
3.800 1.800 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.39494E-03 ppm1 2.192 ppm2 4.388 CV 1
ASSI { 504}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 31 and name HA ))
4.300 2.300 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.44881E-03 ppm1 2.194 ppm2 5.693 CV 1
OR { 504}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 31 and name HA ))
ASSI { 505}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 102 and name HA2 ))
4.100 2.100 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.41092E-03 ppm1 2.202 ppm2 4.041 CV 1
ASSI { 506}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HG2 ))
2.400 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.48792E-02 ppm1 2.214 ppm2 1.684 CV 1
OR { 506}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 508}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HA ))
2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.63025E-02 ppm1 2.216 ppm2 4.583 CV 1
ASSI { 509}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HA ))
2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.32068E-02 ppm1 2.217 ppm2 4.229 CV 1
OR { 509}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 512}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 82 and name HA ))
2.200 0.600 0.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.78295E-02 ppm1 2.225 ppm2 4.332 CV 1
ASSI { 513}
(( segid " " and resid 95 and name HB3 ))
(( segid " " and resid 95 and name HA ))
2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.47849E-02 ppm1 2.233 ppm2 4.171 CV 1
ASSI { 516}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HA ))
2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.25649E-02 ppm1 2.248 ppm2 4.777 CV 1
ASSI { 517}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 76 and name HA1 ))
3.000 1.100 1.100 peak 517 spectrum 1 weight 0.10000E+01 volume 0.14085E-02 ppm1 2.249 ppm2 3.930 CV 1
ASSI { 518}
(( segid " " and resid 70 and name HB ))
( segid " " and resid 70 and name HG1%)
2.300 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.72631E-02 ppm1 2.252 ppm2 1.580 CV 1
ASSI { 519}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 33 and name HB ))
3.700 1.700 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.49857E-03 ppm1 2.253 ppm2 4.839 CV 1
OR { 519}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 33 and name HB ))
ASSI { 520}
(( segid " " and resid 106 and name HD2 ))
(( segid " " and resid 106 and name HD3 ))
2.000 0.500 0.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.79263E-02 ppm1 2.254 ppm2 1.567 CV 1
ASSI { 524}
(( segid " " and resid 70 and name HB ))
( segid " " and resid 70 and name HG2%)
2.700 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.25716E-02 ppm1 2.257 ppm2 1.476 CV 1
ASSI { 525}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 70 and name HA ))
2.300 0.600 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.80262E-02 ppm1 2.258 ppm2 4.108 CV 1
ASSI { 528}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 80 and name HG2%)
3.400 1.400 1.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.71644E-03 ppm1 2.260 ppm2 0.455 CV 1
ASSI { 529}
(( segid " " and resid 94 and name HB3 ))
(( segid " " and resid 94 and name HA ))
2.200 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.72783E-02 ppm1 2.270 ppm2 4.295 CV 1
ASSI { 533}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HA ))
3.000 1.100 1.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.23451E-02 ppm1 2.293 ppm2 3.996 CV 1
ASSI { 536}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HA ))
2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.54057E-02 ppm1 2.317 ppm2 4.093 CV 1
ASSI { 537}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 91 and name HA ))
2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.35157E-02 ppm1 2.324 ppm2 4.512 CV 1
ASSI { 538}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HA ))
3.200 1.300 1.300 peak 538 spectrum 1 weight 0.10000E+01 volume 0.16189E-02 ppm1 2.348 ppm2 4.450 CV 1
ASSI { 539}
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 115 and name HA ))
2.900 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.23884E-02 ppm1 2.383 ppm2 4.735 CV 1
ASSI { 540}
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 116 and name HD3 ))
4.000 2.000 2.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.64118E-03 ppm1 2.385 ppm2 3.696 CV 1
ASSI { 544}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
2.600 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.27373E-02 ppm1 2.406 ppm2 5.129 CV 1
ASSI { 545}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 54 and name HG1%)
3.100 1.200 1.200 peak 545 spectrum 1 weight 0.10000E+01 volume 0.20803E-02 ppm1 2.408 ppm2 0.563 CV 1
ASSI { 546}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HB2 ))
2.000 0.500 0.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.78242E-02 ppm1 2.410 ppm2 3.142 CV 1
ASSI { 547}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HA ))
2.600 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.35746E-02 ppm1 2.414 ppm2 5.428 CV 1
ASSI { 548}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HB2 ))
1.900 0.400 0.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.12474E-01 ppm1 2.415 ppm2 2.774 CV 1
ASSI { 549}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HG3 ))
3.000 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.28559E-02 ppm1 2.415 ppm2 3.135 CV 1
ASSI { 551}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HG2 ))
2.600 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.29536E-02 ppm1 2.421 ppm2 3.024 CV 1
ASSI { 552}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 74 and name HG3 ))
3.300 3.300 2.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.10465E-02 ppm1 2.427 ppm2 1.441 CV 1
ASSI { 554}
(( segid " " and resid 61 and name HG ))
( segid " " and resid 61 and name HD2%)
2.000 0.500 0.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.13845E-01 ppm1 2.457 ppm2 1.198 CV 1
ASSI { 555}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 46 and name HB ))
3.600 1.600 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.74256E-03 ppm1 2.458 ppm2 3.644 CV 1
ASSI { 556}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 58 and name HB ))
2.800 2.800 3.200 peak 556 spectrum 1 weight 0.10000E+01 volume 0.61328E-03 ppm1 2.461 ppm2 4.326 CV 1
ASSI { 557}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HA ))
2.200 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.70893E-02 ppm1 2.463 ppm2 4.171 CV 1
ASSI { 559}
( segid " " and resid 86 and name HG1%)
( segid " " and resid 86 and name HG2%)
4.300 2.300 1.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.20066E-03 ppm1 2.466 ppm2 1.771 CV 1
ASSI { 560}
(( segid " " and resid 71 and name HG ))
(( segid " " and resid 68 and name HA ))
2.800 1.000 1.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 2.480 ppm2 5.790 CV 1
ASSI { 561}
( segid " " and resid 92 and name HB% )
(( segid " " and resid 92 and name HA ))
2.600 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.32862E-02 ppm1 2.499 ppm2 4.226 CV 1
ASSI { 565}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HA ))
2.300 0.700 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.70604E-02 ppm1 2.512 ppm2 4.886 CV 1
ASSI { 567}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 94 and name HA ))
2.600 0.900 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.32691E-02 ppm1 2.526 ppm2 4.297 CV 1
ASSI { 568}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HA ))
2.500 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.67639E-02 ppm1 2.529 ppm2 4.238 CV 1
ASSI { 569}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 35 and name HA ))
3.200 1.300 0.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 2.541 ppm2 3.924 CV 1
OR { 569}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 35 and name HA ))
ASSI { 570}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 76 and name HA1 ))
4.200 2.200 1.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.41335E-03 ppm1 2.544 ppm2 3.930 CV 1
OR { 570}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 76 and name HA1 ))
ASSI { 571}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HA ))
2.400 0.700 0.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.53478E-02 ppm1 2.545 ppm2 4.336 CV 1
OR { 571}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HA ))
ASSI { 572}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 55 and name HB2 ))
4.200 2.300 1.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.77653E-03 ppm1 2.550 ppm2 2.095 CV 1
ASSI { 574}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 99 and name HB2 ))
1.900 0.400 0.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.10961E-01 ppm1 2.553 ppm2 3.628 CV 1
ASSI { 575}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 76 and name HA2 ))
4.200 2.200 1.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.45345E-03 ppm1 2.553 ppm2 3.550 CV 1
OR { 575}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 76 and name HA2 ))
ASSI { 576}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 59 and name HG3 ))
2.500 2.500 3.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.99424E-03 ppm1 2.556 ppm2 1.700 CV 1
OR { 576}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 59 and name HG2 ))
ASSI { 579}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 34 and name HG ))
3.000 1.100 1.100 peak 579 spectrum 1 weight 0.10000E+01 volume 0.12955E-02 ppm1 2.572 ppm2 1.667 CV 1
ASSI { 580}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 91 and name HA ))
2.300 2.300 3.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.99378E-02 ppm1 2.573 ppm2 4.514 CV 1
ASSI { 582}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 57 and name HB3 ))
2.600 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 2.576 ppm2 1.056 CV 1
ASSI { 583}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HA ))
2.500 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.60148E-02 ppm1 2.587 ppm2 5.167 CV 1
ASSI { 585}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HA ))
2.300 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.70965E-02 ppm1 2.591 ppm2 4.579 CV 1
OR { 585}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HA ))
ASSI { 586}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 57 and name HB2 ))
3.500 1.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.27617E-02 ppm1 2.597 ppm2 1.670 CV 1
ASSI { 587}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 33 and name HB ))
4.300 2.300 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.55767E-03 ppm1 2.600 ppm2 4.836 CV 1
ASSI { 589}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 90 and name HA ))
2.700 2.700 3.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.49524E-02 ppm1 2.602 ppm2 4.479 CV 1
ASSI { 590}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HD2 ))
2.300 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.68829E-02 ppm1 2.604 ppm2 4.106 CV 1
OR { 590}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HD2 ))
ASSI { 591}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HD3 ))
2.500 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.61795E-02 ppm1 2.604 ppm2 3.811 CV 1
OR { 591}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HD3 ))
ASSI { 593}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HG3 ))
2.200 0.600 0.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.94691E-02 ppm1 2.609 ppm2 2.795 CV 1
OR { 593}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HG3 ))
ASSI { 598}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HA ))
2.700 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.19619E-02 ppm1 2.630 ppm2 5.690 CV 1
ASSI { 600}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HA ))
2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.53634E-02 ppm1 2.642 ppm2 4.444 CV 1
ASSI { 602}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 108 and name HA ))
2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.27761E-02 ppm1 2.655 ppm2 4.906 CV 1
ASSI { 603}
(( segid " " and resid 108 and name HB3 ))
( segid " " and resid 104 and name HD2%)
2.700 2.700 3.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.35761E-02 ppm1 2.655 ppm2 1.053 CV 1
ASSI { 605}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HA ))
3.000 1.100 1.100 peak 605 spectrum 1 weight 0.10000E+01 volume 0.21974E-02 ppm1 2.659 ppm2 3.160 CV 1
ASSI { 606}
(( segid " " and resid 124 and name HB2 ))
(( segid " " and resid 124 and name HA ))
3.200 1.300 1.300 peak 606 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 2.668 ppm2 4.617 CV 1
OR { 606}
(( segid " " and resid 124 and name HB3 ))
(( segid " " and resid 124 and name HA ))
ASSI { 608}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 40 and name HB3 ))
3.800 1.800 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 2.692 ppm2 1.854 CV 1
ASSI { 610}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HA ))
2.900 1.100 1.100 peak 610 spectrum 1 weight 0.10000E+01 volume 0.14682E-02 ppm1 2.698 ppm2 4.776 CV 1
ASSI { 612}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HG3 ))
1.800 0.400 0.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16386E-01 ppm1 2.701 ppm2 2.292 CV 1
ASSI { 613}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HA ))
2.500 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.31847E-02 ppm1 2.714 ppm2 6.168 CV 1
ASSI { 614}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 40 and name HB2 ))
3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.92378E-03 ppm1 2.716 ppm2 2.301 CV 1
ASSI { 617}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 37 and name HG2%)
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.21616E-02 ppm1 2.717 ppm2 0.739 CV 1
ASSI { 618}
(( segid " " and resid 93 and name HG3 ))
(( segid " " and resid 93 and name HD2 ))
2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.51373E-02 ppm1 2.762 ppm2 4.106 CV 1
ASSI { 619}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HA ))
2.500 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.53469E-02 ppm1 2.766 ppm2 5.428 CV 1
ASSI { 620}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HG3 ))
2.500 0.800 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.34752E-02 ppm1 2.771 ppm2 3.136 CV 1
ASSI { 621}
(( segid " " and resid 93 and name HG3 ))
(( segid " " and resid 93 and name HG2 ))
1.900 0.500 0.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.98306E-02 ppm1 2.781 ppm2 3.063 CV 1
ASSI { 622}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HG2 ))
2.900 1.100 1.100 peak 622 spectrum 1 weight 0.10000E+01 volume 0.32233E-02 ppm1 2.787 ppm2 3.028 CV 1
ASSI { 624}
(( segid " " and resid 109 and name HD2 ))
(( segid " " and resid 109 and name HB3 ))
3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.87421E-03 ppm1 2.823 ppm2 1.130 CV 1
ASSI { 626}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HA ))
3.200 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 2.830 ppm2 5.691 CV 1
ASSI { 627}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 106 and name HD3 ))
3.400 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.73596E-03 ppm1 2.836 ppm2 1.565 CV 1
ASSI { 628}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 106 and name HD2 ))
4.200 2.200 1.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.63806E-03 ppm1 2.838 ppm2 2.268 CV 1
ASSI { 629}
(( segid " " and resid 113 and name HB2 ))
(( segid " " and resid 112 and name HG ))
2.900 1.100 1.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 2.840 ppm2 1.665 CV 1
ASSI { 630}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 105 and name HA ))
3.400 1.400 1.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.20639E-02 ppm1 2.844 ppm2 3.760 CV 1
ASSI { 631}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HA ))
2.200 0.600 0.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.67468E-02 ppm1 2.845 ppm2 5.790 CV 1
OR { 631}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 68 and name HA ))
OR { 631}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 68 and name HA ))
ASSI { 632}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 69 and name HA ))
3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 2.851 ppm2 4.240 CV 1
OR { 632}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 69 and name HA ))
ASSI { 633}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 57 and name HB3 ))
4.600 2.700 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.55284E-03 ppm1 2.853 ppm2 1.058 CV 1
ASSI { 634}
(( segid " " and resid 64 and name HAC ))
(( segid " " and resid 82 and name HB3 ))
2.900 1.000 1.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.17540E-02 ppm1 2.854 ppm2 1.797 CV 1
ASSI { 640}
(( segid " " and resid 64 and name HAC ))
(( segid " " and resid 74 and name HG3 ))
3.000 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 2.862 ppm2 1.442 CV 1
ASSI { 641}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 57 and name HA ))
3.100 1.200 1.200 peak 641 spectrum 1 weight 0.10000E+01 volume 0.18204E-02 ppm1 2.862 ppm2 4.282 CV 1
ASSI { 642}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 61 and name HB3 ))
2.700 0.900 0.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.26509E-02 ppm1 2.863 ppm2 2.096 CV 1
OR { 642}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 61 and name HB3 ))
ASSI { 645}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HA ))
2.300 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.62664E-02 ppm1 2.866 ppm2 5.167 CV 1
ASSI { 646}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 33 and name HB ))
4.200 2.200 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.46718E-03 ppm1 2.866 ppm2 4.840 CV 1
ASSI { 647}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HB3 ))
2.000 0.500 0.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.76812E-02 ppm1 2.868 ppm2 2.589 CV 1
ASSI { 648}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HA ))
2.600 0.800 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.36954E-02 ppm1 2.871 ppm2 4.905 CV 1
ASSI { 649}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 82 and name HA ))
2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.24965E-02 ppm1 2.872 ppm2 4.330 CV 1
ASSI { 650}
(( segid " " and resid 108 and name HB2 ))
( segid " " and resid 104 and name HD2%)
2.600 2.600 3.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.33192E-02 ppm1 2.873 ppm2 1.051 CV 1
ASSI { 651}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HA ))
2.600 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.62916E-02 ppm1 2.875 ppm2 4.867 CV 1
ASSI { 655}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HA ))
3.400 1.500 1.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.55910E-03 ppm1 2.900 ppm2 3.394 CV 1
ASSI { 656}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 101 and name HG2%)
2.700 0.900 0.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.40307E-02 ppm1 2.905 ppm2 0.689 CV 1
ASSI { 658}
(( segid " " and resid 39 and name HE2 ))
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.17508E-02 ppm1 2.911 ppm2 4.092 CV 1
OR { 658}
(( segid " " and resid 39 and name HE3 ))
(( segid " " and resid 36 and name HA ))
ASSI { 660}
(( segid " " and resid 39 and name HE3 ))
(( segid " " and resid 39 and name HG3 ))
3.100 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12705E-02 ppm1 2.914 ppm2 1.358 CV 1
OR { 660}
(( segid " " and resid 39 and name HE2 ))
(( segid " " and resid 39 and name HG3 ))
ASSI { 662}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HA ))
2.600 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.24064E-02 ppm1 2.915 ppm2 4.990 CV 1
ASSI { 667}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 79 and name HA ))
3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.55670E-03 ppm1 2.935 ppm2 4.459 CV 1
ASSI { 669}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 50 and name HB3 ))
3.500 1.500 1.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.71261E-03 ppm1 2.952 ppm2 0.205 CV 1
ASSI { 671}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 76 and name HA1 ))
3.200 1.200 1.200 peak 671 spectrum 1 weight 0.10000E+01 volume 0.81654E-03 ppm1 2.975 ppm2 3.930 CV 1
ASSI { 672}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HA ))
2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.62496E-02 ppm1 2.978 ppm2 4.692 CV 1
ASSI { 674}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HA ))
2.900 1.100 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 2.982 ppm2 6.168 CV 1
ASSI { 676}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 38 and name HA ))
3.300 1.300 1.300 peak 676 spectrum 1 weight 0.10000E+01 volume 0.77136E-03 ppm1 2.986 ppm2 4.331 CV 1
ASSI { 677}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 54 and name HG2%)
3.800 1.900 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.92524E-03 ppm1 2.988 ppm2 0.060 CV 1
ASSI { 678}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 40 and name HB3 ))
3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.11503E-02 ppm1 2.991 ppm2 1.856 CV 1
ASSI { 679}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 37 and name HG2%)
2.900 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.24641E-02 ppm1 2.997 ppm2 0.739 CV 1
ASSI { 680}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 40 and name HB2 ))
2.800 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14316E-02 ppm1 2.998 ppm2 2.304 CV 1
ASSI { 681}
(( segid " " and resid 97 and name HE2 ))
(( segid " " and resid 94 and name HA ))
2.800 1.000 1.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.21115E-02 ppm1 3.003 ppm2 4.294 CV 1
OR { 681}
(( segid " " and resid 97 and name HE3 ))
(( segid " " and resid 94 and name HA ))
ASSI { 682}
(( segid " " and resid 97 and name HE2 ))
(( segid " " and resid 97 and name HD2 ))
2.300 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.66531E-02 ppm1 3.020 ppm2 1.797 CV 1
OR { 682}
(( segid " " and resid 97 and name HE3 ))
(( segid " " and resid 97 and name HD3 ))
OR { 682}
(( segid " " and resid 97 and name HE2 ))
(( segid " " and resid 97 and name HD3 ))
OR { 682}
(( segid " " and resid 97 and name HE3 ))
(( segid " " and resid 97 and name HD2 ))
ASSI { 686}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HA ))
2.400 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.47394E-02 ppm1 3.030 ppm2 4.865 CV 1
ASSI { 687}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 82 and name HA ))
2.800 1.000 1.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.37869E-02 ppm1 3.033 ppm2 4.331 CV 1
ASSI { 690}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HB2 ))
2.400 0.700 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.45846E-02 ppm1 3.051 ppm2 2.615 CV 1
OR { 690}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HB3 ))
ASSI { 692}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HD2 ))
2.400 0.700 0.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.40690E-02 ppm1 3.054 ppm2 4.106 CV 1
ASSI { 693}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HD3 ))
2.500 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.35509E-02 ppm1 3.055 ppm2 3.811 CV 1
ASSI { 694}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 84 and name HB2 ))
2.300 2.300 3.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.56975E-02 ppm1 3.056 ppm2 2.776 CV 1
ASSI { 695}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HA ))
2.900 1.000 1.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.24633E-02 ppm1 3.057 ppm2 4.578 CV 1
ASSI { 696}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 90 and name HA ))
3.400 1.400 1.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.80066E-03 ppm1 3.057 ppm2 4.482 CV 1
ASSI { 698}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HA ))
2.200 0.600 0.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.88159E-02 ppm1 3.107 ppm2 3.807 CV 1
OR { 698}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HA ))
ASSI { 699}
(( segid " " and resid 84 and name HG3 ))
(( segid " " and resid 84 and name HA ))
2.900 1.100 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.29551E-02 ppm1 3.111 ppm2 5.423 CV 1
ASSI { 700}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 37 and name HG13))
3.700 1.700 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.97721E-03 ppm1 3.126 ppm2 0.923 CV 1
ASSI { 701}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 54 and name HG1%)
3.100 3.100 2.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.94972E-03 ppm1 3.134 ppm2 0.563 CV 1
ASSI { 702}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.35957E-02 ppm1 3.137 ppm2 5.130 CV 1
ASSI { 705}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 71 and name HD2%)
3.700 1.700 1.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.33666E-03 ppm1 3.155 ppm2 -2.413 CV 1
ASSI { 706}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 74 and name HG3 ))
4.000 2.000 2.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.39909E-03 ppm1 3.157 ppm2 1.439 CV 1
ASSI { 707}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HG2 ))
3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.84260E-03 ppm1 3.160 ppm2 1.706 CV 1
OR { 707}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HG3 ))
OR { 707}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HG2 ))
ASSI { 708}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HA ))
2.500 0.800 0.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.41001E-02 ppm1 3.197 ppm2 3.866 CV 1
ASSI { 711}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 40 and name HA ))
3.000 3.000 3.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.14468E-02 ppm1 3.276 ppm2 3.995 CV 1
ASSI { 715}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HB3 ))
2.600 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.33603E-02 ppm1 3.355 ppm2 1.995 CV 1
OR { 715}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HB3 ))
ASSI { 717}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HB2 ))
2.800 1.000 1.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.23331E-02 ppm1 3.362 ppm2 2.067 CV 1
OR { 717}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HB2 ))
! ASSI { 721}
! ( segid " " and resid 71 and name HD1%)
! (( segid " " and resid 68 and name HB3 ))
! 2.800 2.800 3.200 peak 721 spectrum 1 weight 0.10000E+01 volume 0.60839E-03 ppm1 3.366 ppm2 2.775 CV 1
ASSI { 723}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HB3 ))
3.400 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.65519E-03 ppm1 3.388 ppm2 0.789 CV 1
ASSI { 725}
(( segid " " and resid 100 and name HA ))
( segid " " and resid 100 and name HG2%)
2.500 0.800 0.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.42882E-02 ppm1 3.458 ppm2 0.745 CV 1
ASSI { 726}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 55 and name HA ))
2.400 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.54356E-02 ppm1 3.458 ppm2 4.434 CV 1
ASSI { 729}
(( segid " " and resid 100 and name HA ))
( segid " " and resid 100 and name HD1%)
3.800 1.800 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12082E-02 ppm1 3.469 ppm2 0.814 CV 1
ASSI { 733}
(( segid " " and resid 96 and name HB3 ))
(( segid " " and resid 96 and name HA ))
2.300 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.54568E-02 ppm1 3.534 ppm2 3.891 CV 1
ASSI { 734}
(( segid " " and resid 76 and name HA2 ))
(( segid " " and resid 38 and name HA ))
3.200 1.300 1.300 peak 734 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 3.552 ppm2 4.336 CV 1
ASSI { 735}
(( segid " " and resid 77 and name HA2 ))
(( segid " " and resid 77 and name HA1 ))
1.800 0.400 0.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14052E-01 ppm1 3.563 ppm2 4.228 CV 1
ASSI { 737}
(( segid " " and resid 98 and name HB ))
( segid " " and resid 98 and name HG2%)
2.300 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.73789E-02 ppm1 3.569 ppm2 0.911 CV 1
ASSI { 738}
(( segid " " and resid 76 and name HA2 ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 3.579 ppm2 2.263 CV 1
ASSI { 739}
(( segid " " and resid 77 and name HA2 ))
( segid " " and resid 49 and name HD1%)
2.500 2.500 3.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.56455E-02 ppm1 3.585 ppm2 0.739 CV 1
ASSI { 740}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB ))
3.300 1.300 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.83049E-03 ppm1 3.600 ppm2 1.843 CV 1
ASSI { 742}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.500 1.500 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.40824E-03 ppm1 3.602 ppm2 2.294 CV 1
ASSI { 743}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 57 and name HD2%)
2.700 2.700 3.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.31243E-02 ppm1 3.616 ppm2 -0.059 CV 1
ASSI { 746}
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 55 and name HB3 ))
3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 3.627 ppm2 1.885 CV 1
ASSI { 747}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 57 and name HB3 ))
4.400 2.400 1.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.48347E-03 ppm1 3.632 ppm2 1.059 CV 1
ASSI { 752}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 61 and name HD2%)
2.700 2.700 3.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.26763E-02 ppm1 3.661 ppm2 1.201 CV 1
ASSI { 753}
(( segid " " and resid 115 and name HD3 ))
(( segid " " and resid 115 and name HG3 ))
2.600 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26031E-02 ppm1 3.664 ppm2 2.071 CV 1
ASSI { 754}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 109 and name HB3 ))
3.400 1.500 1.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.69050E-03 ppm1 3.680 ppm2 1.135 CV 1
ASSI { 755}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 108 and name HB2 ))
3.300 3.300 2.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.23799E-02 ppm1 3.682 ppm2 2.834 CV 1
ASSI { 758}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 115 and name HA ))
2.400 0.800 0.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.37922E-02 ppm1 3.700 ppm2 4.737 CV 1
ASSI { 760}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 106 and name HG3 ))
3.100 1.200 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 3.707 ppm2 1.390 CV 1
ASSI { 761}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB ))
2.300 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.74885E-02 ppm1 3.708 ppm2 4.326 CV 1
ASSI { 763}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB2 ))
3.100 1.200 1.200 peak 763 spectrum 1 weight 0.10000E+01 volume 0.87950E-03 ppm1 3.742 ppm2 2.882 CV 1
ASSI { 767}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB3 ))
3.000 1.100 1.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 3.755 ppm2 2.586 CV 1
ASSI { 770}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 74 and name HA ))
3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.69255E-03 ppm1 3.760 ppm2 4.186 CV 1
ASSI { 771}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 48 and name HB3 ))
3.200 1.300 1.300 peak 771 spectrum 1 weight 0.10000E+01 volume 0.66593E-03 ppm1 3.764 ppm2 0.745 CV 1
ASSI { 780}
(( segid " " and resid 93 and name HD3 ))
(( segid " " and resid 93 and name HG3 ))
2.700 0.900 0.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.19444E-02 ppm1 3.810 ppm2 2.793 CV 1
ASSI { 781}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HG2 ))
2.400 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.38728E-02 ppm1 3.828 ppm2 1.968 CV 1
ASSI { 786}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 115 and name HA ))
2.500 0.800 0.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.49589E-02 ppm1 3.841 ppm2 4.735 CV 1
ASSI { 787}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 104 and name HB3 ))
3.400 1.500 1.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.67157E-03 ppm1 3.848 ppm2 1.002 CV 1
ASSI { 788}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB2 ))
2.800 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.34332E-02 ppm1 3.848 ppm2 2.067 CV 1
ASSI { 789}
(( segid " " and resid 96 and name HB2 ))
(( segid " " and resid 100 and name HA ))
3.900 1.900 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.52936E-03 ppm1 3.850 ppm2 3.463 CV 1
ASSI { 791}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HD3 ))
3.400 1.400 1.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 3.853 ppm2 3.369 CV 1
OR { 791}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HD2 ))
ASSI { 792}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB2 ))
2.600 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.41381E-02 ppm1 3.855 ppm2 3.665 CV 1
ASSI { 793}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 49 and name HG2%)
2.600 0.900 0.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.33494E-02 ppm1 3.861 ppm2 0.672 CV 1
ASSI { 794}
(( segid " " and resid 96 and name HB2 ))
(( segid " " and resid 93 and name HA ))
3.100 3.100 2.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.25662E-02 ppm1 3.864 ppm2 4.579 CV 1
ASSI { 796}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB ))
2.800 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.17459E-02 ppm1 3.873 ppm2 2.939 CV 1
ASSI { 797}
(( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 114 and name HA ))
2.500 2.500 3.500 peak 797 spectrum 1 weight 0.10000E+01 volume 0.42250E-02 ppm1 3.875 ppm2 4.636 CV 1
ASSI { 799}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB ))
2.400 0.700 0.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.61870E-02 ppm1 3.885 ppm2 3.571 CV 1
! ASSI { 804}
! (( segid " " and resid 35 and name HA ))
! (( segid " " and resid 33 and name HB ))
! 4.300 2.300 1.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.46681E-03 ppm1 3.934 ppm2 4.839 CV 1
ASSI { 805}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB3 ))
2.300 0.600 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.81654E-02 ppm1 3.935 ppm2 1.895 CV 1
OR { 805}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 808}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 84 and name HB2 ))
3.100 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 3.936 ppm2 2.776 CV 1
ASSI { 809}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 24 and name HB2 ))
3.000 1.100 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.48393E-02 ppm1 3.942 ppm2 2.012 CV 1
ASSI { 810}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG3 ))
2.800 1.000 1.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.34681E-02 ppm1 3.945 ppm2 2.217 CV 1
ASSI { 812}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 37 and name HD1%)
2.600 2.600 3.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.34214E-02 ppm1 3.955 ppm2 0.741 CV 1
ASSI { 813}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.600 0.900 0.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.22468E-02 ppm1 3.956 ppm2 1.670 CV 1
ASSI { 815}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 104 and name HD2%)
3.200 1.300 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 3.960 ppm2 1.050 CV 1
ASSI { 816}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HB ))
2.500 0.800 0.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.32775E-02 ppm1 3.964 ppm2 1.845 CV 1
ASSI { 818}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG3 ))
2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.50321E-02 ppm1 3.982 ppm2 2.290 CV 1
ASSI { 821}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG ))
3.100 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 3.990 ppm2 1.677 CV 1
ASSI { 822}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG2 ))
3.200 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.17067E-02 ppm1 4.006 ppm2 2.405 CV 1
ASSI { 824}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 100 and name HD1%)
2.200 0.600 0.600 peak 824 spectrum 1 weight 0.10000E+01 volume 0.76336E-02 ppm1 4.035 ppm2 0.814 CV 1
ASSI { 826}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG3 ))
3.100 1.200 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 4.038 ppm2 -0.307 CV 1
ASSI { 829}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG3 ))
2.900 1.100 1.100 peak 829 spectrum 1 weight 0.10000E+01 volume 0.21374E-02 ppm1 4.040 ppm2 1.362 CV 1
ASSI { 830}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG2 ))
2.800 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.22941E-02 ppm1 4.041 ppm2 1.608 CV 1
ASSI { 835}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG3 ))
2.900 1.100 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.16121E-02 ppm1 4.053 ppm2 1.087 CV 1
ASSI { 836}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB2 ))
2.700 0.900 0.900 peak 836 spectrum 1 weight 0.10000E+01 volume 0.44797E-02 ppm1 4.059 ppm2 1.940 CV 1
ASSI { 841}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HB3 ))
3.300 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.93356E-03 ppm1 4.070 ppm2 1.119 CV 1
ASSI { 845}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 49 and name HG2%)
3.000 3.000 3.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.18067E-02 ppm1 4.074 ppm2 0.676 CV 1
ASSI { 846}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 49 and name HG13))
4.000 2.000 2.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.42144E-03 ppm1 4.076 ppm2 0.529 CV 1
ASSI { 849}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG2 ))
3.300 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 4.082 ppm2 2.720 CV 1
ASSI { 851}
(( segid " " and resid 93 and name HD2 ))
(( segid " " and resid 93 and name HB2 ))
3.000 1.200 1.200 peak 851 spectrum 1 weight 0.10000E+01 volume 0.16572E-02 ppm1 4.096 ppm2 2.567 CV 1
ASSI { 856}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HG2%)
3.200 1.300 1.300 peak 856 spectrum 1 weight 0.10000E+01 volume 0.11529E-02 ppm1 4.099 ppm2 1.476 CV 1
ASSI { 861}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HG2 ))
2.700 0.900 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.33569E-02 ppm1 4.185 ppm2 2.617 CV 1
OR { 861}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HG3 ))
ASSI { 864}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.500 0.800 0.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.40061E-02 ppm1 4.213 ppm2 2.012 CV 1
ASSI { 866}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 72 and name HD2 ))
2.800 1.000 1.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.21135E-02 ppm1 4.216 ppm2 3.367 CV 1
OR { 866}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 72 and name HD3 ))
ASSI { 870}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 68 and name HG2 ))
3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.86001E-03 ppm1 4.231 ppm2 2.886 CV 1
ASSI { 873}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HD1%)
2.900 1.100 1.100 peak 873 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 4.264 ppm2 0.973 CV 1
ASSI { 876}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HD2%)
2.300 0.600 0.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.97419E-02 ppm1 4.268 ppm2 -0.059 CV 1
ASSI { 879}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HG3 ))
3.100 1.200 1.200 peak 879 spectrum 1 weight 0.10000E+01 volume 0.21091E-02 ppm1 4.270 ppm2 2.466 CV 1
ASSI { 884}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 41 and name HA ))
2.900 1.100 1.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.15289E-02 ppm1 4.282 ppm2 4.694 CV 1
ASSI { 892}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB3 ))
2.900 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.28383E-02 ppm1 4.322 ppm2 1.795 CV 1
ASSI { 894}
(( segid " " and resid 119 and name HA ))
( segid " " and resid 119 and name HD2%)
2.400 0.700 0.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.67621E-02 ppm1 4.322 ppm2 0.872 CV 1
ASSI { 897}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 76 and name HA1 ))
2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.33678E-02 ppm1 4.326 ppm2 3.928 CV 1
ASSI { 904}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 65 and name HG3 ))
3.900 1.900 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.59569E-03 ppm1 4.405 ppm2 -0.308 CV 1
ASSI { 905}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 65 and name HG2 ))
3.000 1.100 1.100 peak 905 spectrum 1 weight 0.10000E+01 volume 0.95040E-03 ppm1 4.405 ppm2 1.370 CV 1
ASSI { 907}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 86 and name HG2%)
3.400 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.86624E-03 ppm1 4.423 ppm2 1.768 CV 1
ASSI { 912}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 100 and name HG13))
4.300 2.300 1.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.30952E-03 ppm1 4.431 ppm2 -0.222 CV 1
ASSI { 915}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 48 and name HD2%)
3.600 1.600 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.82909E-03 ppm1 4.461 ppm2 0.818 CV 1
ASSI { 916}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 75 and name HA ))
3.800 1.800 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.75352E-03 ppm1 4.463 ppm2 3.772 CV 1
ASSI { 919}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HG13))
3.600 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.36919E-03 ppm1 4.471 ppm2 0.528 CV 1
ASSI { 922}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 90 and name HG2%)
2.000 2.000 4.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.16296E-01 ppm1 4.473 ppm2 1.593 CV 1
ASSI { 923}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HG3 ))
3.400 1.400 1.400 peak 923 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 4.478 ppm2 2.094 CV 1
OR { 923}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HG2 ))
ASSI { 927}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 93 and name HD2 ))
2.800 1.000 1.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.26303E-02 ppm1 4.483 ppm2 4.106 CV 1
ASSI { 938}
(( segid " " and resid 101 and name HA ))
( segid " " and resid 101 and name HG2%)
2.300 0.700 0.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.65799E-02 ppm1 4.553 ppm2 0.690 CV 1
ASSI { 939}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HD3 ))
2.700 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 4.554 ppm2 1.900 CV 1
ASSI { 940}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 61 and name HD1%)
3.700 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.44915E-03 ppm1 4.554 ppm2 1.286 CV 1
ASSI { 947}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB2 ))
2.900 1.000 1.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 4.574 ppm2 1.697 CV 1
ASSI { 948}
(( segid " " and resid 104 and name HA ))
( segid " " and resid 104 and name HD2%)
2.500 2.500 3.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.72313E-02 ppm1 4.575 ppm2 1.050 CV 1
ASSI { 949}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB3 ))
2.900 1.100 1.100 peak 949 spectrum 1 weight 0.10000E+01 volume 0.23628E-02 ppm1 4.576 ppm2 1.002 CV 1
ASSI { 950}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HG ))
3.500 1.500 1.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.66145E-03 ppm1 4.577 ppm2 1.826 CV 1
ASSI { 951}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 105 and name HB3 ))
4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.13260E-02 ppm1 4.578 ppm2 2.588 CV 1
ASSI { 952}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG2%)
2.300 0.600 0.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.72142E-02 ppm1 4.581 ppm2 1.207 CV 1
ASSI { 954}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 105 and name HB2 ))
2.900 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 4.585 ppm2 2.889 CV 1
ASSI { 955}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 114 and name HB3 ))
3.200 1.300 1.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 4.633 ppm2 1.740 CV 1
OR { 955}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 114 and name HB2 ))
ASSI { 956}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 115 and name HD3 ))
2.600 0.800 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.38822E-02 ppm1 4.633 ppm2 3.656 CV 1
ASSI { 958}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 113 and name HB3 ))
3.000 1.100 1.100 peak 958 spectrum 1 weight 0.10000E+01 volume 0.21269E-02 ppm1 4.650 ppm2 2.754 CV 1
ASSI { 959}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 113 and name HB2 ))
2.900 1.000 1.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 4.657 ppm2 2.854 CV 1
ASSI { 965}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 76 and name HA1 ))
3.700 1.700 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.59273E-03 ppm1 4.688 ppm2 3.931 CV 1
ASSI { 970}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 103 and name HB3 ))
4.600 2.600 1.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.44732E-03 ppm1 4.733 ppm2 1.730 CV 1
ASSI { 971}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 54 and name HG1%)
3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 4.734 ppm2 0.564 CV 1
ASSI { 972}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.19220E-02 ppm1 4.739 ppm2 1.369 CV 1
ASSI { 974}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB2 ))
3.100 1.200 1.200 peak 974 spectrum 1 weight 0.10000E+01 volume 0.13458E-02 ppm1 4.746 ppm2 2.117 CV 1
ASSI { 981}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB2 ))
2.800 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.31480E-02 ppm1 4.759 ppm2 2.379 CV 1
ASSI { 982}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 49 and name HG13))
4.100 2.100 1.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.44405E-03 ppm1 4.764 ppm2 0.529 CV 1
ASSI { 983}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 49 and name HB ))
2.400 0.700 0.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.49268E-02 ppm1 4.768 ppm2 1.394 CV 1
ASSI { 984}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 49 and name HD1%)
3.200 3.200 2.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.16572E-02 ppm1 4.770 ppm2 0.750 CV 1
ASSI { 987}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 68 and name HA ))
3.600 1.600 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.85272E-03 ppm1 4.773 ppm2 5.792 CV 1
ASSI { 992}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.700 0.900 0.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 4.866 ppm2 2.508 CV 1
ASSI { 1000}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 101 and name HD1%)
3.700 1.700 1.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.67804E-03 ppm1 4.978 ppm2 -1.162 CV 1
ASSI { 1003}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HG13))
3.000 1.100 1.100 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.13081E-02 ppm1 4.987 ppm2 0.529 CV 1
ASSI { 1005}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB ))
3.200 1.300 1.300 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.84668E-03 ppm1 4.988 ppm2 1.395 CV 1
ASSI { 1008}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 49 and name HD1%)
3.600 1.600 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.10770E-02 ppm1 5.002 ppm2 0.745 CV 1
ASSI { 1013}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HB2 ))
2.600 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.22171E-02 ppm1 5.112 ppm2 2.169 CV 1
ASSI { 1019}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 62 and name HG3 ))
3.600 1.700 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.69779E-03 ppm1 5.158 ppm2 2.587 CV 1
ASSI { 1021}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HB2 ))
3.000 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 5.162 ppm2 2.509 CV 1
ASSI { 1024}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HG2 ))
3.200 1.300 1.300 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.11457E-02 ppm1 5.423 ppm2 3.028 CV 1
ASSI { 1025}
(( segid " " and resid 67 and name HA1 ))
( segid " " and resid 70 and name HG2%)
4.200 2.200 1.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.45115E-03 ppm1 5.650 ppm2 1.479 CV 1
ASSI { 1026}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 105 and name HA ))
4.500 2.500 1.500 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.40033E-03 ppm1 5.690 ppm2 3.757 CV 1
ASSI { 1029}
(( segid " " and resid 47 and name HH2 ))
(( segid " " and resid 37 and name HG13))
4.500 2.600 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.38694E-03 ppm1 5.761 ppm2 0.954 CV 1
ASSI { 1030}
(( segid " " and resid 47 and name HH2 ))
( segid " " and resid 101 and name HD1%)
3.700 1.800 1.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.41310E-03 ppm1 5.762 ppm2 -1.158 CV 1
ASSI { 1031}
(( segid " " and resid 47 and name HH2 ))
(( segid " " and resid 32 and name HB2 ))
4.300 2.300 1.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.47596E-03 ppm1 5.763 ppm2 3.139 CV 1
ASSI { 1032}
(( segid " " and resid 47 and name HH2 ))
(( segid " " and resid 37 and name HA ))
2.600 2.600 3.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.88710E-03 ppm1 5.764 ppm2 3.625 CV 1
ASSI { 1035}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB3 ))
2.700 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.37140E-02 ppm1 5.775 ppm2 2.781 CV 1
ASSI { 1036}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HG2 ))
2.900 1.000 1.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 5.775 ppm2 2.881 CV 1
ASSI { 1037}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB2 ))
2.400 0.700 0.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.40737E-02 ppm1 5.776 ppm2 2.879 CV 1
ASSI { 1043}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 54 and name HG2%)
4.200 2.200 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.32081E-03 ppm1 6.159 ppm2 0.059 CV 1
ASSI { 1047}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 53 and name HB2 ))
2.300 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.40186E-02 ppm1 6.475 ppm2 2.119 CV 1
ASSI { 1048}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 53 and name HB3 ))
2.900 1.000 1.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.24799E-02 ppm1 6.475 ppm2 1.369 CV 1
ASSI { 1049}
( segid " " and resid 55 and name HE% )
( segid " " and resid 100 and name HD1%)
2.900 2.900 3.100 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.25736E-02 ppm1 6.477 ppm2 0.813 CV 1
ASSI { 1051}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 96 and name HB3 ))
4.000 2.000 2.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.16588E-02 ppm1 6.478 ppm2 3.545 CV 1
ASSI { 1053}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 50 and name HG ))
3.300 1.400 1.400 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.16907E-02 ppm1 6.481 ppm2 -1.944 CV 1
ASSI { 1054}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 100 and name HG12))
2.700 2.700 3.300 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.18683E-02 ppm1 6.481 ppm2 1.315 CV 1
ASSI { 1055}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 100 and name HG13))
2.800 2.800 3.200 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 6.484 ppm2 -0.223 CV 1
ASSI { 1056}
( segid " " and resid 55 and name HE% )
( segid " " and resid 50 and name HD2%)
4.000 2.000 2.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.67151E-03 ppm1 6.486 ppm2 -0.764 CV 1
ASSI { 1059}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 102 and name HA1 ))
4.100 2.100 1.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.15856E-02 ppm1 6.516 ppm2 4.396 CV 1
ASSI { 1061}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 101 and name HB ))
3.200 1.300 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.93717E-03 ppm1 6.520 ppm2 1.770 CV 1
ASSI { 1062}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 101 and name HG13))
3.400 1.500 1.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.51896E-03 ppm1 6.522 ppm2 -0.079 CV 1
ASSI { 1063}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 101 and name HG12))
3.900 1.900 1.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.87555E-03 ppm1 6.525 ppm2 0.172 CV 1
ASSI { 1064}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 32 and name HB3 ))
4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.47157E-03 ppm1 6.532 ppm2 2.424 CV 1
ASSI { 1065}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 30 and name HB3 ))
3.200 1.300 1.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.90289E-03 ppm1 6.538 ppm2 1.605 CV 1
OR { 1065}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 30 and name HB2 ))
ASSI { 1066}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 32 and name HB2 ))
4.200 2.200 1.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.45778E-03 ppm1 6.544 ppm2 3.143 CV 1
ASSI { 1069}
(( segid " " and resid 47 and name HE3 ))
(( segid " " and resid 37 and name HG12))
3.100 1.200 1.200 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.82386E-03 ppm1 6.565 ppm2 2.048 CV 1
ASSI { 1070}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 100 and name HA ))
3.100 1.200 1.200 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 6.568 ppm2 3.466 CV 1
ASSI { 1072}
(( segid " " and resid 47 and name HE3 ))
(( segid " " and resid 37 and name HG13))
3.900 1.900 1.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 6.575 ppm2 0.956 CV 1
ASSI { 1073}
(( segid " " and resid 47 and name HE3 ))
( segid " " and resid 37 and name HG2%)
2.500 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.30940E-02 ppm1 6.582 ppm2 0.738 CV 1
ASSI { 1075}
(( segid " " and resid 47 and name HE3 ))
(( segid " " and resid 37 and name HA ))
2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.26336E-02 ppm1 6.583 ppm2 3.624 CV 1
ASSI { 1076}
( segid " " and resid 31 and name HE% )
( segid " " and resid 29 and name HG2%)
2.400 2.400 3.600 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.12619E-02 ppm1 6.586 ppm2 0.353 CV 1
ASSI { 1079}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 106 and name HD2 ))
4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.66363E-03 ppm1 6.589 ppm2 2.268 CV 1
ASSI { 1080}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 31 and name HA ))
3.900 1.900 1.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.88165E-03 ppm1 6.590 ppm2 5.691 CV 1
ASSI { 1081}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 48 and name HG ))
3.300 1.300 1.300 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.81078E-03 ppm1 6.591 ppm2 -0.451 CV 1
ASSI { 1082}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 105 and name HA ))
4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.42742E-03 ppm1 6.591 ppm2 3.758 CV 1
ASSI { 1083}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 106 and name HD3 ))
3.700 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.45934E-03 ppm1 6.594 ppm2 1.563 CV 1
ASSI { 1084}
(( segid " " and resid 47 and name HE3 ))
(( segid " " and resid 47 and name HB3 ))
3.300 1.300 1.300 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.77261E-03 ppm1 6.596 ppm2 2.732 CV 1
ASSI { 1088}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 99 and name HB2 ))
2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.23587E-02 ppm1 6.596 ppm2 3.628 CV 1
ASSI { 1090}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 103 and name HB3 ))
3.200 1.300 1.300 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 6.599 ppm2 1.727 CV 1
ASSI { 1091}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 99 and name HA ))
4.500 2.500 1.500 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.42929E-03 ppm1 6.604 ppm2 4.780 CV 1
ASSI { 1093}
(( segid " " and resid 47 and name HZ2 ))
(( segid " " and resid 40 and name HB2 ))
3.800 3.800 2.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.33974E-03 ppm1 6.624 ppm2 2.308 CV 1
ASSI { 1096}
(( segid " " and resid 47 and name HD1 ))
(( segid " " and resid 56 and name HB3 ))
4.100 2.100 1.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.64831E-03 ppm1 6.727 ppm2 1.800 CV 1
ASSI { 1097}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 103 and name HB2 ))
4.200 2.200 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.96289E-03 ppm1 6.827 ppm2 2.168 CV 1
ASSI { 1100}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 40 and name HB2 ))
3.300 1.400 1.400 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.62402E-03 ppm1 6.832 ppm2 2.303 CV 1
ASSI { 1102}
( segid " " and resid 99 and name HE% )
(( segid " " and resid 98 and name HB ))
3.500 1.500 1.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.58666E-03 ppm1 6.839 ppm2 3.573 CV 1
ASSI { 1103}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 106 and name HD3 ))
3.500 1.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.48932E-03 ppm1 6.841 ppm2 1.564 CV 1
ASSI { 1104}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.21801E-02 ppm1 6.843 ppm2 3.624 CV 1
ASSI { 1105}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 106 and name HD2 ))
4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.71874E-03 ppm1 6.844 ppm2 2.268 CV 1
ASSI { 1106}
(( segid " " and resid 40 and name HD1 ))
(( segid " " and resid 40 and name HB3 ))
4.000 2.000 2.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.51713E-03 ppm1 6.847 ppm2 1.853 CV 1
ASSI { 1110}
( segid " " and resid 32 and name HD% )
( segid " " and resid 101 and name HD1%)
3.500 1.600 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.63458E-03 ppm1 6.853 ppm2 -1.162 CV 1
ASSI { 1111}
( segid " " and resid 99 and name HE% )
(( segid " " and resid 96 and name HA ))
3.600 1.600 1.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.10075E-02 ppm1 6.860 ppm2 3.897 CV 1
ASSI { 1112}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 36 and name HG2 ))
3.000 1.100 1.100 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.12891E-02 ppm1 6.863 ppm2 2.715 CV 1
ASSI { 1113}
( segid " " and resid 32 and name HD% )
( segid " " and resid 54 and name HG2%)
3.300 3.300 2.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.10121E-02 ppm1 6.864 ppm2 0.061 CV 1
ASSI { 1115}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 102 and name HA1 ))
4.300 2.300 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.78927E-03 ppm1 6.866 ppm2 4.394 CV 1
ASSI { 1117}
( segid " " and resid 32 and name HD% )
( segid " " and resid 54 and name HG1%)
2.700 2.700 3.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.24209E-02 ppm1 6.870 ppm2 0.564 CV 1
ASSI { 1120}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.29813E-02 ppm1 6.874 ppm2 5.129 CV 1
ASSI { 1122}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 102 and name HA2 ))
3.600 1.700 1.700 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.43897E-03 ppm1 6.881 ppm2 4.049 CV 1
ASSI { 1123}
(( segid " " and resid 105 and name HD2 ))
(( segid " " and resid 105 and name HB3 ))
3.500 1.600 1.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.84930E-03 ppm1 6.960 ppm2 2.598 CV 1
ASSI { 1124}
(( segid " " and resid 105 and name HD2 ))
(( segid " " and resid 105 and name HB2 ))
3.500 1.500 1.500 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.57271E-03 ppm1 6.970 ppm2 2.874 CV 1
ASSI { 1125}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 50 and name HB2 ))
4.600 2.600 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.47332E-03 ppm1 6.975 ppm2 1.267 CV 1
ASSI { 1126}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 50 and name HB3 ))
3.200 1.300 1.300 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.73895E-03 ppm1 6.978 ppm2 0.208 CV 1
ASSI { 1129}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 50 and name HG ))
4.600 2.700 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.29680E-03 ppm1 6.990 ppm2 -1.953 CV 1
ASSI { 1130}
( segid " " and resid 99 and name HD% )
(( segid " " and resid 57 and name HA ))
3.400 1.400 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.57520E-03 ppm1 7.048 ppm2 4.282 CV 1
ASSI { 1131}
( segid " " and resid 99 and name HD% )
( segid " " and resid 57 and name HD2%)
2.300 2.300 3.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.20371E-02 ppm1 7.061 ppm2 -0.058 CV 1
ASSI { 1136}
( segid " " and resid 99 and name HD% )
(( segid " " and resid 96 and name HB3 ))
5.100 3.200 0.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.34634E-03 ppm1 7.066 ppm2 3.552 CV 1
ASSI { 1137}
( segid " " and resid 99 and name HD% )
(( segid " " and resid 98 and name HB ))
3.400 1.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.66718E-03 ppm1 7.066 ppm2 3.573 CV 1
ASSI { 1139}
(( segid " " and resid 99 and name HZ ))
(( segid " " and resid 60 and name HA ))
2.900 2.900 3.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.45759E-03 ppm1 7.167 ppm2 5.170 CV 1
ASSI { 1142}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 61 and name HA ))
3.700 1.700 1.700 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.44171E-03 ppm1 7.515 ppm2 4.774 CV 1
ASSI { 1143}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 57 and name HB3 ))
3.300 1.400 1.400 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.81891E-03 ppm1 7.526 ppm2 1.057 CV 1
ASSI { 1144}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 63 and name HG3 ))
3.500 1.600 1.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.74845E-03 ppm1 7.530 ppm2 2.665 CV 1
OR { 1144}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 63 and name HG2 ))
ASSI { 1147}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 57 and name HG ))
3.100 1.200 1.200 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.15469E-02 ppm1 7.532 ppm2 -0.473 CV 1
ASSI { 1149}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 57 and name HB2 ))
3.800 1.800 1.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.14973E-02 ppm1 7.534 ppm2 1.682 CV 1
ASSI { 1152}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 45 and name HB3 ))
3.300 1.400 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.95498E-03 ppm1 7.536 ppm2 3.283 CV 1
ASSI { 1153}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 63 and name HB2 ))
3.200 1.300 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.86409E-03 ppm1 7.538 ppm2 2.508 CV 1
ASSI { 1156}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 45 and name HB2 ))
3.400 1.500 1.500 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.76598E-03 ppm1 7.548 ppm2 3.893 CV 1
ASSI { 1157}
(( segid " " and resid 64 and name HHC ))
(( segid " " and resid 50 and name HG ))
3.300 3.300 2.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 8.525 ppm2 -1.943 CV 1
ASSI { 1158}
(( segid " " and resid 64 and name HHC ))
( segid " " and resid 57 and name HD2%)
2.400 2.400 3.600 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.14233E-02 ppm1 8.530 ppm2 -0.060 CV 1
ASSI { 1159}
(( segid " " and resid 64 and name HBB2))
(( segid " " and resid 50 and name HG ))
3.100 1.200 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 11.283 ppm2 -1.944 CV 1
ASSI { 1160}
(( segid " " and resid 64 and name HBB2))
( segid " " and resid 57 and name HD2%)
3.500 3.500 2.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.10215E-02 ppm1 11.288 ppm2 -0.054 CV 1
ASSI { 1161}
(( segid " " and resid 64 and name HBB2))
(( segid " " and resid 96 and name HB3 ))
4.200 2.200 1.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.44629E-03 ppm1 11.289 ppm2 3.548 CV 1
ASSI { 1162}
(( segid " " and resid 64 and name HBB2))
(( segid " " and resid 96 and name HA ))
3.800 3.800 2.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.61898E-03 ppm1 11.290 ppm2 3.896 CV 1
ASSI { 1163}
(( segid " " and resid 64 and name HBB2))
(( segid " " and resid 57 and name HG ))
3.100 3.100 2.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.31554E-03 ppm1 11.293 ppm2 -0.472 CV 1
ASSI { 1164}
(( segid " " and resid 64 and name HAB ))
(( segid " " and resid 55 and name HB3 ))
4.000 2.000 2.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.34410E-03 ppm1 11.452 ppm2 1.894 CV 1
ASSI { 1165}
(( segid " " and resid 64 and name HAB ))
(( segid " " and resid 50 and name HG ))
3.200 3.200 2.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.20462E-02 ppm1 11.460 ppm2 -1.944 CV 1
ASSI { 1166}
(( segid " " and resid 64 and name HAB ))
(( segid " " and resid 55 and name HB2 ))
4.300 2.400 1.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.29545E-03 ppm1 11.460 ppm2 2.096 CV 1
ASSI { 1167}
(( segid " " and resid 64 and name HAB ))
( segid " " and resid 57 and name HD2%)
2.600 0.900 0.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.30200E-02 ppm1 11.461 ppm2 -0.059 CV 1
ASSI { 1168}
(( segid " " and resid 64 and name HAB ))
(( segid " " and resid 57 and name HG ))
3.600 1.600 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.99870E-03 ppm1 11.465 ppm2 -0.473 CV 1
ASSI { 1169}
(( segid " " and resid 64 and name HAB ))
(( segid " " and resid 99 and name HB3 ))
4.100 2.100 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.26274E-03 ppm1 11.468 ppm2 2.565 CV 1
ASSI { 1170}
(( segid " " and resid 64 and name HAB ))
(( segid " " and resid 99 and name HB2 ))
4.300 2.300 1.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.23529E-03 ppm1 11.469 ppm2 3.628 CV 1
ASSI { 1171}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 96 and name HB3 ))
3.100 1.200 1.200 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.11535E-02 ppm1 11.585 ppm2 3.547 CV 1
ASSI { 1172}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 95 and name HB2 ))
4.100 2.100 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.68203E-03 ppm1 11.597 ppm2 2.460 CV 1
ASSI { 1173}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 96 and name HA ))
2.800 2.800 3.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.27762E-02 ppm1 11.598 ppm2 3.893 CV 1
ASSI { 1174}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 95 and name HG3 ))
3.200 1.300 1.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.15304E-02 ppm1 11.601 ppm2 2.618 CV 1
ASSI { 1175}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 92 and name HA ))
3.300 1.400 1.400 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.82644E-03 ppm1 11.602 ppm2 4.227 CV 1
ASSI { 1176}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 96 and name HB2 ))
3.500 3.500 2.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.16123E-02 ppm1 11.603 ppm2 3.853 CV 1
ASSI { 1177}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 95 and name HB3 ))
3.100 1.200 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.10619E-02 ppm1 11.608 ppm2 2.237 CV 1
ASSI { 3}
(( segid " " and resid 105 and name HA ))
( segid " " and resid 31 and name HD% )
3.300 1.400 1.400 peak 3 spectrum 2 weight 0.10000E+01 volume 0.21684E-02 ppm1 3.763 ppm2 6.840 CV 1
ASSI { 6}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 55 and name HE% )
3.500 1.500 1.500 peak 6 spectrum 2 weight 0.10000E+01 volume 0.21761E-02 ppm1 3.882 ppm2 6.480 CV 1
ASSI { 13}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 105 and name HD2 ))
2.800 2.800 3.200 peak 13 spectrum 2 weight 0.10000E+01 volume 0.32713E-02 ppm1 1.198 ppm2 6.969 CV 1
ASSI { 14}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 31 and name HD% )
3.400 1.400 1.400 peak 14 spectrum 2 weight 0.10000E+01 volume 0.22557E-02 ppm1 0.344 ppm2 6.840 CV 1
ASSI { 17}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HD% )
2.900 1.000 1.000 peak 17 spectrum 2 weight 0.10000E+01 volume 0.25889E-02 ppm1 2.636 ppm2 6.838 CV 1
ASSI { 18}
( segid " " and resid 31 and name HE% )
( segid " " and resid 31 and name HD% )
1.800 0.400 0.400 peak 18 spectrum 2 weight 0.10000E+01 volume 0.27667E-01 ppm1 6.593 ppm2 6.838 CV 1
ASSI { 20}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HE% )
3.600 1.600 1.600 peak 20 spectrum 2 weight 0.10000E+01 volume 0.13160E-02 ppm1 5.121 ppm2 6.523 CV 1
ASSI { 26}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HD2 ))
4.300 2.300 1.700 peak 26 spectrum 2 weight 0.10000E+01 volume 0.11271E-02 ppm1 5.131 ppm2 7.263 CV 1
ASSI { 27}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HD2 ))
3.300 1.300 1.300 peak 27 spectrum 2 weight 0.10000E+01 volume 0.33345E-02 ppm1 3.317 ppm2 7.261 CV 1
ASSI { 29}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 42 and name HE1 ))
4.400 2.400 1.600 peak 29 spectrum 2 weight 0.10000E+01 volume 0.13489E-02 ppm1 4.568 ppm2 7.544 CV 1
ASSI { 30}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 42 and name HE1 ))
2.200 0.600 0.600 peak 30 spectrum 2 weight 0.10000E+01 volume 0.66989E-02 ppm1 2.162 ppm2 7.537 CV 1
ASSI { 31}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 42 and name HE1 ))
2.700 0.900 0.900 peak 31 spectrum 2 weight 0.10000E+01 volume 0.10234E-01 ppm1 1.899 ppm2 7.538 CV 1
ASSI { 33}
(( segid " " and resid 47 and name HE3 ))
(( segid " " and resid 47 and name HH2 ))
3.600 1.700 1.700 peak 33 spectrum 2 weight 0.10000E+01 volume 0.16392E-02 ppm1 6.592 ppm2 5.760 CV 1
ASSI { 34}
(( segid " " and resid 47 and name HH2 ))
( segid " " and resid 32 and name HE% )
3.200 1.300 1.300 peak 34 spectrum 2 weight 0.10000E+01 volume 0.12642E-02 ppm1 5.746 ppm2 6.520 CV 1
ASSI { 36}
(( segid " " and resid 47 and name HH2 ))
(( segid " " and resid 47 and name HZ2 ))
3.500 1.600 1.600 peak 36 spectrum 2 weight 0.10000E+01 volume 0.84808E-03 ppm1 5.745 ppm2 6.622 CV 1
ASSI { 38}
(( segid " " and resid 47 and name HZ2 ))
(( segid " " and resid 47 and name HZ3 ))
3.000 1.200 1.200 peak 38 spectrum 2 weight 0.10000E+01 volume 0.71018E-02 ppm1 6.625 ppm2 6.375 CV 1
ASSI { 43}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HD2 ))
3.300 1.400 1.400 peak 43 spectrum 2 weight 0.10000E+01 volume 0.25678E-02 ppm1 3.126 ppm2 7.017 CV 1
ASSI { 44}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HD2 ))
2.800 1.000 1.000 peak 44 spectrum 2 weight 0.10000E+01 volume 0.36745E-02 ppm1 3.868 ppm2 6.853 CV 1
ASSI { 45}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 42 and name HE1 ))
3.000 1.100 1.100 peak 45 spectrum 2 weight 0.10000E+01 volume 0.19772E-02 ppm1 3.877 ppm2 7.541 CV 1
ASSI { 46}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HD2 ))
3.300 1.400 1.400 peak 46 spectrum 2 weight 0.10000E+01 volume 0.21343E-02 ppm1 3.673 ppm2 6.856 CV 1
ASSI { 47}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HD2 ))
3.200 1.300 1.300 peak 47 spectrum 2 weight 0.10000E+01 volume 0.15243E-02 ppm1 3.182 ppm2 6.854 CV 1
ASSI { 50}
( segid " " and resid 55 and name HD% )
( segid " " and resid 55 and name HE% )
1.900 0.500 0.500 peak 50 spectrum 2 weight 0.10000E+01 volume 0.13143E-01 ppm1 6.595 ppm2 6.481 CV 1
ASSI { 52}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 47 and name HD1 ))
3.300 1.400 1.400 peak 52 spectrum 2 weight 0.10000E+01 volume 0.10503E-02 ppm1 2.927 ppm2 6.714 CV 1
ASSI { 71}
(( segid " " and resid 102 and name HA2 ))
( segid " " and resid 32 and name HE% )
2.500 0.800 0.800 peak 71 spectrum 2 weight 0.10000E+01 volume 0.27176E-02 ppm1 4.032 ppm2 6.515 CV 1
ASSI { 72}
(( segid " " and resid 103 and name HB2 ))
( segid " " and resid 31 and name HE% )
3.200 1.300 1.300 peak 72 spectrum 2 weight 0.10000E+01 volume 0.41151E-02 ppm1 2.177 ppm2 6.591 CV 1
OR { 72}
(( segid " " and resid 103 and name HG3 ))
( segid " " and resid 31 and name HE% )
ASSI { 74}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 105 and name HD2 ))
2.700 0.900 0.900 peak 74 spectrum 2 weight 0.10000E+01 volume 0.50340E-02 ppm1 2.842 ppm2 6.969 CV 1
ASSI { 78}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 42 and name HE1 ))
3.100 1.200 1.200 peak 78 spectrum 2 weight 0.10000E+01 volume 0.17727E-02 ppm1 3.284 ppm2 7.548 CV 1
ASSI { 5}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 5 spectrum 3 weight 0.10000E+01 volume 0.85923E-02 ppm1 0.728 ppm2 3.607 CV 1
ASSI { 7}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB3 ))
2.400 0.700 0.700 peak 7 spectrum 3 weight 0.10000E+01 volume 0.60957E-02 ppm1 4.473 ppm2 0.730 CV 1
ASSI { 15}
(( segid " " and resid 119 and name HG ))
( segid " " and resid 119 and name HD1%)
2.200 0.600 0.600 peak 15 spectrum 3 weight 0.10000E+01 volume 0.13180E-01 ppm1 1.699 ppm2 0.943 CV 1
OR { 15}
(( segid " " and resid 119 and name HB2 ))
( segid " " and resid 119 and name HD1%)
OR { 15}
(( segid " " and resid 119 and name HB3 ))
( segid " " and resid 119 and name HD1%)
ASSI { 25}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 100 and name HB ))
2.400 2.400 3.600 peak 25 spectrum 3 weight 0.10000E+01 volume 0.24798E-01 ppm1 1.600 ppm2 1.446 CV 1
ASSI { 27}
( segid " " and resid 104 and name HD2%)
(( segid " " and resid 104 and name HG ))
2.300 0.700 0.700 peak 27 spectrum 3 weight 0.10000E+01 volume 0.68007E-02 ppm1 1.039 ppm2 1.810 CV 1
ASSI { 29}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HB ))
2.100 0.500 0.500 peak 29 spectrum 3 weight 0.10000E+01 volume 0.14315E-01 ppm1 0.728 ppm2 1.828 CV 1
OR { 29}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HB ))
ASSI { 40}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HB3 ))
2.200 0.600 0.600 peak 40 spectrum 3 weight 0.10000E+01 volume 0.48400E-02 ppm1 2.330 ppm2 1.969 CV 1
ASSI { 42}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HB2 ))
1.900 0.400 0.400 peak 42 spectrum 3 weight 0.10000E+01 volume 0.10733E-01 ppm1 1.852 ppm2 2.289 CV 1
ASSI { 46}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.400 0.700 0.700 peak 46 spectrum 3 weight 0.10000E+01 volume 0.68147E-02 ppm1 4.084 ppm2 2.396 CV 1
ASSI { 48}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB3 ))
2.800 1.000 1.000 peak 48 spectrum 3 weight 0.10000E+01 volume 0.54269E-02 ppm1 3.987 ppm2 1.999 CV 1
ASSI { 52}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 62 and name HG3 ))
2.700 2.700 3.300 peak 52 spectrum 3 weight 0.10000E+01 volume 0.24565E-01 ppm1 2.452 ppm2 2.555 CV 1
ASSI { 56}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 47 and name HD1 ))
2.000 0.500 0.500 peak 56 spectrum 3 weight 0.10000E+01 volume 0.15762E-01 ppm1 4.980 ppm2 6.721 CV 1
ASSI { 59}
(( segid " " and resid 93 and name HD3 ))
(( segid " " and resid 90 and name HA ))
2.200 0.600 0.600 peak 59 spectrum 3 weight 0.10000E+01 volume 0.10296E-01 ppm1 3.797 ppm2 4.466 CV 1
ASSI { 60}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HB3 ))
1.800 0.400 0.400 peak 60 spectrum 3 weight 0.10000E+01 volume 0.15603E-01 ppm1 3.040 ppm2 2.883 CV 1
ASSI { 64}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
1.900 0.400 0.400 peak 64 spectrum 3 weight 0.10000E+01 volume 0.97316E-02 ppm1 2.717 ppm2 2.982 CV 1
ASSI { 67}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 57 and name HA ))
2.400 0.700 0.700 peak 67 spectrum 3 weight 0.10000E+01 volume 0.49396E-02 ppm1 2.577 ppm2 4.274 CV 1
ASSI { 68}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 91 and name HA ))
2.500 0.800 0.800 peak 68 spectrum 3 weight 0.10000E+01 volume 0.10380E-01 ppm1 2.536 ppm2 4.501 CV 1
ASSI { 70}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 61 and name HA ))
2.900 1.000 1.000 peak 70 spectrum 3 weight 0.10000E+01 volume 0.45028E-02 ppm1 2.475 ppm2 4.762 CV 1
! ASSI { 72}
! (( segid " " and resid 71 and name HG ))
! (( segid " " and resid 68 and name HG3 ))
! 2.800 1.000 1.000 peak 72 spectrum 3 weight 0.10000E+01 volume 0.96248E-02 ppm1 2.461 ppm2 2.838 CV 1
! OR { 72}
! (( segid " " and resid 71 and name HG ))
! (( segid " " and resid 68 and name HB2 ))
ASSI { 75}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 94 and name HA ))
2.600 0.800 0.800 peak 75 spectrum 3 weight 0.10000E+01 volume 0.74471E-02 ppm1 2.320 ppm2 4.279 CV 1
ASSI { 78}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HB2 ))
1.800 0.400 0.400 peak 78 spectrum 3 weight 0.10000E+01 volume 0.20594E-01 ppm1 2.265 ppm2 2.701 CV 1
ASSI { 79}
(( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 103 and name HA ))
3.000 1.200 1.200 peak 79 spectrum 3 weight 0.10000E+01 volume 0.40724E-02 ppm1 2.249 ppm2 5.107 CV 1
ASSI { 89}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HA ))
2.300 0.700 0.700 peak 89 spectrum 3 weight 0.10000E+01 volume 0.89432E-02 ppm1 1.912 ppm2 3.986 CV 1
ASSI { 95}
(( segid " " and resid 119 and name HB3 ))
(( segid " " and resid 119 and name HA ))
2.500 0.800 0.800 peak 95 spectrum 3 weight 0.10000E+01 volume 0.67627E-02 ppm1 1.700 ppm2 4.311 CV 1
OR { 95}
(( segid " " and resid 119 and name HB2 ))
(( segid " " and resid 119 and name HA ))
OR { 95}
(( segid " " and resid 119 and name HG ))
(( segid " " and resid 119 and name HA ))
ASSI { 96}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
2.300 0.700 0.700 peak 96 spectrum 3 weight 0.10000E+01 volume 0.72279E-02 ppm1 1.662 ppm2 3.958 CV 1
OR { 96}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HA ))
ASSI { 97}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 53 and name HE3 ))
2.600 0.800 0.800 peak 97 spectrum 3 weight 0.10000E+01 volume 0.47139E-02 ppm1 1.635 ppm2 3.045 CV 1
OR { 97}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HE2 ))
OR { 97}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 53 and name HE2 ))
OR { 97}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HE3 ))
ASSI { 100}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HA ))
2.700 0.900 0.900 peak 100 spectrum 3 weight 0.10000E+01 volume 0.47684E-02 ppm1 1.536 ppm2 4.540 CV 1
ASSI { 104}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 59 and name HA ))
2.900 2.900 3.100 peak 104 spectrum 3 weight 0.10000E+01 volume 0.48431E-02 ppm1 1.342 ppm2 4.543 CV 1
ASSI { 105}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HA ))
2.500 0.800 0.800 peak 105 spectrum 3 weight 0.10000E+01 volume 0.64342E-02 ppm1 1.335 ppm2 4.031 CV 1
OR { 105}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HA ))
ASSI { 106}
(( segid " " and resid 49 and name HG12))
(( segid " " and resid 54 and name HA ))
2.200 0.600 0.600 peak 106 spectrum 3 weight 0.10000E+01 volume 0.81355E-02 ppm1 1.275 ppm2 4.063 CV 1
ASSI { 107}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HA ))
2.200 0.600 0.600 peak 107 spectrum 3 weight 0.10000E+01 volume 0.70339E-02 ppm1 1.206 ppm2 4.471 CV 1
ASSI { 112}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 83 and name HB2 ))
2.000 0.500 0.500 peak 112 spectrum 3 weight 0.10000E+01 volume 0.65974E-02 ppm1 0.984 ppm2 2.902 CV 1
ASSI { 113}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HA ))
2.300 0.600 0.600 peak 113 spectrum 3 weight 0.10000E+01 volume 0.80991E-02 ppm1 0.908 ppm2 3.958 CV 1
ASSI { 129}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 51 and name HB2 ))
2.600 0.800 0.800 peak 129 spectrum 3 weight 0.10000E+01 volume 0.59977E-02 ppm1 6.997 ppm2 3.110 CV 1
OR { 129}
(( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 133}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 49 and name HA ))
2.700 0.900 0.900 peak 133 spectrum 3 weight 0.10000E+01 volume 0.33964E-02 ppm1 6.599 ppm2 4.979 CV 1
ASSI { 134}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 55 and name HA ))
2.700 0.900 0.900 peak 134 spectrum 3 weight 0.10000E+01 volume 0.47101E-02 ppm1 6.600 ppm2 4.422 CV 1
ASSI { 135}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 54 and name HA ))
2.600 0.800 0.800 peak 135 spectrum 3 weight 0.10000E+01 volume 0.40429E-02 ppm1 6.601 ppm2 4.071 CV 1
ASSI { 136}
(( segid " " and resid 67 and name HA2 ))
(( segid " " and resid 67 and name HA1 ))
1.800 0.400 0.400 peak 136 spectrum 3 weight 0.10000E+01 volume 0.16999E-01 ppm1 5.974 ppm2 5.624 CV 1
ASSI { 138}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 53 and name HA ))
2.000 0.500 0.500 peak 138 spectrum 3 weight 0.10000E+01 volume 0.10854E-01 ppm1 5.108 ppm2 4.735 CV 1
ASSI { 142}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
2.700 0.900 0.900 peak 142 spectrum 3 weight 0.10000E+01 volume 0.43352E-02 ppm1 4.718 ppm2 3.268 CV 1
ASSI { 146}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 80 and name HB ))
2.500 0.800 0.800 peak 146 spectrum 3 weight 0.10000E+01 volume 0.39594E-02 ppm1 4.394 ppm2 2.922 CV 1
ASSI { 148}
(( segid " " and resid 102 and name HA2 ))
(( segid " " and resid 102 and name HA1 ))
1.900 0.400 0.400 peak 148 spectrum 3 weight 0.10000E+01 volume 0.11534E-01 ppm1 4.042 ppm2 4.377 CV 1
ASSI { 151}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
2.700 0.900 0.900 peak 151 spectrum 3 weight 0.10000E+01 volume 0.51510E-02 ppm1 1.503 ppm2 3.958 CV 1
ASSI { 152}
(( segid " " and resid 99 and name HZ ))
( segid " " and resid 60 and name HD% )
2.400 0.700 0.700 peak 152 spectrum 3 weight 0.10000E+01 volume 0.58986E-02 ppm1 7.179 ppm2 7.531 CV 1
ASSI { 153}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 61 and name HG ))
2.500 0.800 0.800 peak 153 spectrum 3 weight 0.10000E+01 volume 0.45358E-02 ppm1 3.709 ppm2 2.467 CV 1
ASSI { 156}
(( segid " " and resid 93 and name HD2 ))
(( segid " " and resid 90 and name HA ))
2.600 0.900 0.900 peak 156 spectrum 3 weight 0.10000E+01 volume 0.52603E-02 ppm1 4.093 ppm2 4.466 CV 1
OR { 156}
(( segid " " and resid 93 and name HD2 ))
(( segid " " and resid 90 and name HB ))
ASSI { 161}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 55 and name HE% )
3.100 1.200 1.200 peak 161 spectrum 3 weight 0.10000E+01 volume 0.58080E-02 ppm1 0.193 ppm2 6.467 CV 1
ASSI { 162}
(( segid " " and resid 93 and name HG3 ))
(( segid " " and resid 93 and name HA ))
2.900 1.000 1.000 peak 162 spectrum 3 weight 0.10000E+01 volume 0.45376E-02 ppm1 2.788 ppm2 4.564 CV 1
ASSI { 164}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HA ))
2.200 0.600 0.600 peak 164 spectrum 3 weight 0.10000E+01 volume 0.10770E-01 ppm1 2.365 ppm2 4.225 CV 1
ASSI { 173}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 61 and name HD1%)
3.000 1.100 1.100 peak 173 spectrum 3 weight 0.10000E+01 volume 0.43038E-02 ppm1 3.632 ppm2 1.274 CV 1
ASSI { 175}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB ))
2.600 0.800 0.800 peak 175 spectrum 3 weight 0.10000E+01 volume 0.33706E-02 ppm1 4.071 ppm2 1.039 CV 1
ASSI { 182}
( segid " " and resid 101 and name HD1%)
( segid " " and resid 32 and name HE% )
2.700 2.700 3.300 peak 182 spectrum 3 weight 0.10000E+01 volume 0.42188E-02 ppm1 -1.170 ppm2 6.511 CV 1
ASSI { 187}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 96 and name HA ))
3.100 3.100 2.900 peak 187 spectrum 3 weight 0.10000E+01 volume 0.31769E-02 ppm1 11.594 ppm2 3.876 CV 1
OR { 187}
(( segid " " and resid 64 and name HHB ))
(( segid " " and resid 96 and name HB2 ))
ASSI { 194}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HB3 ))
1.700 0.400 0.500 peak 194 spectrum 3 weight 0.10000E+01 volume 0.26642E-01 ppm1 1.596 ppm2 1.351 CV 1
OR { 194}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HG3 ))
OR { 194}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HG3 ))
OR { 194}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HG3 ))
OR { 194}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HG3 ))
OR { 194}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HB3 ))
ASSI { 195}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 64 and name HHA ))
3.400 1.400 1.400 peak 195 spectrum 3 weight 0.10000E+01 volume 0.47269E-02 ppm1 -3.207 ppm2 1.890 CV 1
ASSI { 199}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG2%)
2.600 0.800 0.800 peak 199 spectrum 3 weight 0.10000E+01 volume 0.52675E-02 ppm1 3.757 ppm2 0.337 CV 1
ASSI { 212}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HD% )
2.200 0.600 0.600 peak 212 spectrum 3 weight 0.10000E+01 volume 0.94875E-02 ppm1 5.676 ppm2 6.833 CV 1
ASSI { 213}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 31 and name HD% )
2.300 0.700 0.700 peak 213 spectrum 3 weight 0.10000E+01 volume 0.58516E-02 ppm1 2.839 ppm2 6.835 CV 1
ASSI { 220}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 32 and name HD% )
2.400 0.700 0.700 peak 220 spectrum 3 weight 0.10000E+01 volume 0.65777E-02 ppm1 3.135 ppm2 6.867 CV 1
ASSI { 222}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 32 and name HD% )
2.200 0.600 0.600 peak 222 spectrum 3 weight 0.10000E+01 volume 0.74680E-02 ppm1 2.407 ppm2 6.867 CV 1
ASSI { 224}
( segid " " and resid 32 and name HD% )
( segid " " and resid 32 and name HE% )
1.800 0.400 0.400 peak 224 spectrum 3 weight 0.10000E+01 volume 0.26525E-01 ppm1 6.869 ppm2 6.512 CV 1
ASSI { 226}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB ))
2.000 0.500 0.500 peak 226 spectrum 3 weight 0.10000E+01 volume 0.14333E-01 ppm1 4.580 ppm2 4.826 CV 1
ASSI { 241}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HG2%)
2.500 0.800 0.800 peak 241 spectrum 3 weight 0.10000E+01 volume 0.79674E-02 ppm1 3.614 ppm2 0.725 CV 1
OR { 241}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HD1%)
ASSI { 243}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HG12))
2.200 0.600 0.600 peak 243 spectrum 3 weight 0.10000E+01 volume 0.86247E-02 ppm1 0.728 ppm2 2.036 CV 1
OR { 243}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HG12))
ASSI { 248}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 37 and name HG12))
1.900 0.400 0.400 peak 248 spectrum 3 weight 0.10000E+01 volume 0.73627E-02 ppm1 0.933 ppm2 2.038 CV 1
ASSI { 260}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HA ))
2.200 0.600 0.600 peak 260 spectrum 3 weight 0.10000E+01 volume 0.96915E-02 ppm1 2.255 ppm2 4.677 CV 1
ASSI { 261}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HB3 ))
1.800 0.400 0.400 peak 261 spectrum 3 weight 0.10000E+01 volume 0.15367E-01 ppm1 2.255 ppm2 2.969 CV 1
ASSI { 266}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HA ))
2.300 0.700 0.700 peak 266 spectrum 3 weight 0.10000E+01 volume 0.10749E-01 ppm1 3.308 ppm2 5.102 CV 1
ASSI { 267}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HA ))
2.200 0.600 0.600 peak 267 spectrum 3 weight 0.10000E+01 volume 0.10674E-01 ppm1 2.970 ppm2 5.102 CV 1
ASSI { 268}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HD2 ))
2.500 0.800 0.800 peak 268 spectrum 3 weight 0.10000E+01 volume 0.47886E-02 ppm1 2.970 ppm2 7.245 CV 1
ASSI { 282}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
2.400 0.700 0.700 peak 282 spectrum 3 weight 0.10000E+01 volume 0.66936E-02 ppm1 4.720 ppm2 3.881 CV 1
ASSI { 284}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HB3 ))
1.700 0.400 0.500 peak 284 spectrum 3 weight 0.10000E+01 volume 0.18765E-01 ppm1 3.884 ppm2 3.269 CV 1
ASSI { 288}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HG2%)
2.200 0.600 0.600 peak 288 spectrum 3 weight 0.10000E+01 volume 0.12507E-01 ppm1 4.268 ppm2 0.804 CV 1
ASSI { 290}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HA ))
2.400 0.700 0.700 peak 290 spectrum 3 weight 0.10000E+01 volume 0.79546E-02 ppm1 3.632 ppm2 4.265 CV 1
ASSI { 295}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HD1 ))
2.100 0.600 0.600 peak 295 spectrum 3 weight 0.10000E+01 volume 0.10747E-01 ppm1 6.155 ppm2 6.721 CV 1
ASSI { 296}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 56 and name HA ))
2.400 0.700 0.700 peak 296 spectrum 3 weight 0.10000E+01 volume 0.71345E-02 ppm1 6.156 ppm2 4.976 CV 1
ASSI { 303}
(( segid " " and resid 47 and name HH2 ))
(( segid " " and resid 47 and name HZ3 ))
2.300 0.700 0.700 peak 303 spectrum 3 weight 0.10000E+01 volume 0.78989E-02 ppm1 5.755 ppm2 6.362 CV 1
ASSI { 308}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 48 and name HD1%)
2.400 0.700 0.700 peak 308 spectrum 3 weight 0.10000E+01 volume 0.57246E-02 ppm1 1.205 ppm2 -0.618 CV 1
ASSI { 310}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 48 and name HD2%)
2.300 0.700 0.700 peak 310 spectrum 3 weight 0.10000E+01 volume 0.71983E-02 ppm1 -0.614 ppm2 0.805 CV 1
ASSI { 311}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 48 and name HG ))
2.200 2.200 3.800 peak 311 spectrum 3 weight 0.10000E+01 volume 0.84625E-02 ppm1 -0.611 ppm2 -0.473 CV 1
ASSI { 317}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 54 and name HA ))
2.200 0.600 0.600 peak 317 spectrum 3 weight 0.10000E+01 volume 0.67375E-02 ppm1 4.982 ppm2 4.071 CV 1
ASSI { 322}
( segid " " and resid 49 and name HD1%)
( segid " " and resid 49 and name HG2%)
2.200 2.200 3.800 peak 322 spectrum 3 weight 0.10000E+01 volume 0.15995E-01 ppm1 0.726 ppm2 0.655 CV 1
ASSI { 324}
(( segid " " and resid 49 and name HG12))
(( segid " " and resid 49 and name HG13))
1.800 0.400 0.400 peak 324 spectrum 3 weight 0.10000E+01 volume 0.85182E-02 ppm1 1.271 ppm2 0.516 CV 1
ASSI { 331}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HA ))
2.800 0.900 0.900 peak 331 spectrum 3 weight 0.10000E+01 volume 0.37206E-02 ppm1 1.263 ppm2 4.390 CV 1
ASSI { 350}
(( segid " " and resid 50 and name HG ))
( segid " " and resid 50 and name HD2%)
2.100 0.500 0.500 peak 350 spectrum 3 weight 0.10000E+01 volume 0.13125E-01 ppm1 -1.956 ppm2 -0.776 CV 1
ASSI { 354}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HB3 ))
1.900 0.500 0.500 peak 354 spectrum 3 weight 0.10000E+01 volume 0.12977E-01 ppm1 3.654 ppm2 3.197 CV 1
ASSI { 372}
( segid " " and resid 54 and name HG2%)
( segid " " and resid 37 and name HD1%)
2.300 2.300 3.700 peak 372 spectrum 3 weight 0.10000E+01 volume 0.81296E-02 ppm1 0.049 ppm2 0.724 CV 1
OR { 372}
( segid " " and resid 54 and name HG2%)
( segid " " and resid 37 and name HG2%)
ASSI { 382}
(( segid " " and resid 55 and name HB2 ))
( segid " " and resid 55 and name HD% )
2.200 0.600 0.600 peak 382 spectrum 3 weight 0.10000E+01 volume 0.10758E-01 ppm1 2.083 ppm2 6.596 CV 1
ASSI { 387}
(( segid " " and resid 55 and name HB3 ))
( segid " " and resid 55 and name HD% )
2.000 0.500 0.500 peak 387 spectrum 3 weight 0.10000E+01 volume 0.10704E-01 ppm1 1.878 ppm2 6.596 CV 1
ASSI { 394}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 99 and name HB3 ))
2.400 0.700 0.700 peak 394 spectrum 3 weight 0.10000E+01 volume 0.81134E-02 ppm1 6.599 ppm2 2.548 CV 1
ASSI { 395}
( segid " " and resid 55 and name HD% )
( segid " " and resid 99 and name HD% )
3.300 1.400 1.400 peak 395 spectrum 3 weight 0.10000E+01 volume 0.42879E-02 ppm1 6.601 ppm2 7.059 CV 1
ASSI { 396}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 50 and name HB2 ))
2.000 0.500 0.500 peak 396 spectrum 3 weight 0.10000E+01 volume 0.80586E-02 ppm1 6.470 ppm2 1.264 CV 1
ASSI { 401}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HB3 ))
1.800 0.400 0.400 peak 401 spectrum 3 weight 0.10000E+01 volume 0.12959E-01 ppm1 2.912 ppm2 1.789 CV 1
ASSI { 409}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HG ))
2.400 0.700 0.700 peak 409 spectrum 3 weight 0.10000E+01 volume 0.45822E-02 ppm1 1.662 ppm2 -0.489 CV 1
ASSI { 411}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HB2 ))
1.600 0.300 0.600 peak 411 spectrum 3 weight 0.10000E+01 volume 0.17804E-01 ppm1 1.041 ppm2 1.661 CV 1
ASSI { 417}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 57 and name HB3 ))
3.100 1.200 1.200 peak 417 spectrum 3 weight 0.10000E+01 volume 0.34964E-02 ppm1 -0.073 ppm2 1.040 CV 1
ASSI { 428}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 61 and name HD1%)
2.600 2.600 3.400 peak 428 spectrum 3 weight 0.10000E+01 volume 0.65734E-02 ppm1 3.709 ppm2 1.274 CV 1
ASSI { 430}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 58 and name HG2%)
2.100 0.500 0.500 peak 430 spectrum 3 weight 0.10000E+01 volume 0.20043E-01 ppm1 4.315 ppm2 1.336 CV 1
ASSI { 442}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HD3 ))
2.600 0.900 0.900 peak 442 spectrum 3 weight 0.10000E+01 volume 0.43063E-02 ppm1 3.159 ppm2 1.888 CV 1
OR { 442}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HD3 ))
OR { 442}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HD2 ))
OR { 442}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HD2 ))
ASSI { 445}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HD% )
2.200 0.600 0.600 peak 445 spectrum 3 weight 0.10000E+01 volume 0.12338E-01 ppm1 5.155 ppm2 7.531 CV 1
ASSI { 448}
(( segid " " and resid 60 and name HB2 ))
( segid " " and resid 60 and name HD% )
2.200 0.600 0.600 peak 448 spectrum 3 weight 0.10000E+01 volume 0.92113E-02 ppm1 2.865 ppm2 7.531 CV 1
ASSI { 452}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 60 and name HD% )
2.100 0.600 0.600 peak 452 spectrum 3 weight 0.10000E+01 volume 0.87661E-02 ppm1 2.594 ppm2 7.531 CV 1
ASSI { 453}
( segid " " and resid 60 and name HD% )
( segid " " and resid 57 and name HD2%)
2.000 0.500 0.500 peak 453 spectrum 3 weight 0.10000E+01 volume 0.48820E-02 ppm1 7.533 ppm2 -0.073 CV 1
ASSI { 459}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HD1%)
3.200 1.300 1.300 peak 459 spectrum 3 weight 0.10000E+01 volume 0.39242E-02 ppm1 4.765 ppm2 1.274 CV 1
ASSI { 465}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 61 and name HD2%)
3.000 1.100 1.100 peak 465 spectrum 3 weight 0.10000E+01 volume 0.44601E-02 ppm1 2.373 ppm2 1.184 CV 1
ASSI { 471}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HB3 ))
2.700 0.900 0.900 peak 471 spectrum 3 weight 0.10000E+01 volume 0.72360E-02 ppm1 1.278 ppm2 2.084 CV 1
ASSI { 475}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 61 and name HD1%)
2.100 0.600 0.600 peak 475 spectrum 3 weight 0.10000E+01 volume 0.17426E-01 ppm1 1.184 ppm2 1.276 CV 1
ASSI { 477}
(( segid " " and resid 61 and name HG ))
( segid " " and resid 61 and name HD1%)
2.100 0.500 0.500 peak 477 spectrum 3 weight 0.10000E+01 volume 0.12968E-01 ppm1 2.468 ppm2 1.275 CV 1
ASSI { 480}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB3 ))
2.400 0.700 0.700 peak 480 spectrum 3 weight 0.10000E+01 volume 0.82486E-02 ppm1 4.873 ppm2 2.378 CV 1
ASSI { 494}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 68 and name HB2 ))
1.600 0.300 0.600 peak 494 spectrum 3 weight 0.10000E+01 volume 0.30740E-01 ppm1 2.767 ppm2 2.862 CV 1
OR { 494}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 68 and name HG2 ))
ASSI { 504}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HB3 ))
1.900 0.400 0.400 peak 504 spectrum 3 weight 0.10000E+01 volume 0.91958E-02 ppm1 2.660 ppm2 0.783 CV 1
ASSI { 511}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 73 and name HA ))
2.500 2.500 3.500 peak 511 spectrum 3 weight 0.10000E+01 volume 0.83965E-02 ppm1 2.004 ppm2 3.984 CV 1
ASSI { 512}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HG2 ))
2.400 0.700 0.700 peak 512 spectrum 3 weight 0.10000E+01 volume 0.77725E-02 ppm1 3.359 ppm2 1.961 CV 1
OR { 512}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HG2 ))
ASSI { 518}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 111 and name HA ))
2.400 0.700 0.700 peak 518 spectrum 3 weight 0.10000E+01 volume 0.74985E-02 ppm1 1.929 ppm2 4.174 CV 1
ASSI { 520}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB3 ))
2.300 0.700 0.700 peak 520 spectrum 3 weight 0.10000E+01 volume 0.72394E-02 ppm1 4.170 ppm2 0.896 CV 1
ASSI { 527}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HG3 ))
1.800 0.400 0.400 peak 527 spectrum 3 weight 0.10000E+01 volume 0.16369E-01 ppm1 2.052 ppm2 1.426 CV 1
ASSI { 531}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 46 and name HG2%)
2.700 2.700 3.300 peak 531 spectrum 3 weight 0.10000E+01 volume 0.74966E-02 ppm1 3.760 ppm2 0.804 CV 1
ASSI { 548}
(( segid " " and resid 81 and name HB3 ))
(( segid " " and resid 81 and name HA ))
2.500 0.800 0.800 peak 548 spectrum 3 weight 0.10000E+01 volume 0.72120E-02 ppm1 1.928 ppm2 3.908 CV 1
ASSI { 552}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 82 and name HB3 ))
1.700 0.400 0.500 peak 552 spectrum 3 weight 0.10000E+01 volume 0.22426E-01 ppm1 2.219 ppm2 1.779 CV 1
ASSI { 554}
(( segid " " and resid 80 and name HB ))
( segid " " and resid 50 and name HD2%)
2.300 0.600 0.600 peak 554 spectrum 3 weight 0.10000E+01 volume 0.14597E-01 ppm1 2.921 ppm2 -0.776 CV 1
ASSI { 566}
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 84 and name HG3 ))
1.900 0.500 0.500 peak 566 spectrum 3 weight 0.10000E+01 volume 0.11912E-01 ppm1 3.008 ppm2 3.123 CV 1
ASSI { 578}
(( segid " " and resid 87 and name HA2 ))
(( segid " " and resid 87 and name HA1 ))
1.600 0.300 0.600 peak 578 spectrum 3 weight 0.10000E+01 volume 0.32566E-01 ppm1 4.851 ppm2 5.065 CV 1
ASSI { 581}
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HA ))
2.000 0.500 0.500 peak 581 spectrum 3 weight 0.10000E+01 volume 0.27022E-01 ppm1 4.524 ppm2 4.950 CV 1
ASSI { 583}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HA ))
2.000 0.500 0.500 peak 583 spectrum 3 weight 0.10000E+01 volume 0.24416E-01 ppm1 4.263 ppm2 4.951 CV 1
ASSI { 584}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HB2 ))
1.700 0.300 0.500 peak 584 spectrum 3 weight 0.10000E+01 volume 0.27509E-01 ppm1 4.263 ppm2 4.524 CV 1
ASSI { 589}
(( segid " " and resid 93 and name HD2 ))
(( segid " " and resid 93 and name HD3 ))
1.600 0.300 0.600 peak 589 spectrum 3 weight 0.10000E+01 volume 0.22139E-01 ppm1 4.095 ppm2 3.798 CV 1
ASSI { 600}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 91 and name HA ))
2.600 0.800 0.800 peak 600 spectrum 3 weight 0.10000E+01 volume 0.61792E-02 ppm1 2.629 ppm2 4.503 CV 1
ASSI { 601}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 99 and name HD% )
1.800 0.400 0.400 peak 601 spectrum 3 weight 0.10000E+01 volume 0.16120E-01 ppm1 3.878 ppm2 7.059 CV 1
ASSI { 606}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 97 and name HA ))
2.900 1.100 1.100 peak 606 spectrum 3 weight 0.10000E+01 volume 0.53649E-02 ppm1 1.448 ppm2 4.027 CV 1
ASSI { 607}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 111 and name HB3 ))
2.500 0.800 0.800 peak 607 spectrum 3 weight 0.10000E+01 volume 0.62489E-02 ppm1 1.465 ppm2 1.923 CV 1
OR { 607}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HB3 ))
ASSI { 608}
(( segid " " and resid 98 and name HA ))
( segid " " and resid 98 and name HG2%)
2.400 0.700 0.700 peak 608 spectrum 3 weight 0.10000E+01 volume 0.83703E-02 ppm1 3.883 ppm2 0.898 CV 1
ASSI { 613}
(( segid " " and resid 99 and name HA ))
( segid " " and resid 99 and name HD% )
2.100 0.600 0.600 peak 613 spectrum 3 weight 0.10000E+01 volume 0.13084E-01 ppm1 4.771 ppm2 7.059 CV 1
ASSI { 616}
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 99 and name HA ))
2.600 0.800 0.800 peak 616 spectrum 3 weight 0.10000E+01 volume 0.76043E-02 ppm1 3.615 ppm2 4.768 CV 1
ASSI { 618}
(( segid " " and resid 99 and name HB2 ))
( segid " " and resid 99 and name HD% )
2.100 0.600 0.600 peak 618 spectrum 3 weight 0.10000E+01 volume 0.84699E-02 ppm1 3.615 ppm2 7.059 CV 1
ASSI { 621}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 99 and name HA ))
2.500 0.800 0.800 peak 621 spectrum 3 weight 0.10000E+01 volume 0.46840E-02 ppm1 2.550 ppm2 4.768 CV 1
ASSI { 623}
(( segid " " and resid 99 and name HB3 ))
( segid " " and resid 99 and name HD% )
2.200 0.600 0.600 peak 623 spectrum 3 weight 0.10000E+01 volume 0.92674E-02 ppm1 2.552 ppm2 7.059 CV 1
ASSI { 629}
( segid " " and resid 99 and name HD% )
( segid " " and resid 99 and name HE% )
1.700 0.400 0.500 peak 629 spectrum 3 weight 0.10000E+01 volume 0.35727E-01 ppm1 7.061 ppm2 6.839 CV 1
ASSI { 635}
(( segid " " and resid 99 and name HZ ))
( segid " " and resid 99 and name HE% )
1.900 0.400 0.400 peak 635 spectrum 3 weight 0.10000E+01 volume 0.26160E-01 ppm1 7.179 ppm2 6.839 CV 1
ASSI { 639}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 100 and name HA ))
2.700 0.900 0.900 peak 639 spectrum 3 weight 0.10000E+01 volume 0.37206E-02 ppm1 1.441 ppm2 3.451 CV 1
ASSI { 646}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 100 and name HA ))
2.500 0.800 0.800 peak 646 spectrum 3 weight 0.10000E+01 volume 0.34737E-02 ppm1 1.306 ppm2 3.452 CV 1
ASSI { 647}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 100 and name HG13))
1.700 0.300 0.500 peak 647 spectrum 3 weight 0.10000E+01 volume 0.12263E-01 ppm1 1.307 ppm2 -0.236 CV 1
ASSI { 659}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 47 and name HZ2 ))
2.700 2.700 3.300 peak 659 spectrum 3 weight 0.10000E+01 volume 0.37231E-02 ppm1 -1.170 ppm2 6.631 CV 1
ASSI { 665}
(( segid " " and resid 101 and name HG12))
( segid " " and resid 101 and name HD1%)
2.200 0.600 0.600 peak 665 spectrum 3 weight 0.10000E+01 volume 0.74013E-02 ppm1 0.160 ppm2 -1.173 CV 1
ASSI { 666}
(( segid " " and resid 101 and name HG12))
(( segid " " and resid 101 and name HG13))
1.700 0.400 0.500 peak 666 spectrum 3 weight 0.10000E+01 volume 0.97649E-02 ppm1 0.159 ppm2 -0.094 CV 1
ASSI { 667}
(( segid " " and resid 101 and name HG13))
( segid " " and resid 54 and name HG2%)
2.900 1.100 1.100 peak 667 spectrum 3 weight 0.10000E+01 volume 0.37773E-02 ppm1 -0.095 ppm2 0.047 CV 1
ASSI { 668}
(( segid " " and resid 101 and name HG13))
( segid " " and resid 101 and name HD1%)
2.300 0.600 0.600 peak 668 spectrum 3 weight 0.10000E+01 volume 0.69383E-02 ppm1 -0.091 ppm2 -1.173 CV 1
ASSI { 677}
(( segid " " and resid 103 and name HB2 ))
( segid " " and resid 31 and name HD% )
3.300 1.400 1.400 peak 677 spectrum 3 weight 0.10000E+01 volume 0.46771E-02 ppm1 2.167 ppm2 6.833 CV 1
OR { 677}
(( segid " " and resid 103 and name HG3 ))
( segid " " and resid 31 and name HD% )
ASSI { 678}
(( segid " " and resid 103 and name HB3 ))
( segid " " and resid 31 and name HD% )
2.300 0.600 0.600 peak 678 spectrum 3 weight 0.10000E+01 volume 0.58880E-02 ppm1 1.718 ppm2 6.833 CV 1
ASSI { 681}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HB3 ))
1.900 0.400 0.400 peak 681 spectrum 3 weight 0.10000E+01 volume 0.10609E-01 ppm1 1.688 ppm2 0.989 CV 1
ASSI { 684}
( segid " " and resid 104 and name HD2%)
( segid " " and resid 104 and name HD1%)
2.300 0.600 0.600 peak 684 spectrum 3 weight 0.10000E+01 volume 0.12458E-01 ppm1 1.037 ppm2 0.885 CV 1
OR { 684}
(( segid " " and resid 104 and name HB3 ))
( segid " " and resid 104 and name HD1%)
ASSI { 687}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 106 and name HD2 ))
2.600 0.800 0.800 peak 687 spectrum 3 weight 0.10000E+01 volume 0.69673E-02 ppm1 3.755 ppm2 2.256 CV 1
ASSI { 700}
(( segid " " and resid 106 and name HG3 ))
(( segid " " and resid 106 and name HB2 ))
3.000 1.100 1.100 peak 700 spectrum 3 weight 0.10000E+01 volume 0.44511E-02 ppm1 1.394 ppm2 2.162 CV 1
ASSI { 705}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HA ))
2.900 1.000 1.000 peak 705 spectrum 3 weight 0.10000E+01 volume 0.35945E-02 ppm1 1.180 ppm2 4.058 CV 1
ASSI { 716}
(( segid " " and resid 119 and name HG ))
( segid " " and resid 119 and name HD2%)
2.200 0.600 0.600 peak 716 spectrum 3 weight 0.10000E+01 volume 0.12882E-01 ppm1 1.682 ppm2 0.856 CV 1
OR { 716}
(( segid " " and resid 119 and name HB3 ))
( segid " " and resid 119 and name HD2%)
OR { 716}
(( segid " " and resid 119 and name HB2 ))
( segid " " and resid 119 and name HD2%)
ASSI { 3}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 50 and name HN ))
3.900 1.900 1.900 peak 3 spectrum 4 weight 0.10000E+01 volume 0.58843E-03 ppm1 -1.998 ppm2 8.358 CV 1
ASSI { 4}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 102 and name HN ))
4.700 2.800 1.300 peak 4 spectrum 4 weight 0.10000E+01 volume 0.93141E-03 ppm1 -1.217 ppm2 7.292 CV 1
ASSI { 5}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 56 and name HN ))
2.800 2.800 3.200 peak 5 spectrum 4 weight 0.10000E+01 volume 0.59709E-03 ppm1 -1.197 ppm2 8.124 CV 1
ASSI { 6}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 47 and name HE1 ))
3.100 1.200 1.200 peak 6 spectrum 4 weight 0.10000E+01 volume 0.21885E-02 ppm1 -1.196 ppm2 8.666 CV 1
ASSI { 7}
( segid " " and resid 101 and name HD1%)
(( segid " " and resid 101 and name HN ))
4.900 3.100 1.100 peak 7 spectrum 4 weight 0.10000E+01 volume 0.69965E-03 ppm1 -1.189 ppm2 8.545 CV 1
ASSI { 8}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 51 and name HN ))
4.400 2.400 1.600 peak 8 spectrum 4 weight 0.10000E+01 volume 0.10444E-02 ppm1 -0.813 ppm2 9.223 CV 1
ASSI { 9}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 83 and name HN ))
3.600 3.600 2.400 peak 9 spectrum 4 weight 0.10000E+01 volume 0.13969E-02 ppm1 -0.812 ppm2 7.973 CV 1
ASSI { 10}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 50 and name HN ))
4.500 2.600 1.500 peak 10 spectrum 4 weight 0.10000E+01 volume 0.37925E-03 ppm1 -0.808 ppm2 8.357 CV 1
ASSI { 12}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 80 and name HN ))
3.300 1.400 1.400 peak 12 spectrum 4 weight 0.10000E+01 volume 0.14964E-02 ppm1 -0.807 ppm2 7.835 CV 1
ASSI { 13}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 79 and name HN ))
3.400 1.400 1.400 peak 13 spectrum 4 weight 0.10000E+01 volume 0.12350E-02 ppm1 -0.802 ppm2 8.305 CV 1
ASSI { 14}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 76 and name HN ))
4.500 2.600 1.500 peak 14 spectrum 4 weight 0.10000E+01 volume 0.74817E-03 ppm1 -0.626 ppm2 9.327 CV 1
ASSI { 15}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 49 and name HN ))
4.400 2.500 1.600 peak 15 spectrum 4 weight 0.10000E+01 volume 0.68103E-03 ppm1 -0.605 ppm2 7.986 CV 1
ASSI { 17}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 48 and name HN ))
4.700 2.700 1.300 peak 17 spectrum 4 weight 0.10000E+01 volume 0.90908E-03 ppm1 -0.597 ppm2 8.455 CV 1
ASSI { 18}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 57 and name HN ))
4.100 2.100 1.900 peak 18 spectrum 4 weight 0.10000E+01 volume 0.94803E-03 ppm1 -0.522 ppm2 8.331 CV 1
ASSI { 20}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 48 and name HN ))
3.600 1.600 1.600 peak 20 spectrum 4 weight 0.10000E+01 volume 0.11460E-02 ppm1 -0.516 ppm2 8.455 CV 1
ASSI { 21}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 100 and name HN ))
2.200 0.600 0.600 peak 21 spectrum 4 weight 0.10000E+01 volume 0.31554E-02 ppm1 -0.254 ppm2 6.817 CV 1
ASSI { 23}
(( segid " " and resid 101 and name HG13))
(( segid " " and resid 101 and name HN ))
3.400 1.400 1.400 peak 23 spectrum 4 weight 0.10000E+01 volume 0.21458E-02 ppm1 -0.122 ppm2 8.546 CV 1
ASSI { 24}
(( segid " " and resid 101 and name HG13))
(( segid " " and resid 102 and name HN ))
2.600 0.800 0.800 peak 24 spectrum 4 weight 0.10000E+01 volume 0.23992E-02 ppm1 -0.112 ppm2 7.294 CV 1
ASSI { 26}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 57 and name HN ))
3.300 1.400 1.400 peak 26 spectrum 4 weight 0.10000E+01 volume 0.10000E-02 ppm1 -0.098 ppm2 8.328 CV 1
ASSI { 27}
( segid " " and resid 57 and name HD2%)
(( segid " " and resid 58 and name HN ))
4.500 2.600 1.500 peak 27 spectrum 4 weight 0.10000E+01 volume 0.57763E-03 ppm1 -0.094 ppm2 8.641 CV 1
ASSI { 28}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HN ))
4.200 2.200 1.800 peak 28 spectrum 4 weight 0.10000E+01 volume 0.11404E-02 ppm1 -0.065 ppm2 8.359 CV 1
ASSI { 29}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 48 and name HN ))
3.400 1.500 1.500 peak 29 spectrum 4 weight 0.10000E+01 volume 0.93810E-03 ppm1 0.008 ppm2 8.454 CV 1
ASSI { 30}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 55 and name HN ))
3.000 1.200 1.200 peak 30 spectrum 4 weight 0.10000E+01 volume 0.21066E-02 ppm1 0.009 ppm2 8.793 CV 1
ASSI { 31}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 54 and name HN ))
3.600 1.600 1.600 peak 31 spectrum 4 weight 0.10000E+01 volume 0.12647E-02 ppm1 0.026 ppm2 8.241 CV 1
ASSI { 32}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 102 and name HN ))
3.500 3.500 2.500 peak 32 spectrum 4 weight 0.10000E+01 volume 0.21758E-02 ppm1 0.059 ppm2 7.297 CV 1
ASSI { 33}
(( segid " " and resid 101 and name HG12))
(( segid " " and resid 101 and name HN ))
2.500 0.800 0.800 peak 33 spectrum 4 weight 0.10000E+01 volume 0.19233E-02 ppm1 0.118 ppm2 8.540 CV 1
ASSI { 34}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HN ))
4.200 2.200 1.800 peak 34 spectrum 4 weight 0.10000E+01 volume 0.83248E-03 ppm1 0.142 ppm2 8.363 CV 1
ASSI { 35}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 49 and name HN ))
3.700 1.700 1.700 peak 35 spectrum 4 weight 0.10000E+01 volume 0.80807E-03 ppm1 0.150 ppm2 7.982 CV 1
ASSI { 36}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 80 and name HN ))
3.500 1.500 1.500 peak 36 spectrum 4 weight 0.10000E+01 volume 0.17343E-02 ppm1 0.155 ppm2 7.835 CV 1
ASSI { 37}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 82 and name HN ))
4.000 2.000 2.000 peak 37 spectrum 4 weight 0.10000E+01 volume 0.62935E-03 ppm1 0.155 ppm2 7.655 CV 1
ASSI { 39}
( segid " " and resid 79 and name HB% )
(( segid " " and resid 79 and name HN ))
2.700 0.900 0.900 peak 39 spectrum 4 weight 0.10000E+01 volume 0.34961E-02 ppm1 0.159 ppm2 8.306 CV 1
ASSI { 42}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HN ))
3.400 1.500 1.500 peak 42 spectrum 4 weight 0.10000E+01 volume 0.27823E-02 ppm1 0.322 ppm2 7.988 CV 1
ASSI { 43}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 43 spectrum 4 weight 0.10000E+01 volume 0.21547E-02 ppm1 0.326 ppm2 7.679 CV 1
ASSI { 44}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 103 and name HN ))
4.000 2.000 2.000 peak 44 spectrum 4 weight 0.10000E+01 volume 0.82289E-03 ppm1 0.330 ppm2 8.987 CV 1
ASSI { 45}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HN ))
3.000 1.100 1.100 peak 45 spectrum 4 weight 0.10000E+01 volume 0.14618E-02 ppm1 0.409 ppm2 7.836 CV 1
ASSI { 46}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 51 and name HN ))
3.200 3.200 2.800 peak 46 spectrum 4 weight 0.10000E+01 volume 0.23664E-02 ppm1 0.412 ppm2 9.221 CV 1
ASSI { 47}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 84 and name HN ))
4.400 2.400 1.600 peak 47 spectrum 4 weight 0.10000E+01 volume 0.36468E-03 ppm1 0.419 ppm2 8.752 CV 1
ASSI { 48}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 81 and name HN ))
3.100 1.200 1.200 peak 48 spectrum 4 weight 0.10000E+01 volume 0.29333E-02 ppm1 0.419 ppm2 8.523 CV 1
ASSI { 50}
(( segid " " and resid 49 and name HG13))
(( segid " " and resid 49 and name HN ))
2.900 1.100 1.100 peak 50 spectrum 4 weight 0.10000E+01 volume 0.17539E-02 ppm1 0.493 ppm2 7.984 CV 1
ASSI { 51}
( segid " " and resid 54 and name HG1%)
(( segid " " and resid 54 and name HN ))
2.700 0.900 0.900 peak 51 spectrum 4 weight 0.10000E+01 volume 0.32747E-02 ppm1 0.547 ppm2 8.244 CV 1
ASSI { 53}
( segid " " and resid 54 and name HG1%)
(( segid " " and resid 55 and name HN ))
3.500 1.600 1.600 peak 53 spectrum 4 weight 0.10000E+01 volume 0.10910E-02 ppm1 0.559 ppm2 8.791 CV 1
ASSI { 54}
( segid " " and resid 54 and name HG1%)
(( segid " " and resid 104 and name HN ))
3.200 3.200 2.800 peak 54 spectrum 4 weight 0.10000E+01 volume 0.27187E-02 ppm1 0.566 ppm2 8.728 CV 1
ASSI { 57}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 52 and name HN ))
2.800 2.800 3.200 peak 57 spectrum 4 weight 0.10000E+01 volume 0.33999E-02 ppm1 0.632 ppm2 8.475 CV 1
ASSI { 58}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 50 and name HN ))
2.900 2.900 3.100 peak 58 spectrum 4 weight 0.10000E+01 volume 0.28636E-02 ppm1 0.634 ppm2 8.359 CV 1
ASSI { 59}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 30 and name HN ))
3.300 3.300 2.700 peak 59 spectrum 4 weight 0.10000E+01 volume 0.17168E-02 ppm1 0.640 ppm2 7.983 CV 1
ASSI { 60}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 53 and name HN ))
2.800 2.800 3.200 peak 60 spectrum 4 weight 0.10000E+01 volume 0.33099E-02 ppm1 0.646 ppm2 8.237 CV 1
ASSI { 61}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 61 spectrum 4 weight 0.10000E+01 volume 0.51791E-02 ppm1 0.647 ppm2 7.678 CV 1
ASSI { 62}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 47 and name HE1 ))
4.000 2.000 2.000 peak 62 spectrum 4 weight 0.10000E+01 volume 0.88131E-03 ppm1 0.660 ppm2 8.665 CV 1
ASSI { 63}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 56 and name HN ))
3.100 3.100 2.900 peak 63 spectrum 4 weight 0.10000E+01 volume 0.18579E-02 ppm1 0.663 ppm2 8.129 CV 1
ASSI { 65}
( segid " " and resid 101 and name HG2%)
(( segid " " and resid 101 and name HN ))
2.700 2.700 3.300 peak 65 spectrum 4 weight 0.10000E+01 volume 0.35073E-02 ppm1 0.685 ppm2 8.544 CV 1
ASSI { 67}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 33 and name HN ))
4.100 2.100 1.900 peak 67 spectrum 4 weight 0.10000E+01 volume 0.86727E-03 ppm1 0.700 ppm2 9.093 CV 1
ASSI { 72}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HN ))
3.200 1.300 1.300 peak 72 spectrum 4 weight 0.10000E+01 volume 0.45420E-02 ppm1 0.706 ppm2 8.429 CV 1
OR { 72}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HN ))
ASSI { 74}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 38 and name HN ))
3.400 1.400 1.400 peak 74 spectrum 4 weight 0.10000E+01 volume 0.22402E-02 ppm1 0.717 ppm2 8.093 CV 1
OR { 74}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 38 and name HN ))
ASSI { 75}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 40 and name HN ))
3.900 1.900 1.900 peak 75 spectrum 4 weight 0.10000E+01 volume 0.82601E-03 ppm1 0.718 ppm2 7.756 CV 1
ASSI { 79}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 100 and name HN ))
3.200 1.300 1.300 peak 79 spectrum 4 weight 0.10000E+01 volume 0.53170E-02 ppm1 0.744 ppm2 6.817 CV 1
OR { 79}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 100 and name HN ))
ASSI { 82}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 76 and name HN ))
3.000 1.100 1.100 peak 82 spectrum 4 weight 0.10000E+01 volume 0.22163E-02 ppm1 0.751 ppm2 9.323 CV 1
ASSI { 83}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 42 and name HN ))
4.200 2.200 1.800 peak 83 spectrum 4 weight 0.10000E+01 volume 0.58354E-03 ppm1 0.757 ppm2 7.494 CV 1
ASSI { 84}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HN ))
3.400 1.500 1.500 peak 84 spectrum 4 weight 0.10000E+01 volume 0.28352E-02 ppm1 0.768 ppm2 8.384 CV 1
ASSI { 85}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HN ))
3.900 1.900 1.900 peak 85 spectrum 4 weight 0.10000E+01 volume 0.15378E-02 ppm1 0.769 ppm2 7.266 CV 1
ASSI { 86}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 47 and name HN ))
3.200 1.300 1.300 peak 86 spectrum 4 weight 0.10000E+01 volume 0.25335E-02 ppm1 0.772 ppm2 8.785 CV 1
ASSI { 87}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 48 and name HN ))
2.600 2.600 3.400 peak 87 spectrum 4 weight 0.10000E+01 volume 0.30307E-02 ppm1 0.777 ppm2 8.459 CV 1
ASSI { 88}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HN ))
4.100 2.100 1.900 peak 88 spectrum 4 weight 0.10000E+01 volume 0.10018E-02 ppm1 0.780 ppm2 8.830 CV 1
ASSI { 92}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HN ))
3.200 1.300 1.300 peak 92 spectrum 4 weight 0.10000E+01 volume 0.43517E-02 ppm1 0.859 ppm2 6.621 CV 1
ASSI { 93}
( segid " " and resid 112 and name HD1%)
(( segid " " and resid 112 and name HN ))
2.300 2.300 3.700 peak 93 spectrum 4 weight 0.10000E+01 volume 0.22037E-02 ppm1 0.863 ppm2 7.454 CV 1
OR { 93}
( segid " " and resid 112 and name HD2%)
(( segid " " and resid 112 and name HN ))
ASSI { 95}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 98 and name HN ))
2.900 2.900 3.100 peak 95 spectrum 4 weight 0.10000E+01 volume 0.48085E-02 ppm1 0.865 ppm2 7.419 CV 1
ASSI { 97}
( segid " " and resid 119 and name HD2%)
(( segid " " and resid 119 and name HN ))
4.700 2.700 1.300 peak 97 spectrum 4 weight 0.10000E+01 volume 0.36343E-03 ppm1 0.869 ppm2 8.181 CV 1
OR { 97}
( segid " " and resid 119 and name HD1%)
(( segid " " and resid 119 and name HN ))
ASSI { 100}
( segid " " and resid 123 and name HG2%)
(( segid " " and resid 123 and name HN ))
3.800 1.800 1.800 peak 100 spectrum 4 weight 0.10000E+01 volume 0.16845E-02 ppm1 0.901 ppm2 8.107 CV 1
OR { 100}
( segid " " and resid 123 and name HD1%)
(( segid " " and resid 123 and name HN ))
ASSI { 107}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 84 and name HN ))
3.200 1.300 1.300 peak 107 spectrum 4 weight 0.10000E+01 volume 0.11304E-02 ppm1 0.932 ppm2 8.757 CV 1
ASSI { 108}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 83 and name HN ))
2.600 0.800 0.800 peak 108 spectrum 4 weight 0.10000E+01 volume 0.37137E-02 ppm1 0.936 ppm2 7.974 CV 1
ASSI { 109}
(( segid " " and resid 37 and name HG13))
(( segid " " and resid 37 and name HN ))
2.400 0.700 0.700 peak 109 spectrum 4 weight 0.10000E+01 volume 0.29529E-02 ppm1 0.941 ppm2 8.430 CV 1
ASSI { 110}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 82 and name HN ))
4.700 2.800 1.300 peak 110 spectrum 4 weight 0.10000E+01 volume 0.61555E-03 ppm1 0.943 ppm2 7.656 CV 1
ASSI { 111}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HN ))
2.600 0.800 0.800 peak 111 spectrum 4 weight 0.10000E+01 volume 0.58775E-02 ppm1 0.957 ppm2 8.728 CV 1
OR { 111}
( segid " " and resid 104 and name HD2%)
(( segid " " and resid 104 and name HN ))
ASSI { 114}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 57 and name HN ))
3.100 1.200 1.200 peak 114 spectrum 4 weight 0.10000E+01 volume 0.41687E-02 ppm1 0.978 ppm2 8.331 CV 1
OR { 114}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HN ))
ASSI { 116}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 58 and name HN ))
3.800 1.800 1.800 peak 116 spectrum 4 weight 0.10000E+01 volume 0.12758E-02 ppm1 0.984 ppm2 8.639 CV 1
ASSI { 117}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 102 and name HN ))
3.400 3.400 2.600 peak 117 spectrum 4 weight 0.10000E+01 volume 0.21202E-02 ppm1 0.986 ppm2 7.297 CV 1
ASSI { 120}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 54 and name HN ))
2.700 0.900 0.900 peak 120 spectrum 4 weight 0.10000E+01 volume 0.28923E-02 ppm1 1.008 ppm2 8.242 CV 1
ASSI { 121}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 103 and name HN ))
4.000 2.000 2.000 peak 121 spectrum 4 weight 0.10000E+01 volume 0.51591E-03 ppm1 1.011 ppm2 8.980 CV 1
ASSI { 122}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 109 and name HN ))
3.000 1.100 1.100 peak 122 spectrum 4 weight 0.10000E+01 volume 0.24366E-02 ppm1 1.055 ppm2 7.213 CV 1
OR { 122}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 109 and name HN ))
ASSI { 125}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 125 spectrum 4 weight 0.10000E+01 volume 0.18201E-02 ppm1 1.087 ppm2 7.989 CV 1
OR { 125}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 126}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 31 and name HN ))
3.600 1.700 1.700 peak 126 spectrum 4 weight 0.10000E+01 volume 0.12142E-02 ppm1 1.092 ppm2 8.052 CV 1
OR { 126}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 128}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
3.700 1.700 1.700 peak 128 spectrum 4 weight 0.10000E+01 volume 0.25131E-02 ppm1 1.122 ppm2 9.699 CV 1
ASSI { 129}
(( segid " " and resid 123 and name HG13))
(( segid " " and resid 123 and name HN ))
3.400 1.500 1.500 peak 129 spectrum 4 weight 0.10000E+01 volume 0.11442E-02 ppm1 1.161 ppm2 8.107 CV 1
ASSI { 130}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 35 and name HN ))
4.000 2.000 2.000 peak 130 spectrum 4 weight 0.10000E+01 volume 0.19134E-02 ppm1 1.171 ppm2 8.366 CV 1
ASSI { 131}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
2.600 2.600 3.400 peak 131 spectrum 4 weight 0.10000E+01 volume 0.54789E-02 ppm1 1.177 ppm2 9.092 CV 1
ASSI { 132}
( segid " " and resid 121 and name HG2%)
(( segid " " and resid 121 and name HN ))
4.100 2.100 1.900 peak 132 spectrum 4 weight 0.10000E+01 volume 0.64853E-03 ppm1 1.177 ppm2 8.224 CV 1
ASSI { 133}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 72 and name HN ))
3.400 3.400 2.600 peak 133 spectrum 4 weight 0.10000E+01 volume 0.15461E-02 ppm1 1.184 ppm2 8.385 CV 1
OR { 133}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 72 and name HN ))
ASSI { 134}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HN ))
3.900 1.900 1.900 peak 134 spectrum 4 weight 0.10000E+01 volume 0.10132E-02 ppm1 1.191 ppm2 8.457 CV 1
ASSI { 135}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HN ))
3.200 1.300 1.300 peak 135 spectrum 4 weight 0.10000E+01 volume 0.45794E-02 ppm1 1.211 ppm2 7.795 CV 1
OR { 135}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HN ))
ASSI { 137}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 62 and name HN ))
3.400 3.400 2.600 peak 137 spectrum 4 weight 0.10000E+01 volume 0.20386E-02 ppm1 1.222 ppm2 8.504 CV 1
OR { 137}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 62 and name HN ))
ASSI { 138}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 77 and name HN ))
3.600 1.700 1.700 peak 138 spectrum 4 weight 0.10000E+01 volume 0.95059E-03 ppm1 1.222 ppm2 7.369 CV 1
ASSI { 139}
( segid " " and resid 118 and name HG2%)
(( segid " " and resid 118 and name HN ))
4.300 2.300 1.700 peak 139 spectrum 4 weight 0.10000E+01 volume 0.32663E-03 ppm1 1.248 ppm2 8.093 CV 1
ASSI { 140}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 51 and name HN ))
4.200 2.200 1.800 peak 140 spectrum 4 weight 0.10000E+01 volume 0.67624E-03 ppm1 1.263 ppm2 9.226 CV 1
ASSI { 142}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 29 and name HN ))
3.300 1.300 1.300 peak 142 spectrum 4 weight 0.10000E+01 volume 0.33407E-02 ppm1 1.269 ppm2 7.679 CV 1
ASSI { 143}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 28 and name HN ))
2.600 0.800 0.800 peak 143 spectrum 4 weight 0.10000E+01 volume 0.79630E-02 ppm1 1.273 ppm2 8.110 CV 1
ASSI { 144}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 49 and name HN ))
2.600 0.900 0.900 peak 144 spectrum 4 weight 0.10000E+01 volume 0.42219E-02 ppm1 1.275 ppm2 7.983 CV 1
OR { 144}
(( segid " " and resid 49 and name HG12))
(( segid " " and resid 49 and name HN ))
ASSI { 147}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 59 and name HN ))
3.900 1.900 1.900 peak 147 spectrum 4 weight 0.10000E+01 volume 0.94421E-03 ppm1 1.305 ppm2 8.893 CV 1
ASSI { 148}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HN ))
3.400 1.400 1.400 peak 148 spectrum 4 weight 0.10000E+01 volume 0.18509E-02 ppm1 1.306 ppm2 8.641 CV 1
ASSI { 149}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 46 and name HN ))
3.200 3.200 2.800 peak 149 spectrum 4 weight 0.10000E+01 volume 0.23160E-02 ppm1 1.308 ppm2 8.832 CV 1
ASSI { 152}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 99 and name HN ))
4.900 3.000 1.100 peak 152 spectrum 4 weight 0.10000E+01 volume 0.17788E-02 ppm1 1.341 ppm2 7.286 CV 1
ASSI { 153}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 54 and name HN ))
2.800 1.000 1.000 peak 153 spectrum 4 weight 0.10000E+01 volume 0.27815E-02 ppm1 1.343 ppm2 8.245 CV 1
ASSI { 155}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 77 and name HN ))
4.700 2.800 1.300 peak 155 spectrum 4 weight 0.10000E+01 volume 0.10159E-02 ppm1 1.363 ppm2 7.365 CV 1
ASSI { 156}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 23 and name HN ))
3.700 1.800 1.800 peak 156 spectrum 4 weight 0.10000E+01 volume 0.69324E-03 ppm1 1.365 ppm2 8.322 CV 1
ASSI { 157}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HN ))
2.600 0.800 0.800 peak 157 spectrum 4 weight 0.10000E+01 volume 0.63816E-02 ppm1 1.366 ppm2 7.140 CV 1
OR { 157}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 158}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 47 and name HN ))
3.300 1.400 1.400 peak 158 spectrum 4 weight 0.10000E+01 volume 0.14413E-02 ppm1 1.367 ppm2 8.784 CV 1
ASSI { 160}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 160 spectrum 4 weight 0.10000E+01 volume 0.96855E-03 ppm1 1.370 ppm2 8.226 CV 1
ASSI { 161}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HN ))
3.100 1.200 1.200 peak 161 spectrum 4 weight 0.10000E+01 volume 0.59771E-02 ppm1 1.371 ppm2 8.233 CV 1
ASSI { 162}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 42 and name HN ))
3.100 3.100 2.900 peak 162 spectrum 4 weight 0.10000E+01 volume 0.12167E-02 ppm1 1.380 ppm2 7.488 CV 1
OR { 162}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 42 and name HN ))
ASSI { 163}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 100 and name HN ))
2.400 0.700 0.700 peak 163 spectrum 4 weight 0.10000E+01 volume 0.11059E-01 ppm1 1.382 ppm2 6.818 CV 1
OR { 163}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 100 and name HN ))
ASSI { 165}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 76 and name HN ))
3.100 1.200 1.200 peak 165 spectrum 4 weight 0.10000E+01 volume 0.31822E-02 ppm1 1.386 ppm2 9.324 CV 1
ASSI { 167}
( segid " " and resid 75 and name HB% )
(( segid " " and resid 75 and name HN ))
2.100 2.100 3.900 peak 167 spectrum 4 weight 0.10000E+01 volume 0.14010E-01 ppm1 1.389 ppm2 6.875 CV 1
ASSI { 169}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HE21))
3.400 1.400 1.400 peak 169 spectrum 4 weight 0.10000E+01 volume 0.10274E-02 ppm1 1.397 ppm2 6.373 CV 1
ASSI { 170}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HE22))
3.800 1.800 1.800 peak 170 spectrum 4 weight 0.10000E+01 volume 0.16865E-02 ppm1 1.403 ppm2 7.268 CV 1
ASSI { 173}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 98 and name HN ))
4.300 2.300 1.700 peak 173 spectrum 4 weight 0.10000E+01 volume 0.10741E-02 ppm1 1.454 ppm2 7.417 CV 1
ASSI { 174}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 111 and name HN ))
2.900 1.100 1.100 peak 174 spectrum 4 weight 0.10000E+01 volume 0.32987E-02 ppm1 1.462 ppm2 7.543 CV 1
OR { 174}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HN ))
ASSI { 181}
(( segid " " and resid 123 and name HG12))
(( segid " " and resid 123 and name HN ))
3.300 1.400 1.400 peak 181 spectrum 4 weight 0.10000E+01 volume 0.14703E-02 ppm1 1.510 ppm2 8.105 CV 1
ASSI { 182}
( segid " " and resid 70 and name HG1%)
(( segid " " and resid 70 and name HN ))
2.600 0.800 0.800 peak 182 spectrum 4 weight 0.10000E+01 volume 0.56078E-02 ppm1 1.511 ppm2 9.218 CV 1
OR { 182}
( segid " " and resid 70 and name HG2%)
(( segid " " and resid 70 and name HN ))
ASSI { 184}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
2.500 0.800 0.800 peak 184 spectrum 4 weight 0.10000E+01 volume 0.50025E-02 ppm1 1.520 ppm2 9.700 CV 1
ASSI { 185}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
3.000 1.100 1.100 peak 185 spectrum 4 weight 0.10000E+01 volume 0.26266E-02 ppm1 1.524 ppm2 7.756 CV 1
OR { 185}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 40 and name HN ))
ASSI { 186}
( segid " " and resid 70 and name HG1%)
(( segid " " and resid 69 and name HN ))
4.200 2.200 1.800 peak 186 spectrum 4 weight 0.10000E+01 volume 0.74683E-03 ppm1 1.529 ppm2 9.522 CV 1
OR { 186}
( segid " " and resid 70 and name HG2%)
(( segid " " and resid 69 and name HN ))
ASSI { 187}
(( segid " " and resid 97 and name HG3 ))
(( segid " " and resid 97 and name HN ))
2.400 0.700 0.700 peak 187 spectrum 4 weight 0.10000E+01 volume 0.41191E-02 ppm1 1.535 ppm2 7.193 CV 1
ASSI { 188}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.200 0.600 0.600 peak 188 spectrum 4 weight 0.10000E+01 volume 0.10854E-01 ppm1 1.551 ppm2 7.140 CV 1
OR { 188}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
ASSI { 192}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 90 and name HN ))
3.800 1.800 1.800 peak 192 spectrum 4 weight 0.10000E+01 volume 0.73095E-03 ppm1 1.553 ppm2 9.255 CV 1
ASSI { 193}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 193 spectrum 4 weight 0.10000E+01 volume 0.39756E-02 ppm1 1.559 ppm2 8.047 CV 1
OR { 193}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
ASSI { 194}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.300 0.600 0.600 peak 194 spectrum 4 weight 0.10000E+01 volume 0.10854E-01 ppm1 1.560 ppm2 7.139 CV 1
OR { 194}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
OR { 194}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 199}
(( segid " " and resid 97 and name HG3 ))
(( segid " " and resid 94 and name HN ))
3.400 1.400 1.400 peak 199 spectrum 4 weight 0.10000E+01 volume 0.10668E-02 ppm1 1.573 ppm2 9.033 CV 1
ASSI { 200}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 200 spectrum 4 weight 0.10000E+01 volume 0.83544E-02 ppm1 1.574 ppm2 7.679 CV 1
ASSI { 201}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 109 and name HN ))
2.500 0.800 0.800 peak 201 spectrum 4 weight 0.10000E+01 volume 0.32009E-02 ppm1 1.581 ppm2 7.209 CV 1
ASSI { 203}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 54 and name HN ))
4.000 2.000 2.000 peak 203 spectrum 4 weight 0.10000E+01 volume 0.13328E-02 ppm1 1.590 ppm2 8.242 CV 1
OR { 203}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 54 and name HN ))
ASSI { 204}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 45 and name HN ))
3.700 1.700 1.700 peak 204 spectrum 4 weight 0.10000E+01 volume 0.12778E-02 ppm1 1.595 ppm2 7.030 CV 1
ASSI { 207}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
2.500 0.800 0.800 peak 207 spectrum 4 weight 0.10000E+01 volume 0.97578E-02 ppm1 1.603 ppm2 7.140 CV 1
OR { 207}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 208}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 36 and name HN ))
3.600 1.600 1.600 peak 208 spectrum 4 weight 0.10000E+01 volume 0.13850E-02 ppm1 1.604 ppm2 7.588 CV 1
OR { 208}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 36 and name HN ))
ASSI { 209}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HN ))
3.600 1.600 1.600 peak 209 spectrum 4 weight 0.10000E+01 volume 0.84930E-03 ppm1 1.612 ppm2 8.408 CV 1
OR { 209}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 44 and name HN ))
ASSI { 211}
(( segid " " and resid 119 and name HB2 ))
(( segid " " and resid 119 and name HN ))
3.000 1.100 1.100 peak 211 spectrum 4 weight 0.10000E+01 volume 0.27500E-02 ppm1 1.614 ppm2 8.181 CV 1
OR { 211}
(( segid " " and resid 119 and name HB3 ))
(( segid " " and resid 119 and name HN ))
OR { 211}
(( segid " " and resid 119 and name HG ))
(( segid " " and resid 119 and name HN ))
ASSI { 214}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.400 0.700 0.700 peak 214 spectrum 4 weight 0.10000E+01 volume 0.57451E-02 ppm1 1.615 ppm2 9.699 CV 1
ASSI { 217}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 217 spectrum 4 weight 0.10000E+01 volume 0.55661E-02 ppm1 1.619 ppm2 8.365 CV 1
OR { 217}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 35 and name HN ))
ASSI { 218}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 38 and name HE21))
4.300 2.300 1.700 peak 218 spectrum 4 weight 0.10000E+01 volume 0.50224E-03 ppm1 1.643 ppm2 6.658 CV 1
ASSI { 221}
(( segid " " and resid 103 and name HB3 ))
(( segid " " and resid 103 and name HN ))
2.900 1.000 1.000 peak 221 spectrum 4 weight 0.10000E+01 volume 0.20487E-02 ppm1 1.655 ppm2 8.986 CV 1
ASSI { 222}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 61 and name HN ))
3.800 1.800 1.800 peak 222 spectrum 4 weight 0.10000E+01 volume 0.10890E-02 ppm1 1.668 ppm2 7.795 CV 1
ASSI { 223}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 59 and name HN ))
3.200 1.300 1.300 peak 223 spectrum 4 weight 0.10000E+01 volume 0.19126E-02 ppm1 1.669 ppm2 8.895 CV 1
OR { 223}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 226}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 107 and name HN ))
3.200 1.300 1.300 peak 226 spectrum 4 weight 0.10000E+01 volume 0.24499E-02 ppm1 1.680 ppm2 10.913 CV 1
OR { 226}
(( segid " " and resid 104 and name HG ))
(( segid " " and resid 107 and name HN ))
ASSI { 229}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 112 and name HN ))
2.500 0.800 0.800 peak 229 spectrum 4 weight 0.10000E+01 volume 0.79823E-02 ppm1 1.688 ppm2 7.452 CV 1
OR { 229}
(( segid " " and resid 112 and name HB2 ))
(( segid " " and resid 112 and name HN ))
ASSI { 232}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HN ))
2.700 0.900 0.900 peak 232 spectrum 4 weight 0.10000E+01 volume 0.22292E-02 ppm1 1.690 ppm2 8.328 CV 1
ASSI { 233}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HN ))
2.700 0.900 0.900 peak 233 spectrum 4 weight 0.10000E+01 volume 0.17189E-02 ppm1 1.694 ppm2 8.383 CV 1
ASSI { 234}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 58 and name HN ))
3.100 1.200 1.200 peak 234 spectrum 4 weight 0.10000E+01 volume 0.82539E-03 ppm1 1.702 ppm2 8.640 CV 1
ASSI { 235}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 109 and name HN ))
1.800 1.800 4.200 peak 235 spectrum 4 weight 0.10000E+01 volume 0.78771E-02 ppm1 1.742 ppm2 7.208 CV 1
OR { 235}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 109 and name HN ))
OR { 235}
(( segid " " and resid 114 and name HD2 ))
(( segid " " and resid 109 and name HN ))
ASSI { 236}
(( segid " " and resid 114 and name HB2 ))
(( segid " " and resid 114 and name HN ))
2.700 0.900 0.900 peak 236 spectrum 4 weight 0.10000E+01 volume 0.47568E-02 ppm1 1.742 ppm2 8.120 CV 1
OR { 236}
(( segid " " and resid 114 and name HB3 ))
(( segid " " and resid 114 and name HN ))
ASSI { 241}
(( segid " " and resid 82 and name HB3 ))
(( segid " " and resid 82 and name HD21))
3.100 1.200 1.200 peak 241 spectrum 4 weight 0.10000E+01 volume 0.16470E-02 ppm1 1.758 ppm2 6.689 CV 1
ASSI { 242}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 47 and name HE1 ))
3.600 1.700 1.700 peak 242 spectrum 4 weight 0.10000E+01 volume 0.25443E-02 ppm1 1.772 ppm2 8.666 CV 1
ASSI { 245}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HN ))
2.800 1.000 1.000 peak 245 spectrum 4 weight 0.10000E+01 volume 0.25655E-02 ppm1 1.792 ppm2 8.130 CV 1
ASSI { 247}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 247 spectrum 4 weight 0.10000E+01 volume 0.48328E-02 ppm1 1.809 ppm2 8.431 CV 1
ASSI { 248}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HN ))
2.400 0.700 0.700 peak 248 spectrum 4 weight 0.10000E+01 volume 0.38221E-02 ppm1 1.809 ppm2 6.622 CV 1
ASSI { 251}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
4.000 2.000 2.000 peak 251 spectrum 4 weight 0.10000E+01 volume 0.99988E-03 ppm1 1.826 ppm2 7.395 CV 1
ASSI { 252}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HN ))
3.700 1.700 1.700 peak 252 spectrum 4 weight 0.10000E+01 volume 0.24543E-02 ppm1 1.833 ppm2 7.753 CV 1
ASSI { 253}
(( segid " " and resid 97 and name HG2 ))
(( segid " " and resid 97 and name HN ))
2.300 0.700 0.700 peak 253 spectrum 4 weight 0.10000E+01 volume 0.13117E-01 ppm1 1.834 ppm2 7.190 CV 1
OR { 253}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 97 and name HN ))
OR { 253}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 97 and name HN ))
ASSI { 258}
(( segid " " and resid 81 and name HB3 ))
(( segid " " and resid 80 and name HN ))
4.600 2.700 1.400 peak 258 spectrum 4 weight 0.10000E+01 volume 0.59033E-03 ppm1 1.835 ppm2 7.834 CV 1
OR { 258}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 80 and name HN ))
ASSI { 261}
(( segid " " and resid 81 and name HB3 ))
(( segid " " and resid 81 and name HN ))
2.200 0.600 0.600 peak 261 spectrum 4 weight 0.10000E+01 volume 0.14282E-01 ppm1 1.856 ppm2 8.522 CV 1
OR { 261}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 81 and name HN ))
ASSI { 263}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 45 and name HN ))
3.700 1.700 1.700 peak 263 spectrum 4 weight 0.10000E+01 volume 0.18269E-02 ppm1 1.863 ppm2 7.031 CV 1
ASSI { 265}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 98 and name HN ))
2.900 1.000 1.000 peak 265 spectrum 4 weight 0.10000E+01 volume 0.37390E-02 ppm1 1.870 ppm2 7.420 CV 1
OR { 265}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 98 and name HN ))
ASSI { 266}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 266 spectrum 4 weight 0.10000E+01 volume 0.49988E-02 ppm1 1.873 ppm2 8.176 CV 1
OR { 266}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
ASSI { 268}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HN ))
4.200 2.200 1.800 peak 268 spectrum 4 weight 0.10000E+01 volume 0.99664E-03 ppm1 1.877 ppm2 8.408 CV 1
ASSI { 269}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HN ))
2.600 0.900 0.900 peak 269 spectrum 4 weight 0.10000E+01 volume 0.47117E-02 ppm1 1.889 ppm2 7.543 CV 1
OR { 269}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 111 and name HN ))
ASSI { 273}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 34 and name HN ))
4.300 2.300 1.700 peak 273 spectrum 4 weight 0.10000E+01 volume 0.93206E-03 ppm1 1.909 ppm2 9.701 CV 1
ASSI { 276}
(( segid " " and resid 59 and name HD3 ))
(( segid " " and resid 59 and name HN ))
3.400 1.400 1.400 peak 276 spectrum 4 weight 0.10000E+01 volume 0.20015E-02 ppm1 1.913 ppm2 8.890 CV 1
OR { 276}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 277}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.700 0.900 0.900 peak 277 spectrum 4 weight 0.10000E+01 volume 0.50243E-02 ppm1 1.936 ppm2 7.590 CV 1
OR { 277}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
ASSI { 279}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.200 0.600 0.600 peak 279 spectrum 4 weight 0.10000E+01 volume 0.13601E-01 ppm1 1.954 ppm2 8.364 CV 1
OR { 279}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 282}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 282 spectrum 4 weight 0.10000E+01 volume 0.21543E-02 ppm1 1.957 ppm2 8.325 CV 1
OR { 282}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 288}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HE21))
4.100 2.100 1.900 peak 288 spectrum 4 weight 0.10000E+01 volume 0.41344E-03 ppm1 1.965 ppm2 6.658 CV 1
ASSI { 290}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HN ))
3.500 1.500 1.500 peak 290 spectrum 4 weight 0.10000E+01 volume 0.23846E-02 ppm1 1.971 ppm2 8.895 CV 1
ASSI { 291}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.300 1.400 1.400 peak 291 spectrum 4 weight 0.10000E+01 volume 0.14995E-02 ppm1 1.972 ppm2 8.113 CV 1
OR { 291}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 292}
(( segid " " and resid 117 and name HB3 ))
(( segid " " and resid 117 and name HN ))
2.800 1.000 1.000 peak 292 spectrum 4 weight 0.10000E+01 volume 0.44915E-02 ppm1 1.975 ppm2 8.569 CV 1
OR { 292}
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 117 and name HN ))
ASSI { 294}
(( segid " " and resid 120 and name HB ))
(( segid " " and resid 120 and name HN ))
3.300 1.400 1.400 peak 294 spectrum 4 weight 0.10000E+01 volume 0.13298E-02 ppm1 1.978 ppm2 8.121 CV 1
ASSI { 295}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 72 and name HN ))
2.300 0.700 0.700 peak 295 spectrum 4 weight 0.10000E+01 volume 0.11614E-01 ppm1 1.980 ppm2 8.384 CV 1
OR { 295}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HN ))
OR { 295}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HN ))
ASSI { 299}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 71 and name HN ))
4.000 2.000 2.000 peak 299 spectrum 4 weight 0.10000E+01 volume 0.83853E-03 ppm1 1.982 ppm2 7.266 CV 1
OR { 299}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 71 and name HN ))
ASSI { 300}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 60 and name HN ))
3.300 1.400 1.400 peak 300 spectrum 4 weight 0.10000E+01 volume 0.20221E-02 ppm1 2.000 ppm2 8.081 CV 1
ASSI { 301}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HE21))
2.800 1.000 1.000 peak 301 spectrum 4 weight 0.10000E+01 volume 0.27322E-02 ppm1 2.002 ppm2 6.369 CV 1
ASSI { 302}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HE22))
3.300 1.400 1.400 peak 302 spectrum 4 weight 0.10000E+01 volume 0.35285E-02 ppm1 2.009 ppm2 7.269 CV 1
ASSI { 303}
(( segid " " and resid 37 and name HG12))
(( segid " " and resid 37 and name HN ))
2.900 1.000 1.000 peak 303 spectrum 4 weight 0.10000E+01 volume 0.45797E-02 ppm1 2.011 ppm2 8.431 CV 1
ASSI { 304}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 48 and name HN ))
3.800 1.800 1.800 peak 304 spectrum 4 weight 0.10000E+01 volume 0.11807E-02 ppm1 2.029 ppm2 8.458 CV 1
ASSI { 305}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HE22))
5.100 3.300 0.900 peak 305 spectrum 4 weight 0.10000E+01 volume 0.71289E-03 ppm1 2.035 ppm2 7.304 CV 1
ASSI { 306}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HN ))
2.700 0.900 0.900 peak 306 spectrum 4 weight 0.10000E+01 volume 0.21374E-02 ppm1 2.035 ppm2 8.796 CV 1
ASSI { 307}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HN ))
2.900 1.100 1.100 peak 307 spectrum 4 weight 0.10000E+01 volume 0.40485E-02 ppm1 2.057 ppm2 7.794 CV 1
ASSI { 308}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.200 0.600 0.600 peak 308 spectrum 4 weight 0.10000E+01 volume 0.72665E-02 ppm1 2.058 ppm2 8.091 CV 1
ASSI { 309}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 62 and name HN ))
3.000 1.100 1.100 peak 309 spectrum 4 weight 0.10000E+01 volume 0.44726E-02 ppm1 2.062 ppm2 8.504 CV 1
ASSI { 310}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 50 and name HN ))
3.700 1.700 1.700 peak 310 spectrum 4 weight 0.10000E+01 volume 0.64934E-03 ppm1 2.093 ppm2 8.355 CV 1
ASSI { 311}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.100 1.200 1.200 peak 311 spectrum 4 weight 0.10000E+01 volume 0.18380E-02 ppm1 2.093 ppm2 7.142 CV 1
ASSI { 312}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
2.400 0.700 0.700 peak 312 spectrum 4 weight 0.10000E+01 volume 0.54587E-02 ppm1 2.098 ppm2 8.234 CV 1
ASSI { 314}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 45 and name HN ))
3.300 1.400 1.400 peak 314 spectrum 4 weight 0.10000E+01 volume 0.14753E-02 ppm1 2.142 ppm2 7.031 CV 1
ASSI { 315}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HN ))
3.300 1.300 1.300 peak 315 spectrum 4 weight 0.10000E+01 volume 0.70610E-03 ppm1 2.143 ppm2 8.408 CV 1
ASSI { 316}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HN ))
3.800 1.800 1.800 peak 316 spectrum 4 weight 0.10000E+01 volume 0.20108E-02 ppm1 2.147 ppm2 8.177 CV 1
OR { 316}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HN ))
ASSI { 318}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 318 spectrum 4 weight 0.10000E+01 volume 0.22002E-02 ppm1 2.157 ppm2 8.985 CV 1
OR { 318}
(( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 103 and name HN ))
ASSI { 321}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 104 and name HN ))
2.600 0.800 0.800 peak 321 spectrum 4 weight 0.10000E+01 volume 0.43206E-02 ppm1 2.160 ppm2 8.727 CV 1
OR { 321}
(( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 104 and name HN ))
ASSI { 322}
(( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 107 and name HN ))
3.700 3.700 2.300 peak 322 spectrum 4 weight 0.10000E+01 volume 0.12281E-02 ppm1 2.173 ppm2 10.915 CV 1
OR { 322}
(( segid " " and resid 103 and name HG3 ))
(( segid " " and resid 107 and name HN ))
ASSI { 323}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 82 and name HD22))
3.700 1.700 1.700 peak 323 spectrum 4 weight 0.10000E+01 volume 0.22984E-02 ppm1 2.179 ppm2 7.411 CV 1
ASSI { 324}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 83 and name HN ))
3.700 1.700 1.700 peak 324 spectrum 4 weight 0.10000E+01 volume 0.16694E-02 ppm1 2.188 ppm2 7.974 CV 1
ASSI { 325}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HN ))
3.100 1.200 1.200 peak 325 spectrum 4 weight 0.10000E+01 volume 0.15336E-02 ppm1 2.190 ppm2 8.896 CV 1
ASSI { 326}
(( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 82 and name HD21))
2.900 1.100 1.100 peak 326 spectrum 4 weight 0.10000E+01 volume 0.18207E-02 ppm1 2.191 ppm2 6.691 CV 1
ASSI { 327}
(( segid " " and resid 95 and name HB3 ))
(( segid " " and resid 96 and name HN ))
2.700 0.900 0.900 peak 327 spectrum 4 weight 0.10000E+01 volume 0.30246E-02 ppm1 2.193 ppm2 8.211 CV 1
ASSI { 330}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HD22))
4.300 2.400 1.700 peak 330 spectrum 4 weight 0.10000E+01 volume 0.74107E-03 ppm1 2.220 ppm2 6.484 CV 1
ASSI { 331}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 79 and name HN ))
3.900 1.900 1.900 peak 331 spectrum 4 weight 0.10000E+01 volume 0.93275E-03 ppm1 2.221 ppm2 8.306 CV 1
ASSI { 332}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HD21))
3.700 1.700 1.700 peak 332 spectrum 4 weight 0.10000E+01 volume 0.75059E-03 ppm1 2.222 ppm2 7.418 CV 1
ASSI { 334}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HN ))
2.800 1.000 1.000 peak 334 spectrum 4 weight 0.10000E+01 volume 0.46700E-02 ppm1 2.224 ppm2 8.272 CV 1
ASSI { 336}
(( segid " " and resid 81 and name HG3 ))
(( segid " " and resid 81 and name HN ))
3.100 1.200 1.200 peak 336 spectrum 4 weight 0.10000E+01 volume 0.44704E-02 ppm1 2.228 ppm2 8.521 CV 1
OR { 336}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HN ))
ASSI { 338}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HN ))
2.800 0.900 0.900 peak 338 spectrum 4 weight 0.10000E+01 volume 0.33264E-02 ppm1 2.231 ppm2 8.363 CV 1
OR { 338}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HN ))
ASSI { 340}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 76 and name HN ))
4.000 2.000 2.000 peak 340 spectrum 4 weight 0.10000E+01 volume 0.51828E-03 ppm1 2.233 ppm2 9.326 CV 1
ASSI { 343}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HN ))
3.800 1.800 1.800 peak 343 spectrum 4 weight 0.10000E+01 volume 0.73636E-03 ppm1 2.251 ppm2 8.325 CV 1
OR { 343}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 345}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.600 0.800 0.800 peak 345 spectrum 4 weight 0.10000E+01 volume 0.38068E-02 ppm1 2.253 ppm2 7.754 CV 1
ASSI { 347}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 94 and name HN ))
2.200 0.600 0.600 peak 347 spectrum 4 weight 0.10000E+01 volume 0.13647E-01 ppm1 2.266 ppm2 9.033 CV 1
OR { 347}
(( segid " " and resid 94 and name HB3 ))
(( segid " " and resid 94 and name HN ))
ASSI { 350}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 70 and name HN ))
2.700 0.900 0.900 peak 350 spectrum 4 weight 0.10000E+01 volume 0.48842E-02 ppm1 2.275 ppm2 9.218 CV 1
ASSI { 351}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 37 and name HN ))
2.900 1.100 1.100 peak 351 spectrum 4 weight 0.10000E+01 volume 0.36129E-02 ppm1 2.282 ppm2 8.431 CV 1
OR { 351}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
OR { 351}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
ASSI { 352}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.400 0.700 0.700 peak 352 spectrum 4 weight 0.10000E+01 volume 0.87751E-02 ppm1 2.283 ppm2 7.590 CV 1
OR { 352}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
ASSI { 355}
(( segid " " and resid 117 and name HG2 ))
(( segid " " and resid 117 and name HN ))
3.300 1.400 1.400 peak 355 spectrum 4 weight 0.10000E+01 volume 0.15859E-02 ppm1 2.295 ppm2 8.568 CV 1
OR { 355}
(( segid " " and resid 117 and name HG3 ))
(( segid " " and resid 117 and name HN ))
ASSI { 357}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 357 spectrum 4 weight 0.10000E+01 volume 0.34077E-02 ppm1 2.316 ppm2 9.093 CV 1
OR { 357}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 33 and name HN ))
OR { 357}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 33 and name HN ))
ASSI { 358}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 73 and name HN ))
3.400 1.400 1.400 peak 358 spectrum 4 weight 0.10000E+01 volume 0.50449E-02 ppm1 2.337 ppm2 8.115 CV 1
OR { 358}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HN ))
ASSI { 360}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 85 and name HN ))
3.200 1.300 1.300 peak 360 spectrum 4 weight 0.10000E+01 volume 0.34117E-02 ppm1 2.376 ppm2 8.933 CV 1
ASSI { 361}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HN ))
3.000 1.100 1.100 peak 361 spectrum 4 weight 0.10000E+01 volume 0.34369E-02 ppm1 2.380 ppm2 8.756 CV 1
ASSI { 363}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.600 1.600 1.600 peak 363 spectrum 4 weight 0.10000E+01 volume 0.20733E-02 ppm1 2.390 ppm2 8.601 CV 1
ASSI { 364}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 111 and name HN ))
3.900 1.900 1.900 peak 364 spectrum 4 weight 0.10000E+01 volume 0.50828E-03 ppm1 2.398 ppm2 7.543 CV 1
ASSI { 366}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HN ))
2.200 0.600 0.600 peak 366 spectrum 4 weight 0.10000E+01 volume 0.10022E-01 ppm1 2.421 ppm2 8.475 CV 1
ASSI { 369}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 61 and name HN ))
1.900 0.500 0.500 peak 369 spectrum 4 weight 0.10000E+01 volume 0.14351E-01 ppm1 2.429 ppm2 7.794 CV 1
OR { 369}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HN ))
ASSI { 372}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 96 and name HN ))
3.600 1.700 1.700 peak 372 spectrum 4 weight 0.10000E+01 volume 0.25859E-02 ppm1 2.477 ppm2 8.210 CV 1
ASSI { 373}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HN ))
2.200 0.600 0.600 peak 373 spectrum 4 weight 0.10000E+01 volume 0.80499E-02 ppm1 2.482 ppm2 9.522 CV 1
ASSI { 375}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 39 and name HN ))
4.500 2.500 1.500 peak 375 spectrum 4 weight 0.10000E+01 volume 0.96068E-03 ppm1 2.497 ppm2 7.141 CV 1
OR { 375}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 376}
(( segid " " and resid 71 and name HG ))
(( segid " " and resid 71 and name HN ))
2.900 1.100 1.100 peak 376 spectrum 4 weight 0.10000E+01 volume 0.12112E-02 ppm1 2.501 ppm2 7.265 CV 1
ASSI { 378}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 99 and name HN ))
3.100 1.200 1.200 peak 378 spectrum 4 weight 0.10000E+01 volume 0.45339E-02 ppm1 2.516 ppm2 7.288 CV 1
ASSI { 381}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 100 and name HN ))
3.900 1.900 1.900 peak 381 spectrum 4 weight 0.10000E+01 volume 0.11091E-02 ppm1 2.521 ppm2 6.818 CV 1
ASSI { 382}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HE21))
3.000 1.100 1.100 peak 382 spectrum 4 weight 0.10000E+01 volume 0.19592E-02 ppm1 2.521 ppm2 6.658 CV 1
OR { 382}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HE21))
ASSI { 383}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HE22))
3.600 1.700 1.700 peak 383 spectrum 4 weight 0.10000E+01 volume 0.24375E-02 ppm1 2.524 ppm2 7.299 CV 1
OR { 383}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HE22))
ASSI { 385}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HN ))
2.600 0.800 0.800 peak 385 spectrum 4 weight 0.10000E+01 volume 0.61698E-02 ppm1 2.536 ppm2 9.526 CV 1
OR { 385}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HN ))
OR { 385}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HN ))
ASSI { 389}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HN ))
2.400 0.700 0.700 peak 389 spectrum 4 weight 0.10000E+01 volume 0.63922E-02 ppm1 2.549 ppm2 8.081 CV 1
ASSI { 390}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 90 and name HN ))
4.500 2.500 1.500 peak 390 spectrum 4 weight 0.10000E+01 volume 0.50171E-03 ppm1 2.558 ppm2 9.256 CV 1
OR { 390}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 90 and name HN ))
ASSI { 392}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 105 and name HN ))
3.400 1.400 1.400 peak 392 spectrum 4 weight 0.10000E+01 volume 0.36568E-02 ppm1 2.565 ppm2 9.083 CV 1
ASSI { 398}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
2.900 1.000 1.000 peak 398 spectrum 4 weight 0.10000E+01 volume 0.19173E-02 ppm1 2.587 ppm2 8.599 CV 1
ASSI { 399}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 399 spectrum 4 weight 0.10000E+01 volume 0.13793E-02 ppm1 2.594 ppm2 9.698 CV 1
ASSI { 400}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.900 1.900 1.900 peak 400 spectrum 4 weight 0.10000E+01 volume 0.61287E-03 ppm1 2.604 ppm2 8.323 CV 1
OR { 400}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
ASSI { 406}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 62 and name HN ))
2.200 0.600 0.600 peak 406 spectrum 4 weight 0.10000E+01 volume 0.10680E-01 ppm1 2.620 ppm2 8.504 CV 1
OR { 406}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HN ))
ASSI { 412}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 72 and name HN ))
2.400 0.700 0.700 peak 412 spectrum 4 weight 0.10000E+01 volume 0.40952E-02 ppm1 2.629 ppm2 8.385 CV 1
ASSI { 413}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
3.600 1.700 1.700 peak 413 spectrum 4 weight 0.10000E+01 volume 0.19018E-02 ppm1 2.630 ppm2 8.049 CV 1
ASSI { 414}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HN ))
2.800 1.000 1.000 peak 414 spectrum 4 weight 0.10000E+01 volume 0.21928E-02 ppm1 2.631 ppm2 7.264 CV 1
ASSI { 415}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
3.600 1.600 1.600 peak 415 spectrum 4 weight 0.10000E+01 volume 0.13495E-02 ppm1 2.636 ppm2 8.177 CV 1
OR { 415}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
ASSI { 416}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HN ))
2.700 0.900 0.900 peak 416 spectrum 4 weight 0.10000E+01 volume 0.56455E-02 ppm1 2.670 ppm2 8.270 CV 1
ASSI { 417}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HN ))
4.100 2.100 1.900 peak 417 spectrum 4 weight 0.10000E+01 volume 0.10903E-02 ppm1 2.676 ppm2 8.787 CV 1
ASSI { 418}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 35 and name HN ))
4.000 2.000 2.000 peak 418 spectrum 4 weight 0.10000E+01 volume 0.11280E-02 ppm1 2.679 ppm2 8.361 CV 1
ASSI { 419}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 48 and name HN ))
2.600 0.900 0.900 peak 419 spectrum 4 weight 0.10000E+01 volume 0.18973E-02 ppm1 2.683 ppm2 8.457 CV 1
ASSI { 420}
(( segid " " and resid 124 and name HB3 ))
(( segid " " and resid 124 and name HN ))
3.900 1.900 1.900 peak 420 spectrum 4 weight 0.10000E+01 volume 0.56343E-03 ppm1 2.699 ppm2 8.369 CV 1
OR { 420}
(( segid " " and resid 124 and name HB2 ))
(( segid " " and resid 124 and name HN ))
ASSI { 422}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HN ))
3.200 1.300 1.300 peak 422 spectrum 4 weight 0.10000E+01 volume 0.15826E-02 ppm1 2.706 ppm2 7.588 CV 1
ASSI { 423}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 79 and name HN ))
4.400 2.500 1.600 peak 423 spectrum 4 weight 0.10000E+01 volume 0.62190E-03 ppm1 2.719 ppm2 8.304 CV 1
ASSI { 424}
(( segid " " and resid 113 and name HB3 ))
(( segid " " and resid 113 and name HD21))
3.400 1.400 1.400 peak 424 spectrum 4 weight 0.10000E+01 volume 0.98858E-03 ppm1 2.741 ppm2 6.897 CV 1
ASSI { 425}
(( segid " " and resid 113 and name HB3 ))
(( segid " " and resid 113 and name HD22))
4.200 2.200 1.800 peak 425 spectrum 4 weight 0.10000E+01 volume 0.10605E-02 ppm1 2.748 ppm2 7.532 CV 1
ASSI { 426}
(( segid " " and resid 93 and name HG3 ))
(( segid " " and resid 93 and name HN ))
2.900 1.000 1.000 peak 426 spectrum 4 weight 0.10000E+01 volume 0.20347E-02 ppm1 2.778 ppm2 9.144 CV 1
ASSI { 427}
(( segid " " and resid 113 and name HB3 ))
(( segid " " and resid 113 and name HN ))
2.900 1.100 1.100 peak 427 spectrum 4 weight 0.10000E+01 volume 0.34248E-02 ppm1 2.779 ppm2 7.974 CV 1
ASSI { 428}
(( segid " " and resid 113 and name HB3 ))
(( segid " " and resid 114 and name HN ))
3.500 1.500 1.500 peak 428 spectrum 4 weight 0.10000E+01 volume 0.12200E-02 ppm1 2.781 ppm2 8.115 CV 1
ASSI { 430}
(( segid " " and resid 109 and name HD2 ))
(( segid " " and resid 109 and name HN ))
3.600 1.600 1.600 peak 430 spectrum 4 weight 0.10000E+01 volume 0.18517E-02 ppm1 2.784 ppm2 7.213 CV 1
ASSI { 431}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 431 spectrum 4 weight 0.10000E+01 volume 0.14356E-02 ppm1 2.795 ppm2 8.600 CV 1
ASSI { 432}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 432 spectrum 4 weight 0.10000E+01 volume 0.29738E-02 ppm1 2.802 ppm2 8.048 CV 1
ASSI { 433}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.300 1.400 1.400 peak 433 spectrum 4 weight 0.10000E+01 volume 0.14160E-02 ppm1 2.812 ppm2 9.698 CV 1
ASSI { 434}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HN ))
2.700 0.900 0.900 peak 434 spectrum 4 weight 0.10000E+01 volume 0.43558E-02 ppm1 2.814 ppm2 8.755 CV 1
ASSI { 435}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 69 and name HN ))
2.700 0.900 0.900 peak 435 spectrum 4 weight 0.10000E+01 volume 0.41546E-02 ppm1 2.818 ppm2 9.522 CV 1
OR { 435}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 69 and name HN ))
ASSI { 436}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 68 and name HN ))
2.800 1.000 1.000 peak 436 spectrum 4 weight 0.10000E+01 volume 0.41422E-02 ppm1 2.826 ppm2 9.891 CV 1
OR { 436}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HN ))
ASSI { 440}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HN ))
2.400 0.700 0.700 peak 440 spectrum 4 weight 0.10000E+01 volume 0.32305E-02 ppm1 2.831 ppm2 9.083 CV 1
ASSI { 441}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 61 and name HN ))
3.500 1.500 1.500 peak 441 spectrum 4 weight 0.10000E+01 volume 0.21725E-02 ppm1 2.839 ppm2 7.795 CV 1
ASSI { 442}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HN ))
2.400 0.700 0.700 peak 442 spectrum 4 weight 0.10000E+01 volume 0.51632E-02 ppm1 2.841 ppm2 8.080 CV 1
ASSI { 446}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HN ))
2.400 0.700 0.700 peak 446 spectrum 4 weight 0.10000E+01 volume 0.75754E-02 ppm1 2.866 ppm2 8.935 CV 1
ASSI { 447}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HN ))
2.600 0.900 0.900 peak 447 spectrum 4 weight 0.10000E+01 volume 0.34846E-02 ppm1 2.866 ppm2 8.100 CV 1
ASSI { 448}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 82 and name HN ))
3.800 1.800 1.800 peak 448 spectrum 4 weight 0.10000E+01 volume 0.15807E-02 ppm1 2.868 ppm2 7.654 CV 1
ASSI { 449}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
3.300 1.300 1.300 peak 449 spectrum 4 weight 0.10000E+01 volume 0.22326E-02 ppm1 2.882 ppm2 8.128 CV 1
ASSI { 451}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 80 and name HN ))
2.800 0.900 0.900 peak 451 spectrum 4 weight 0.10000E+01 volume 0.29417E-02 ppm1 2.892 ppm2 7.835 CV 1
ASSI { 452}
(( segid " " and resid 39 and name HE2 ))
(( segid " " and resid 39 and name HN ))
3.900 1.900 1.900 peak 452 spectrum 4 weight 0.10000E+01 volume 0.67014E-03 ppm1 2.893 ppm2 7.141 CV 1
OR { 452}
(( segid " " and resid 39 and name HE3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 454}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 57 and name HN ))
3.700 1.700 1.700 peak 454 spectrum 4 weight 0.10000E+01 volume 0.99415E-03 ppm1 2.894 ppm2 8.332 CV 1
ASSI { 456}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 47 and name HE1 ))
3.100 1.200 1.200 peak 456 spectrum 4 weight 0.10000E+01 volume 0.14702E-02 ppm1 2.896 ppm2 8.665 CV 1
ASSI { 457}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 58 and name HN ))
4.100 2.100 1.900 peak 457 spectrum 4 weight 0.10000E+01 volume 0.76545E-03 ppm1 2.906 ppm2 8.645 CV 1
ASSI { 458}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HD21))
3.300 1.300 1.300 peak 458 spectrum 4 weight 0.10000E+01 volume 0.98447E-03 ppm1 2.947 ppm2 7.417 CV 1
ASSI { 460}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 45 and name HN ))
5.100 3.200 0.900 peak 460 spectrum 4 weight 0.10000E+01 volume 0.51277E-03 ppm1 2.951 ppm2 7.033 CV 1
ASSI { 461}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HN ))
2.900 1.100 1.100 peak 461 spectrum 4 weight 0.10000E+01 volume 0.22117E-02 ppm1 2.952 ppm2 7.397 CV 1
ASSI { 463}
(( segid " " and resid 97 and name HE3 ))
(( segid " " and resid 97 and name HN ))
4.300 2.300 1.700 peak 463 spectrum 4 weight 0.10000E+01 volume 0.88408E-03 ppm1 2.952 ppm2 7.190 CV 1
OR { 463}
(( segid " " and resid 97 and name HE2 ))
(( segid " " and resid 97 and name HN ))
ASSI { 464}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HD22))
4.200 2.200 1.800 peak 464 spectrum 4 weight 0.10000E+01 volume 0.73873E-03 ppm1 2.954 ppm2 6.491 CV 1
ASSI { 468}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HN ))
4.200 2.200 1.800 peak 468 spectrum 4 weight 0.10000E+01 volume 0.13471E-02 ppm1 2.960 ppm2 8.457 CV 1
ASSI { 469}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HN ))
2.800 1.000 1.000 peak 469 spectrum 4 weight 0.10000E+01 volume 0.18756E-02 ppm1 2.962 ppm2 8.788 CV 1
ASSI { 470}
(( segid " " and resid 84 and name HG3 ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 470 spectrum 4 weight 0.10000E+01 volume 0.42969E-02 ppm1 2.995 ppm2 8.756 CV 1
ASSI { 471}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HN ))
2.400 0.800 0.800 peak 471 spectrum 4 weight 0.10000E+01 volume 0.10866E-01 ppm1 3.014 ppm2 8.931 CV 1
ASSI { 472}
(( segid " " and resid 111 and name HE3 ))
(( segid " " and resid 111 and name HN ))
3.000 3.000 3.000 peak 472 spectrum 4 weight 0.10000E+01 volume 0.41961E-03 ppm1 3.025 ppm2 7.541 CV 1
OR { 472}
(( segid " " and resid 111 and name HE2 ))
(( segid " " and resid 111 and name HN ))
ASSI { 474}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 94 and name HN ))
3.900 1.900 1.900 peak 474 spectrum 4 weight 0.10000E+01 volume 0.12054E-02 ppm1 3.036 ppm2 9.033 CV 1
ASSI { 475}
(( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HN ))
2.700 0.900 0.900 peak 475 spectrum 4 weight 0.10000E+01 volume 0.30339E-02 ppm1 3.042 ppm2 9.146 CV 1
ASSI { 476}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HN ))
3.500 1.500 1.500 peak 476 spectrum 4 weight 0.10000E+01 volume 0.15647E-02 ppm1 3.078 ppm2 9.221 CV 1
OR { 476}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HN ))
ASSI { 480}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
3.800 1.800 1.800 peak 480 spectrum 4 weight 0.10000E+01 volume 0.18315E-02 ppm1 3.108 ppm2 9.092 CV 1
ASSI { 482}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 482 spectrum 4 weight 0.10000E+01 volume 0.11188E-02 ppm1 3.115 ppm2 8.601 CV 1
ASSI { 483}
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 483 spectrum 4 weight 0.10000E+01 volume 0.28198E-02 ppm1 3.115 ppm2 8.757 CV 1
ASSI { 486}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HN ))
3.200 1.300 1.300 peak 486 spectrum 4 weight 0.10000E+01 volume 0.12293E-02 ppm1 3.119 ppm2 7.263 CV 1
ASSI { 487}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 487 spectrum 4 weight 0.10000E+01 volume 0.16351E-02 ppm1 3.120 ppm2 8.385 CV 1
ASSI { 492}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
3.700 1.700 1.700 peak 492 spectrum 4 weight 0.10000E+01 volume 0.11477E-02 ppm1 3.286 ppm2 7.492 CV 1
ASSI { 493}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HN ))
3.500 1.500 1.500 peak 493 spectrum 4 weight 0.10000E+01 volume 0.93698E-03 ppm1 3.345 ppm2 7.972 CV 1
ASSI { 495}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HN ))
3.900 1.900 1.900 peak 495 spectrum 4 weight 0.10000E+01 volume 0.13566E-02 ppm1 3.363 ppm2 8.383 CV 1
OR { 495}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HN ))
ASSI { 497}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HN ))
4.400 2.400 1.600 peak 497 spectrum 4 weight 0.10000E+01 volume 0.87184E-03 ppm1 3.394 ppm2 7.266 CV 1
ASSI { 498}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 101 and name HN ))
2.400 0.700 0.700 peak 498 spectrum 4 weight 0.10000E+01 volume 0.44442E-02 ppm1 3.421 ppm2 8.547 CV 1
ASSI { 499}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 102 and name HN ))
3.100 1.200 1.200 peak 499 spectrum 4 weight 0.10000E+01 volume 0.29772E-02 ppm1 3.428 ppm2 7.295 CV 1
ASSI { 500}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HN ))
2.600 0.800 0.800 peak 500 spectrum 4 weight 0.10000E+01 volume 0.32414E-02 ppm1 3.446 ppm2 6.818 CV 1
ASSI { 501}
(( segid " " and resid 110 and name HD3 ))
(( segid " " and resid 111 and name HN ))
4.600 2.600 1.400 peak 501 spectrum 4 weight 0.10000E+01 volume 0.67892E-03 ppm1 3.486 ppm2 7.543 CV 1
ASSI { 502}
(( segid " " and resid 96 and name HB3 ))
(( segid " " and resid 96 and name HN ))
2.600 0.800 0.800 peak 502 spectrum 4 weight 0.10000E+01 volume 0.31074E-02 ppm1 3.505 ppm2 8.211 CV 1
ASSI { 504}
(( segid " " and resid 110 and name HD3 ))
(( segid " " and resid 109 and name HN ))
2.600 0.800 0.800 peak 504 spectrum 4 weight 0.10000E+01 volume 0.27231E-02 ppm1 3.514 ppm2 7.213 CV 1
ASSI { 506}
(( segid " " and resid 77 and name HA2 ))
(( segid " " and resid 78 and name HN ))
2.400 0.700 0.700 peak 506 spectrum 4 weight 0.10000E+01 volume 0.70516E-02 ppm1 3.544 ppm2 8.272 CV 1
ASSI { 509}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 39 and name HN ))
3.800 1.800 1.800 peak 509 spectrum 4 weight 0.10000E+01 volume 0.74262E-03 ppm1 3.559 ppm2 7.138 CV 1
ASSI { 510}
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 56 and name HN ))
4.200 2.200 1.800 peak 510 spectrum 4 weight 0.10000E+01 volume 0.13039E-02 ppm1 3.559 ppm2 8.128 CV 1
ASSI { 511}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 511 spectrum 4 weight 0.10000E+01 volume 0.12513E-02 ppm1 3.562 ppm2 7.757 CV 1
ASSI { 512}
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 99 and name HN ))
2.300 0.700 0.700 peak 512 spectrum 4 weight 0.10000E+01 volume 0.48400E-02 ppm1 3.562 ppm2 7.287 CV 1
ASSI { 513}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
3.100 1.200 1.200 peak 513 spectrum 4 weight 0.10000E+01 volume 0.13391E-02 ppm1 3.566 ppm2 8.091 CV 1
ASSI { 514}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 514 spectrum 4 weight 0.10000E+01 volume 0.19004E-02 ppm1 3.585 ppm2 8.430 CV 1
ASSI { 515}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 47 and name HN ))
4.100 2.100 1.900 peak 515 spectrum 4 weight 0.10000E+01 volume 0.93483E-03 ppm1 3.619 ppm2 8.783 CV 1
ASSI { 516}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HN ))
2.700 0.900 0.900 peak 516 spectrum 4 weight 0.10000E+01 volume 0.41045E-02 ppm1 3.631 ppm2 8.830 CV 1
ASSI { 518}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HN ))
2.700 0.900 0.900 peak 518 spectrum 4 weight 0.10000E+01 volume 0.31601E-02 ppm1 3.671 ppm2 8.640 CV 1
ASSI { 519}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 107 and name HN ))
3.300 3.300 2.700 peak 519 spectrum 4 weight 0.10000E+01 volume 0.10791E-02 ppm1 3.678 ppm2 10.914 CV 1
ASSI { 520}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
3.800 1.800 1.800 peak 520 spectrum 4 weight 0.10000E+01 volume 0.52734E-03 ppm1 3.681 ppm2 8.893 CV 1
ASSI { 521}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HN ))
3.000 1.100 1.100 peak 521 spectrum 4 weight 0.10000E+01 volume 0.32261E-02 ppm1 3.688 ppm2 8.474 CV 1
ASSI { 522}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HN ))
3.000 1.100 1.100 peak 522 spectrum 4 weight 0.10000E+01 volume 0.13318E-02 ppm1 3.727 ppm2 9.081 CV 1
ASSI { 523}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.100 0.600 0.600 peak 523 spectrum 4 weight 0.10000E+01 volume 0.14099E-01 ppm1 3.740 ppm2 7.987 CV 1
ASSI { 524}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.700 0.900 0.900 peak 524 spectrum 4 weight 0.10000E+01 volume 0.43109E-02 ppm1 3.740 ppm2 7.679 CV 1
ASSI { 525}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HN ))
2.100 0.500 0.500 peak 525 spectrum 4 weight 0.10000E+01 volume 0.95084E-02 ppm1 3.744 ppm2 9.324 CV 1
ASSI { 527}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HN ))
2.300 0.700 0.700 peak 527 spectrum 4 weight 0.10000E+01 volume 0.73403E-02 ppm1 3.760 ppm2 6.875 CV 1
ASSI { 528}
(( segid " " and resid 93 and name HD3 ))
(( segid " " and resid 93 and name HN ))
3.800 1.800 1.800 peak 528 spectrum 4 weight 0.10000E+01 volume 0.10296E-02 ppm1 3.779 ppm2 9.147 CV 1
ASSI { 529}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HN ))
2.500 0.800 0.800 peak 529 spectrum 4 weight 0.10000E+01 volume 0.53693E-02 ppm1 3.783 ppm2 9.221 CV 1
ASSI { 531}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
3.000 1.100 1.100 peak 531 spectrum 4 weight 0.10000E+01 volume 0.28168E-02 ppm1 3.805 ppm2 8.235 CV 1
ASSI { 532}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HN ))
2.600 0.900 0.900 peak 532 spectrum 4 weight 0.10000E+01 volume 0.41036E-02 ppm1 3.820 ppm2 8.384 CV 1
ASSI { 533}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 95 and name HN ))
4.100 2.100 1.900 peak 533 spectrum 4 weight 0.10000E+01 volume 0.12736E-02 ppm1 3.821 ppm2 8.477 CV 1
OR { 533}
(( segid " " and resid 96 and name HB2 ))
(( segid " " and resid 95 and name HN ))
ASSI { 534}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HN ))
2.400 0.700 0.700 peak 534 spectrum 4 weight 0.10000E+01 volume 0.78737E-02 ppm1 3.833 ppm2 8.211 CV 1
OR { 534}
(( segid " " and resid 96 and name HB2 ))
(( segid " " and resid 96 and name HN ))
ASSI { 536}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HN ))
2.700 0.900 0.900 peak 536 spectrum 4 weight 0.10000E+01 volume 0.33052E-02 ppm1 3.850 ppm2 7.835 CV 1
ASSI { 537}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HN ))
2.600 0.800 0.800 peak 537 spectrum 4 weight 0.10000E+01 volume 0.64834E-02 ppm1 3.866 ppm2 7.420 CV 1
ASSI { 538}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HN ))
2.700 0.900 0.900 peak 538 spectrum 4 weight 0.10000E+01 volume 0.32454E-02 ppm1 3.868 ppm2 7.287 CV 1
ASSI { 539}
(( segid " " and resid 76 and name HA1 ))
(( segid " " and resid 76 and name HN ))
2.400 0.700 0.700 peak 539 spectrum 4 weight 0.10000E+01 volume 0.50950E-02 ppm1 3.876 ppm2 9.323 CV 1
ASSI { 541}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 82 and name HN ))
3.300 1.400 1.400 peak 541 spectrum 4 weight 0.10000E+01 volume 0.16227E-02 ppm1 3.900 ppm2 7.654 CV 1
ASSI { 543}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 83 and name HN ))
4.000 2.000 2.000 peak 543 spectrum 4 weight 0.10000E+01 volume 0.56418E-03 ppm1 3.910 ppm2 7.968 CV 1
ASSI { 544}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
3.100 1.200 1.200 peak 544 spectrum 4 weight 0.10000E+01 volume 0.18074E-02 ppm1 3.924 ppm2 7.031 CV 1
ASSI { 546}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 546 spectrum 4 weight 0.10000E+01 volume 0.24850E-02 ppm1 3.931 ppm2 9.699 CV 1
ASSI { 547}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 547 spectrum 4 weight 0.10000E+01 volume 0.23479E-02 ppm1 3.951 ppm2 8.431 CV 1
ASSI { 548}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 548 spectrum 4 weight 0.10000E+01 volume 0.75685E-02 ppm1 3.962 ppm2 7.399 CV 1
ASSI { 549}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HN ))
2.500 0.800 0.800 peak 549 spectrum 4 weight 0.10000E+01 volume 0.80733E-02 ppm1 3.973 ppm2 8.115 CV 1
ASSI { 551}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HN ))
2.500 0.800 0.800 peak 551 spectrum 4 weight 0.10000E+01 volume 0.54036E-02 ppm1 4.003 ppm2 7.190 CV 1
ASSI { 552}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 42 and name HN ))
3.200 1.300 1.300 peak 552 spectrum 4 weight 0.10000E+01 volume 0.17416E-02 ppm1 4.006 ppm2 7.494 CV 1
ASSI { 553}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.600 0.900 0.900 peak 553 spectrum 4 weight 0.10000E+01 volume 0.48543E-02 ppm1 4.008 ppm2 7.141 CV 1
ASSI { 554}
(( segid " " and resid 102 and name HA2 ))
(( segid " " and resid 103 and name HN ))
2.500 0.800 0.800 peak 554 spectrum 4 weight 0.10000E+01 volume 0.42253E-02 ppm1 4.022 ppm2 8.984 CV 1
ASSI { 555}
(( segid " " and resid 102 and name HA2 ))
(( segid " " and resid 102 and name HN ))
2.600 0.900 0.900 peak 555 spectrum 4 weight 0.10000E+01 volume 0.40186E-02 ppm1 4.025 ppm2 7.296 CV 1
ASSI { 558}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 558 spectrum 4 weight 0.10000E+01 volume 0.35543E-02 ppm1 4.038 ppm2 7.985 CV 1
ASSI { 559}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HN ))
2.400 0.700 0.700 peak 559 spectrum 4 weight 0.10000E+01 volume 0.51725E-02 ppm1 4.040 ppm2 8.794 CV 1
ASSI { 560}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HN ))
3.000 1.100 1.100 peak 560 spectrum 4 weight 0.10000E+01 volume 0.15793E-02 ppm1 4.040 ppm2 8.242 CV 1
ASSI { 561}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.300 0.600 0.600 peak 561 spectrum 4 weight 0.10000E+01 volume 0.11710E-01 ppm1 4.041 ppm2 8.049 CV 1
ASSI { 562}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HN ))
3.600 1.600 1.600 peak 562 spectrum 4 weight 0.10000E+01 volume 0.78983E-03 ppm1 4.076 ppm2 7.263 CV 1
ASSI { 563}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HN ))
2.600 0.900 0.900 peak 563 spectrum 4 weight 0.10000E+01 volume 0.48474E-02 ppm1 4.083 ppm2 9.218 CV 1
ASSI { 564}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HN ))
2.900 1.000 1.000 peak 564 spectrum 4 weight 0.10000E+01 volume 0.22172E-02 ppm1 4.085 ppm2 7.213 CV 1
ASSI { 565}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HE22))
4.400 2.400 1.600 peak 565 spectrum 4 weight 0.10000E+01 volume 0.64840E-03 ppm1 4.133 ppm2 7.263 CV 1
ASSI { 566}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HN ))
2.600 0.900 0.900 peak 566 spectrum 4 weight 0.10000E+01 volume 0.43265E-02 ppm1 4.135 ppm2 6.620 CV 1
ASSI { 567}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HE21))
3.700 1.800 1.800 peak 567 spectrum 4 weight 0.10000E+01 volume 0.59840E-03 ppm1 4.138 ppm2 6.368 CV 1
ASSI { 568}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HN ))
2.900 1.000 1.000 peak 568 spectrum 4 weight 0.10000E+01 volume 0.40363E-02 ppm1 4.144 ppm2 6.875 CV 1
ASSI { 569}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HN ))
2.900 1.100 1.100 peak 569 spectrum 4 weight 0.10000E+01 volume 0.22787E-02 ppm1 4.149 ppm2 7.543 CV 1
ASSI { 570}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 570 spectrum 4 weight 0.10000E+01 volume 0.25379E-02 ppm1 4.152 ppm2 8.211 CV 1
ASSI { 573}
(( segid " " and resid 77 and name HA1 ))
(( segid " " and resid 78 and name HN ))
2.700 0.900 0.900 peak 573 spectrum 4 weight 0.10000E+01 volume 0.60310E-02 ppm1 4.182 ppm2 8.272 CV 1
ASSI { 574}
(( segid " " and resid 77 and name HA1 ))
(( segid " " and resid 77 and name HN ))
2.400 0.700 0.700 peak 574 spectrum 4 weight 0.10000E+01 volume 0.44853E-02 ppm1 4.183 ppm2 7.365 CV 1
ASSI { 576}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.900 1.000 1.000 peak 576 spectrum 4 weight 0.10000E+01 volume 0.33759E-02 ppm1 4.197 ppm2 8.178 CV 1
ASSI { 577}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HN ))
2.900 1.100 1.100 peak 577 spectrum 4 weight 0.10000E+01 volume 0.24794E-02 ppm1 4.198 ppm2 8.824 CV 1
ASSI { 578}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
2.200 0.600 0.600 peak 578 spectrum 4 weight 0.10000E+01 volume 0.13755E-01 ppm1 4.203 ppm2 7.678 CV 1
ASSI { 579}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HN ))
2.600 0.800 0.800 peak 579 spectrum 4 weight 0.10000E+01 volume 0.43194E-02 ppm1 4.206 ppm2 9.522 CV 1
ASSI { 581}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HN ))
3.400 1.400 1.400 peak 581 spectrum 4 weight 0.10000E+01 volume 0.11367E-02 ppm1 4.238 ppm2 11.662 CV 1
ASSI { 583}
(( segid " " and resid 112 and name HA ))
(( segid " " and resid 112 and name HN ))
2.800 1.000 1.000 peak 583 spectrum 4 weight 0.10000E+01 volume 0.29695E-02 ppm1 4.242 ppm2 7.451 CV 1
ASSI { 584}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 42 and name HN ))
3.200 1.300 1.300 peak 584 spectrum 4 weight 0.10000E+01 volume 0.18486E-02 ppm1 4.243 ppm2 7.489 CV 1
ASSI { 585}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HN ))
2.400 0.700 0.700 peak 585 spectrum 4 weight 0.10000E+01 volume 0.62492E-02 ppm1 4.244 ppm2 9.032 CV 1
ASSI { 586}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
2.300 0.700 0.700 peak 586 spectrum 4 weight 0.10000E+01 volume 0.77469E-02 ppm1 4.250 ppm2 8.785 CV 1
ASSI { 587}
(( segid " " and resid 121 and name HA ))
(( segid " " and resid 121 and name HN ))
3.100 1.200 1.200 peak 587 spectrum 4 weight 0.10000E+01 volume 0.22176E-02 ppm1 4.258 ppm2 8.218 CV 1
ASSI { 589}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HN ))
2.900 1.100 1.100 peak 589 spectrum 4 weight 0.10000E+01 volume 0.23835E-02 ppm1 4.261 ppm2 8.828 CV 1
ASSI { 590}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
2.900 1.000 1.000 peak 590 spectrum 4 weight 0.10000E+01 volume 0.24887E-02 ppm1 4.265 ppm2 8.329 CV 1
ASSI { 592}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 59 and name HN ))
3.100 1.200 1.200 peak 592 spectrum 4 weight 0.10000E+01 volume 0.18292E-02 ppm1 4.286 ppm2 8.894 CV 1
ASSI { 593}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.700 0.900 0.900 peak 593 spectrum 4 weight 0.10000E+01 volume 0.50231E-02 ppm1 4.288 ppm2 8.326 CV 1
ASSI { 594}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HN ))
2.700 0.900 0.900 peak 594 spectrum 4 weight 0.10000E+01 volume 0.44673E-02 ppm1 4.304 ppm2 7.654 CV 1
ASSI { 597}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HD21))
3.800 1.800 1.800 peak 597 spectrum 4 weight 0.10000E+01 volume 0.10302E-02 ppm1 4.308 ppm2 6.690 CV 1
ASSI { 598}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 83 and name HN ))
3.200 1.300 1.300 peak 598 spectrum 4 weight 0.10000E+01 volume 0.17043E-02 ppm1 4.312 ppm2 7.972 CV 1
ASSI { 599}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 40 and name HN ))
3.300 1.400 1.400 peak 599 spectrum 4 weight 0.10000E+01 volume 0.10469E-02 ppm1 4.314 ppm2 7.753 CV 1
ASSI { 600}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HD22))
4.000 2.000 2.000 peak 600 spectrum 4 weight 0.10000E+01 volume 0.13546E-02 ppm1 4.314 ppm2 7.410 CV 1
ASSI { 602}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 602 spectrum 4 weight 0.10000E+01 volume 0.12868E-02 ppm1 4.326 ppm2 7.141 CV 1
ASSI { 606}
(( segid " " and resid 102 and name HA1 ))
(( segid " " and resid 30 and name HN ))
3.600 1.600 1.600 peak 606 spectrum 4 weight 0.10000E+01 volume 0.73636E-03 ppm1 4.359 ppm2 7.984 CV 1
ASSI { 607}
(( segid " " and resid 102 and name HA1 ))
(( segid " " and resid 103 and name HN ))
2.800 1.000 1.000 peak 607 spectrum 4 weight 0.10000E+01 volume 0.44262E-02 ppm1 4.360 ppm2 8.985 CV 1
ASSI { 608}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
2.400 0.700 0.700 peak 608 spectrum 4 weight 0.10000E+01 volume 0.49586E-02 ppm1 4.365 ppm2 9.222 CV 1
ASSI { 609}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 609 spectrum 4 weight 0.10000E+01 volume 0.29826E-02 ppm1 4.381 ppm2 8.227 CV 1
ASSI { 610}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 87 and name HN ))
3.000 1.100 1.100 peak 610 spectrum 4 weight 0.10000E+01 volume 0.23057E-02 ppm1 4.382 ppm2 8.927 CV 1
ASSI { 611}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 52 and name HN ))
4.100 2.100 1.900 peak 611 spectrum 4 weight 0.10000E+01 volume 0.66752E-03 ppm1 4.384 ppm2 8.478 CV 1
ASSI { 612}
(( segid " " and resid 102 and name HA1 ))
(( segid " " and resid 102 and name HN ))
2.600 0.900 0.900 peak 612 spectrum 4 weight 0.10000E+01 volume 0.40939E-02 ppm1 4.391 ppm2 7.296 CV 1
ASSI { 614}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 76 and name HN ))
3.100 1.200 1.200 peak 614 spectrum 4 weight 0.10000E+01 volume 0.14529E-02 ppm1 4.407 ppm2 9.322 CV 1
ASSI { 616}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HN ))
2.500 0.800 0.800 peak 616 spectrum 4 weight 0.10000E+01 volume 0.80490E-02 ppm1 4.412 ppm2 8.569 CV 1
ASSI { 617}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HN ))
2.800 1.000 1.000 peak 617 spectrum 4 weight 0.10000E+01 volume 0.32190E-02 ppm1 4.414 ppm2 10.913 CV 1
ASSI { 620}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HN ))
2.700 0.900 0.900 peak 620 spectrum 4 weight 0.10000E+01 volume 0.22977E-02 ppm1 4.435 ppm2 8.457 CV 1
ASSI { 626}
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HN ))
3.900 1.900 1.900 peak 626 spectrum 4 weight 0.10000E+01 volume 0.12266E-02 ppm1 4.516 ppm2 11.661 CV 1
ASSI { 628}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 628 spectrum 4 weight 0.10000E+01 volume 0.13463E-02 ppm1 4.550 ppm2 8.599 CV 1
ASSI { 629}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.300 0.700 0.700 peak 629 spectrum 4 weight 0.10000E+01 volume 0.61758E-02 ppm1 4.553 ppm2 9.699 CV 1
ASSI { 630}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HN ))
2.900 1.000 1.000 peak 630 spectrum 4 weight 0.10000E+01 volume 0.22520E-02 ppm1 4.576 ppm2 8.724 CV 1
ASSI { 631}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 631 spectrum 4 weight 0.10000E+01 volume 0.25470E-02 ppm1 4.582 ppm2 9.094 CV 1
ASSI { 632}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 47 and name HN ))
3.500 1.600 1.600 peak 632 spectrum 4 weight 0.10000E+01 volume 0.82056E-03 ppm1 4.670 ppm2 8.787 CV 1
ASSI { 633}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HD21))
4.200 2.200 1.800 peak 633 spectrum 4 weight 0.10000E+01 volume 0.44919E-03 ppm1 4.670 ppm2 7.421 CV 1
ASSI { 634}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HN ))
2.400 0.700 0.700 peak 634 spectrum 4 weight 0.10000E+01 volume 0.70993E-02 ppm1 4.670 ppm2 9.255 CV 1
ASSI { 635}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.600 0.900 0.900 peak 635 spectrum 4 weight 0.10000E+01 volume 0.51881E-02 ppm1 4.671 ppm2 7.397 CV 1
ASSI { 636}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 38 and name HE21))
4.100 2.100 1.900 peak 636 spectrum 4 weight 0.10000E+01 volume 0.12686E-02 ppm1 4.673 ppm2 6.657 CV 1
ASSI { 637}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HD22))
5.000 3.100 1.000 peak 637 spectrum 4 weight 0.10000E+01 volume 0.41210E-03 ppm1 4.681 ppm2 6.488 CV 1
ASSI { 638}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
2.500 0.800 0.800 peak 638 spectrum 4 weight 0.10000E+01 volume 0.51043E-02 ppm1 4.752 ppm2 7.794 CV 1
ASSI { 639}
(( segid " " and resid 87 and name HA2 ))
(( segid " " and resid 87 and name HN ))
2.400 0.700 0.700 peak 639 spectrum 4 weight 0.10000E+01 volume 0.78139E-02 ppm1 4.816 ppm2 8.925 CV 1
ASSI { 642}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HN ))
2.600 0.900 0.900 peak 642 spectrum 4 weight 0.10000E+01 volume 0.58694E-02 ppm1 4.841 ppm2 8.933 CV 1
ASSI { 644}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 90 and name HN ))
2.900 1.100 1.100 peak 644 spectrum 4 weight 0.10000E+01 volume 0.28133E-02 ppm1 4.921 ppm2 9.255 CV 1
ASSI { 645}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HN ))
3.400 1.400 1.400 peak 645 spectrum 4 weight 0.10000E+01 volume 0.10843E-02 ppm1 4.927 ppm2 11.662 CV 1
ASSI { 646}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 58 and name HN ))
4.200 2.200 1.800 peak 646 spectrum 4 weight 0.10000E+01 volume 0.13951E-02 ppm1 4.949 ppm2 8.640 CV 1
ASSI { 647}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
2.300 0.700 0.700 peak 647 spectrum 4 weight 0.10000E+01 volume 0.52899E-02 ppm1 4.952 ppm2 8.360 CV 1
ASSI { 648}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 47 and name HE1 ))
3.800 1.800 1.800 peak 648 spectrum 4 weight 0.10000E+01 volume 0.17376E-02 ppm1 4.955 ppm2 8.667 CV 1
ASSI { 649}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HN ))
3.200 1.200 1.200 peak 649 spectrum 4 weight 0.10000E+01 volume 0.10964E-02 ppm1 4.956 ppm2 8.133 CV 1
ASSI { 650}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HN ))
2.300 0.700 0.700 peak 650 spectrum 4 weight 0.10000E+01 volume 0.67353E-02 ppm1 4.962 ppm2 8.331 CV 1
ASSI { 651}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HN ))
3.100 1.200 1.200 peak 651 spectrum 4 weight 0.10000E+01 volume 0.12476E-02 ppm1 4.964 ppm2 7.983 CV 1
ASSI { 652}
(( segid " " and resid 87 and name HA1 ))
(( segid " " and resid 88 and name HN ))
3.700 1.700 1.700 peak 652 spectrum 4 weight 0.10000E+01 volume 0.78267E-03 ppm1 5.034 ppm2 10.926 CV 1
ASSI { 653}
(( segid " " and resid 87 and name HA1 ))
(( segid " " and resid 87 and name HN ))
2.600 0.800 0.800 peak 653 spectrum 4 weight 0.10000E+01 volume 0.75897E-02 ppm1 5.064 ppm2 8.925 CV 1
ASSI { 654}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 54 and name HN ))
2.800 1.000 1.000 peak 654 spectrum 4 weight 0.10000E+01 volume 0.25542E-02 ppm1 5.077 ppm2 8.245 CV 1
ASSI { 655}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
3.100 1.200 1.200 peak 655 spectrum 4 weight 0.10000E+01 volume 0.20764E-02 ppm1 5.081 ppm2 7.491 CV 1
ASSI { 656}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HN ))
3.200 1.300 1.300 peak 656 spectrum 4 weight 0.10000E+01 volume 0.11736E-02 ppm1 5.089 ppm2 8.988 CV 1
ASSI { 657}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
3.200 1.200 1.200 peak 657 spectrum 4 weight 0.10000E+01 volume 0.14917E-02 ppm1 5.098 ppm2 8.599 CV 1
ASSI { 658}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.300 0.700 0.700 peak 658 spectrum 4 weight 0.10000E+01 volume 0.90282E-02 ppm1 5.101 ppm2 9.093 CV 1
ASSI { 659}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HN ))
2.800 1.000 1.000 peak 659 spectrum 4 weight 0.10000E+01 volume 0.34416E-02 ppm1 5.138 ppm2 8.080 CV 1
ASSI { 660}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HN ))
3.000 1.100 1.100 peak 660 spectrum 4 weight 0.10000E+01 volume 0.22125E-02 ppm1 5.408 ppm2 8.758 CV 1
ASSI { 661}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 85 and name HN ))
3.200 1.300 1.300 peak 661 spectrum 4 weight 0.10000E+01 volume 0.16925E-02 ppm1 5.415 ppm2 8.932 CV 1
ASSI { 662}
(( segid " " and resid 67 and name HA1 ))
(( segid " " and resid 67 and name HN ))
3.100 1.200 1.200 peak 662 spectrum 4 weight 0.10000E+01 volume 0.12911E-02 ppm1 5.643 ppm2 10.285 CV 1
ASSI { 663}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 663 spectrum 4 weight 0.10000E+01 volume 0.58650E-02 ppm1 5.654 ppm2 8.600 CV 1
ASSI { 664}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 664 spectrum 4 weight 0.10000E+01 volume 0.15586E-02 ppm1 5.655 ppm2 8.052 CV 1
ASSI { 665}
(( segid " " and resid 67 and name HA1 ))
(( segid " " and resid 68 and name HN ))
2.600 0.800 0.800 peak 665 spectrum 4 weight 0.10000E+01 volume 0.40183E-02 ppm1 5.668 ppm2 9.891 CV 1
ASSI { 666}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HN ))
3.300 1.300 1.300 peak 666 spectrum 4 weight 0.10000E+01 volume 0.17881E-02 ppm1 5.738 ppm2 9.522 CV 1
ASSI { 668}
(( segid " " and resid 67 and name HA2 ))
(( segid " " and resid 68 and name HN ))
2.800 1.000 1.000 peak 668 spectrum 4 weight 0.10000E+01 volume 0.32654E-02 ppm1 5.972 ppm2 9.891 CV 1
ASSI { 669}
(( segid " " and resid 67 and name HA2 ))
(( segid " " and resid 67 and name HN ))
3.600 1.600 1.600 peak 669 spectrum 4 weight 0.10000E+01 volume 0.11380E-02 ppm1 5.976 ppm2 10.283 CV 1
ASSI { 670}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
3.100 1.200 1.200 peak 670 spectrum 4 weight 0.10000E+01 volume 0.13387E-02 ppm1 6.129 ppm2 8.784 CV 1
ASSI { 671}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 57 and name HN ))
3.400 1.500 1.500 peak 671 spectrum 4 weight 0.10000E+01 volume 0.21774E-02 ppm1 6.136 ppm2 8.328 CV 1
ASSI { 672}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HE1 ))
4.700 2.800 1.300 peak 672 spectrum 4 weight 0.10000E+01 volume 0.93075E-03 ppm1 6.150 ppm2 8.664 CV 1
ASSI { 675}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 103 and name HN ))
4.200 2.200 1.800 peak 675 spectrum 4 weight 0.10000E+01 volume 0.88290E-03 ppm1 6.500 ppm2 8.986 CV 1
ASSI { 677}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 100 and name HN ))
3.200 1.300 1.300 peak 677 spectrum 4 weight 0.10000E+01 volume 0.22441E-02 ppm1 6.514 ppm2 6.819 CV 1
OR { 677}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 100 and name HN ))
ASSI { 678}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 32 and name HN ))
4.600 2.700 1.400 peak 678 spectrum 4 weight 0.10000E+01 volume 0.51840E-03 ppm1 6.526 ppm2 8.594 CV 1
ASSI { 680}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 99 and name HN ))
3.500 1.600 1.600 peak 680 spectrum 4 weight 0.10000E+01 volume 0.21952E-02 ppm1 6.540 ppm2 7.288 CV 1
OR { 680}
( segid " " and resid 55 and name HE% )
(( segid " " and resid 99 and name HN ))
ASSI { 681}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 55 and name HN ))
2.600 0.800 0.800 peak 681 spectrum 4 weight 0.10000E+01 volume 0.36789E-02 ppm1 6.557 ppm2 8.792 CV 1
ASSI { 685}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 48 and name HN ))
4.100 2.100 1.900 peak 685 spectrum 4 weight 0.10000E+01 volume 0.99001E-03 ppm1 6.572 ppm2 8.457 CV 1
ASSI { 686}
( segid " " and resid 55 and name HD% )
(( segid " " and resid 56 and name HN ))
4.400 2.400 1.600 peak 686 spectrum 4 weight 0.10000E+01 volume 0.72466E-03 ppm1 6.576 ppm2 8.127 CV 1
ASSI { 687}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 75 and name HN ))
2.000 0.500 0.500 peak 687 spectrum 4 weight 0.10000E+01 volume 0.11803E-01 ppm1 6.601 ppm2 6.876 CV 1
ASSI { 688}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HN ))
2.400 0.700 0.700 peak 688 spectrum 4 weight 0.10000E+01 volume 0.54705E-02 ppm1 6.620 ppm2 8.115 CV 1
ASSI { 689}
(( segid " " and resid 47 and name HD1 ))
(( segid " " and resid 47 and name HN ))
3.600 1.600 1.600 peak 689 spectrum 4 weight 0.10000E+01 volume 0.11189E-02 ppm1 6.671 ppm2 8.785 CV 1
ASSI { 691}
(( segid " " and resid 47 and name HD1 ))
(( segid " " and resid 47 and name HE1 ))
2.200 0.600 0.600 peak 691 spectrum 4 weight 0.10000E+01 volume 0.13017E-01 ppm1 6.674 ppm2 8.666 CV 1
OR { 691}
(( segid " " and resid 47 and name HZ2 ))
(( segid " " and resid 47 and name HE1 ))
ASSI { 692}
(( segid " " and resid 47 and name HD1 ))
(( segid " " and resid 57 and name HN ))
3.400 1.400 1.400 peak 692 spectrum 4 weight 0.10000E+01 volume 0.14032E-02 ppm1 6.688 ppm2 8.330 CV 1
ASSI { 693}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HN ))
3.300 1.400 1.400 peak 693 spectrum 4 weight 0.10000E+01 volume 0.28204E-02 ppm1 6.793 ppm2 7.753 CV 1
ASSI { 694}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 39 and name HN ))
3.500 3.500 2.500 peak 694 spectrum 4 weight 0.10000E+01 volume 0.18903E-02 ppm1 6.810 ppm2 7.139 CV 1
ASSI { 695}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HN ))
1.800 0.400 0.400 peak 695 spectrum 4 weight 0.10000E+01 volume 0.70482E-02 ppm1 6.813 ppm2 7.289 CV 1
ASSI { 698}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 31 and name HN ))
3.200 1.300 1.300 peak 698 spectrum 4 weight 0.10000E+01 volume 0.14650E-02 ppm1 6.815 ppm2 8.052 CV 1
ASSI { 699}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 699 spectrum 4 weight 0.10000E+01 volume 0.16232E-02 ppm1 6.827 ppm2 8.984 CV 1
ASSI { 702}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 33 and name HN ))
3.500 1.500 1.500 peak 702 spectrum 4 weight 0.10000E+01 volume 0.14936E-02 ppm1 6.852 ppm2 9.094 CV 1
ASSI { 703}
(( segid " " and resid 105 and name HD2 ))
(( segid " " and resid 105 and name HN ))
4.100 2.100 1.900 peak 703 spectrum 4 weight 0.10000E+01 volume 0.67188E-03 ppm1 6.855 ppm2 9.085 CV 1
ASSI { 708}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
2.700 0.900 0.900 peak 708 spectrum 4 weight 0.10000E+01 volume 0.24162E-02 ppm1 7.136 ppm2 8.090 CV 1
ASSI { 709}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
2.500 0.800 0.800 peak 709 spectrum 4 weight 0.10000E+01 volume 0.49972E-02 ppm1 7.137 ppm2 7.754 CV 1
ASSI { 710}
(( segid " " and resid 64 and name HD1 ))
(( segid " " and resid 64 and name HN ))
4.100 2.100 1.900 peak 710 spectrum 4 weight 0.10000E+01 volume 0.22778E-02 ppm1 7.157 ppm2 8.860 CV 1
ASSI { 712}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 107 and name HN ))
3.800 1.800 1.800 peak 712 spectrum 4 weight 0.10000E+01 volume 0.80365E-03 ppm1 7.204 ppm2 10.912 CV 1
ASSI { 713}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HN ))
2.200 0.600 0.600 peak 713 spectrum 4 weight 0.10000E+01 volume 0.39899E-02 ppm1 7.210 ppm2 8.104 CV 1
ASSI { 714}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HN ))
2.700 0.900 0.900 peak 714 spectrum 4 weight 0.10000E+01 volume 0.28566E-02 ppm1 7.261 ppm2 9.218 CV 1
ASSI { 715}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HN ))
2.300 0.700 0.700 peak 715 spectrum 4 weight 0.10000E+01 volume 0.61857E-02 ppm1 7.261 ppm2 8.384 CV 1
ASSI { 719}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 103 and name HN ))
4.700 2.700 1.300 peak 719 spectrum 4 weight 0.10000E+01 volume 0.39230E-03 ppm1 7.282 ppm2 8.984 CV 1
ASSI { 723}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HN ))
2.600 0.900 0.900 peak 723 spectrum 4 weight 0.10000E+01 volume 0.39239E-02 ppm1 7.408 ppm2 7.189 CV 1
ASSI { 725}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 44 and name HN ))
4.900 3.000 1.100 peak 725 spectrum 4 weight 0.10000E+01 volume 0.41845E-03 ppm1 7.479 ppm2 8.404 CV 1
ASSI { 726}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 45 and name HN ))
3.000 1.100 1.100 peak 726 spectrum 4 weight 0.10000E+01 volume 0.31470E-02 ppm1 7.486 ppm2 7.029 CV 1
ASSI { 727}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 60 and name HN ))
3.800 1.800 1.800 peak 727 spectrum 4 weight 0.10000E+01 volume 0.21255E-02 ppm1 7.508 ppm2 8.081 CV 1
ASSI { 729}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 64 and name HN ))
4.200 2.200 1.800 peak 729 spectrum 4 weight 0.10000E+01 volume 0.58482E-03 ppm1 7.519 ppm2 8.865 CV 1
ASSI { 730}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 107 and name HN ))
2.300 2.300 3.700 peak 730 spectrum 4 weight 0.10000E+01 volume 0.19687E-02 ppm1 7.572 ppm2 10.915 CV 1
ASSI { 731}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 731 spectrum 4 weight 0.10000E+01 volume 0.29689E-02 ppm1 7.579 ppm2 8.431 CV 1
ASSI { 732}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 732 spectrum 4 weight 0.10000E+01 volume 0.37925E-02 ppm1 7.580 ppm2 8.365 CV 1
ASSI { 733}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 38 and name HN ))
3.600 1.700 0.700 peak 733 spectrum 4 weight 0.10000E+01 volume 0.10613E-02 ppm1 7.605 ppm2 8.084 CV 1
ASSI { 735}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HN ))
2.500 0.800 0.800 peak 735 spectrum 4 weight 0.10000E+01 volume 0.60173E-02 ppm1 7.657 ppm2 8.522 CV 1
ASSI { 736}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
3.400 1.500 1.500 peak 736 spectrum 4 weight 0.10000E+01 volume 0.20754E-02 ppm1 7.661 ppm2 8.107 CV 1
ASSI { 737}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
4.200 2.200 1.800 peak 737 spectrum 4 weight 0.10000E+01 volume 0.11251E-02 ppm1 7.675 ppm2 7.982 CV 1
ASSI { 738}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
3.200 1.300 1.300 peak 738 spectrum 4 weight 0.10000E+01 volume 0.13983E-02 ppm1 7.745 ppm2 7.396 CV 1
ASSI { 744}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HN ))
2.400 0.700 0.700 peak 744 spectrum 4 weight 0.10000E+01 volume 0.40379E-02 ppm1 7.787 ppm2 8.505 CV 1
ASSI { 747}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HN ))
2.500 0.800 0.800 peak 747 spectrum 4 weight 0.10000E+01 volume 0.43206E-02 ppm1 7.967 ppm2 7.654 CV 1
ASSI { 748}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
4.100 2.100 1.900 peak 748 spectrum 4 weight 0.10000E+01 volume 0.61758E-03 ppm1 7.979 ppm2 8.459 CV 1
ASSI { 749}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
4.200 2.200 1.800 peak 749 spectrum 4 weight 0.10000E+01 volume 0.70520E-03 ppm1 8.045 ppm2 8.601 CV 1
ASSI { 751}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
2.200 0.600 0.600 peak 751 spectrum 4 weight 0.10000E+01 volume 0.76348E-02 ppm1 8.074 ppm2 7.794 CV 1
ASSI { 752}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HN ))
3.000 1.100 1.100 peak 752 spectrum 4 weight 0.10000E+01 volume 0.19192E-02 ppm1 8.077 ppm2 8.894 CV 1
ASSI { 753}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HN ))
2.600 0.800 0.800 peak 753 spectrum 4 weight 0.10000E+01 volume 0.29347E-02 ppm1 8.083 ppm2 8.431 CV 1
ASSI { 755}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HN ))
2.700 0.900 0.900 peak 755 spectrum 4 weight 0.10000E+01 volume 0.40653E-02 ppm1 8.088 ppm2 8.932 CV 1
ASSI { 756}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
2.400 0.700 0.700 peak 756 spectrum 4 weight 0.10000E+01 volume 0.51118E-02 ppm1 8.091 ppm2 8.385 CV 1
ASSI { 757}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HN ))
2.900 1.100 1.100 peak 757 spectrum 4 weight 0.10000E+01 volume 0.29250E-02 ppm1 8.098 ppm2 8.924 CV 1
ASSI { 758}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HN ))
2.300 0.600 0.600 peak 758 spectrum 4 weight 0.10000E+01 volume 0.37103E-02 ppm1 8.098 ppm2 10.914 CV 1
ASSI { 761}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HN ))
2.300 0.700 0.700 peak 761 spectrum 4 weight 0.10000E+01 volume 0.48400E-02 ppm1 8.189 ppm2 8.475 CV 1
ASSI { 762}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 97 and name HN ))
2.500 0.800 0.800 peak 762 spectrum 4 weight 0.10000E+01 volume 0.39196E-02 ppm1 8.198 ppm2 7.190 CV 1
ASSI { 763}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 102 and name HN ))
3.000 1.100 1.100 peak 763 spectrum 4 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.222 ppm2 7.297 CV 1
ASSI { 764}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
2.100 0.600 0.600 peak 764 spectrum 4 weight 0.10000E+01 volume 0.88713E-02 ppm1 8.222 ppm2 8.503 CV 1
ASSI { 765}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HN ))
3.600 1.600 1.600 peak 765 spectrum 4 weight 0.10000E+01 volume 0.60419E-03 ppm1 8.244 ppm2 9.257 CV 1
ASSI { 766}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
2.200 0.600 0.600 peak 766 spectrum 4 weight 0.10000E+01 volume 0.76675E-02 ppm1 8.245 ppm2 8.861 CV 1
ASSI { 768}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HN ))
3.300 1.300 1.300 peak 768 spectrum 4 weight 0.10000E+01 volume 0.13791E-02 ppm1 8.272 ppm2 7.364 CV 1
ASSI { 770}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
2.500 0.800 0.800 peak 770 spectrum 4 weight 0.10000E+01 volume 0.41163E-02 ppm1 8.299 ppm2 7.837 CV 1
ASSI { 772}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
2.600 0.800 0.800 peak 772 spectrum 4 weight 0.10000E+01 volume 0.39049E-02 ppm1 8.322 ppm2 8.642 CV 1
ASSI { 774}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
3.000 1.100 1.100 peak 774 spectrum 4 weight 0.10000E+01 volume 0.27138E-02 ppm1 8.376 ppm2 7.031 CV 1
ASSI { 780}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
3.300 1.300 1.300 peak 780 spectrum 4 weight 0.10000E+01 volume 0.13555E-02 ppm1 8.457 ppm2 9.220 CV 1
ASSI { 781}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HN ))
2.100 0.500 0.500 peak 781 spectrum 4 weight 0.10000E+01 volume 0.59544E-02 ppm1 8.472 ppm2 9.033 CV 1
ASSI { 786}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 64 and name HN ))
3.800 1.800 1.800 peak 786 spectrum 4 weight 0.10000E+01 volume 0.13509E-02 ppm1 8.523 ppm2 8.860 CV 1
ASSI { 787}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HN ))
3.700 1.700 1.700 peak 787 spectrum 4 weight 0.10000E+01 volume 0.69887E-03 ppm1 8.533 ppm2 6.819 CV 1
ASSI { 788}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 102 and name HN ))
2.200 0.600 0.600 peak 788 spectrum 4 weight 0.10000E+01 volume 0.79524E-02 ppm1 8.546 ppm2 7.296 CV 1
ASSI { 790}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 105 and name HN ))
3.200 1.300 1.300 peak 790 spectrum 4 weight 0.10000E+01 volume 0.12016E-02 ppm1 8.622 ppm2 9.085 CV 1
ASSI { 792}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HN ))
2.700 0.900 0.900 peak 792 spectrum 4 weight 0.10000E+01 volume 0.26227E-02 ppm1 8.755 ppm2 7.974 CV 1
ASSI { 794}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HN ))
2.600 0.800 0.800 peak 794 spectrum 4 weight 0.10000E+01 volume 0.33871E-02 ppm1 8.815 ppm2 8.245 CV 1
ASSI { 795}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
3.400 1.400 1.400 peak 795 spectrum 4 weight 0.10000E+01 volume 0.13417E-02 ppm1 8.821 ppm2 7.030 CV 1
ASSI { 796}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HN ))
2.700 0.900 0.900 peak 796 spectrum 4 weight 0.10000E+01 volume 0.24835E-02 ppm1 8.827 ppm2 9.146 CV 1
ASSI { 799}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
3.400 1.500 1.500 peak 799 spectrum 4 weight 0.10000E+01 volume 0.14107E-02 ppm1 8.889 ppm2 8.645 CV 1
ASSI { 806}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 35 and name HN ))
4.200 2.200 1.800 peak 806 spectrum 4 weight 0.10000E+01 volume 0.62278E-03 ppm1 9.090 ppm2 8.366 CV 1
ASSI { 807}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 36 and name HN ))
3.900 1.900 0.900 peak 807 spectrum 4 weight 0.10000E+01 volume 0.58373E-03 ppm1 9.091 ppm2 7.593 CV 1
ASSI { 811}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HN ))
2.600 0.900 0.900 peak 811 spectrum 4 weight 0.10000E+01 volume 0.32691E-02 ppm1 9.209 ppm2 9.521 CV 1
ASSI { 814}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 47 and name HN ))
3.400 1.500 1.500 peak 814 spectrum 4 weight 0.10000E+01 volume 0.71612E-03 ppm1 9.314 ppm2 8.774 CV 1
ASSI { 815}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 77 and name HN ))
2.300 0.600 0.600 peak 815 spectrum 4 weight 0.10000E+01 volume 0.40983E-02 ppm1 9.321 ppm2 7.364 CV 1
ASSI { 816}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HN ))
3.700 1.700 1.700 peak 816 spectrum 4 weight 0.10000E+01 volume 0.14272E-02 ppm1 9.322 ppm2 6.875 CV 1
ASSI { 819}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HN ))
4.600 2.600 1.400 peak 819 spectrum 4 weight 0.10000E+01 volume 0.34310E-03 ppm1 9.689 ppm2 7.594 CV 1
ASSI { 820}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
4.500 2.500 1.500 peak 820 spectrum 4 weight 0.10000E+01 volume 0.57299E-03 ppm1 9.694 ppm2 9.093 CV 1
ASSI { 821}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.600 0.800 0.800 peak 821 spectrum 4 weight 0.10000E+01 volume 0.37698E-02 ppm1 9.694 ppm2 8.364 CV 1
ASSI { 822}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
2.600 0.800 0.800 peak 822 spectrum 4 weight 0.10000E+01 volume 0.25804E-02 ppm1 9.878 ppm2 9.522 CV 1
ASSI { 823}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
4.400 2.400 1.600 peak 823 spectrum 4 weight 0.10000E+01 volume 0.62290E-03 ppm1 10.283 ppm2 9.887 CV 1
ASSI { 826}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HN ))
3.900 1.900 1.900 peak 826 spectrum 4 weight 0.10000E+01 volume 0.13003E-02 ppm1 10.921 ppm2 8.926 CV 1
ASSI { 827}
( segid " " and resid 64 and name HMB%)
(( segid " " and resid 96 and name HN ))
3.600 3.600 2.400 peak 827 spectrum 4 weight 0.10000E+01 volume 0.19644E-02 ppm1 11.612 ppm2 8.211 CV 1
ASSI { 829}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 90 and name HN ))
4.300 2.300 1.700 peak 829 spectrum 4 weight 0.10000E+01 volume 0.26839E-03 ppm1 11.652 ppm2 9.250 CV 1
ASSI { 830}
(( segid " " and resid 99 and name HB3 ))
(( segid " " and resid 56 and name HN ))
2.900 1.100 1.100 peak 830 spectrum 4 weight 0.10000E+01 volume 0.13271E-02 ppm1 2.534 ppm2 8.122 CV 1
ASSI { 831}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 103 and name HN ))
3.900 1.900 1.900 peak 831 spectrum 4 weight 0.10000E+01 volume 0.57233E-03 ppm1 8.000 ppm2 8.980 CV 1
ASSI { 832}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 103 and name HN ))
3.000 1.100 1.100 peak 832 spectrum 4 weight 0.10000E+01 volume 0.16640E-02 ppm1 5.648 ppm2 8.990 CV 1
ASSI { 833}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 105 and name HN ))
4.600 2.600 1.400 peak 833 spectrum 4 weight 0.10000E+01 volume 0.49377E-03 ppm1 5.656 ppm2 9.082 CV 1
ASSI { 834}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 103 and name HN ))
3.600 1.700 1.700 peak 834 spectrum 4 weight 0.10000E+01 volume 0.12547E-02 ppm1 8.626 ppm2 8.984 CV 1
ASSI { 837}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 80 and name HN ))
4.400 2.400 1.600 peak 837 spectrum 4 weight 0.10000E+01 volume 0.60851E-03 ppm1 9.210 ppm2 7.837 CV 1
ASSI { 838}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 104 and name HN ))
3.600 1.700 1.700 peak 838 spectrum 4 weight 0.10000E+01 volume 0.82610E-03 ppm1 3.801 ppm2 8.732 CV 1
ASSI { 840}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 48 and name HN ))
4.300 2.300 1.700 peak 840 spectrum 4 weight 0.10000E+01 volume 0.44371E-03 ppm1 4.043 ppm2 8.456 CV 1
ASSI { 841}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 50 and name HN ))
4.000 2.000 2.000 peak 841 spectrum 4 weight 0.10000E+01 volume 0.81872E-03 ppm1 4.053 ppm2 8.361 CV 1
ASSI { 842}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 104 and name HN ))
3.900 1.900 1.900 peak 842 spectrum 4 weight 0.10000E+01 volume 0.12094E-02 ppm1 8.278 ppm2 8.728 CV 1
ASSI { 843}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 48 and name HN ))
2.700 0.900 0.900 peak 843 spectrum 4 weight 0.10000E+01 volume 0.24720E-02 ppm1 8.780 ppm2 8.457 CV 1
ASSI { 844}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 48 and name HN ))
3.700 1.700 1.700 peak 844 spectrum 4 weight 0.10000E+01 volume 0.10451E-02 ppm1 4.955 ppm2 8.456 CV 1
ASSI { 845}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 99 and name HN ))
4.900 3.000 1.100 peak 845 spectrum 4 weight 0.10000E+01 volume 0.46357E-03 ppm1 8.138 ppm2 7.294 CV 1
ASSI { 846}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 60 and name HN ))
3.300 1.300 1.300 peak 846 spectrum 4 weight 0.10000E+01 volume 0.21104E-02 ppm1 4.272 ppm2 8.082 CV 1
ASSI { 847}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 61 and name HN ))
4.300 2.300 1.700 peak 847 spectrum 4 weight 0.10000E+01 volume 0.75819E-03 ppm1 4.257 ppm2 7.795 CV 1
ASSI { 848}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 61 and name HN ))
3.800 1.800 1.800 peak 848 spectrum 4 weight 0.10000E+01 volume 0.11701E-02 ppm1 3.673 ppm2 7.796 CV 1
ASSI { 849}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 61 and name HN ))
3.700 1.700 1.700 peak 849 spectrum 4 weight 0.10000E+01 volume 0.93131E-03 ppm1 8.866 ppm2 7.797 CV 1
ASSI { 850}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
3.000 1.100 1.100 peak 850 spectrum 4 weight 0.10000E+01 volume 0.19759E-02 ppm1 5.139 ppm2 7.796 CV 1
ASSI { 851}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HN ))
3.000 1.200 1.200 peak 851 spectrum 4 weight 0.10000E+01 volume 0.17307E-02 ppm1 5.140 ppm2 8.245 CV 1
ASSI { 852}
(( segid " " and resid 64 and name HAA2))
(( segid " " and resid 89 and name HN ))
3.400 3.400 2.600 peak 852 spectrum 4 weight 0.10000E+01 volume 0.12838E-02 ppm1 7.236 ppm2 11.662 CV 1
ASSI { 853}
(( segid " " and resid 64 and name HBC2))
(( segid " " and resid 74 and name HN ))
3.700 1.700 1.700 peak 853 spectrum 4 weight 0.10000E+01 volume 0.80596E-03 ppm1 -0.630 ppm2 6.620 CV 1
ASSI { 854}
(( segid " " and resid 64 and name HBC2))
(( segid " " and resid 75 and name HN ))
4.100 2.100 1.900 peak 854 spectrum 4 weight 0.10000E+01 volume 0.96058E-03 ppm1 -0.603 ppm2 6.879 CV 1
ASSI { 855}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 72 and name HN ))
2.900 1.100 1.100 peak 855 spectrum 4 weight 0.10000E+01 volume 0.24313E-02 ppm1 4.192 ppm2 8.384 CV 1
ASSI { 856}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HN ))
3.900 1.900 1.900 peak 856 spectrum 4 weight 0.10000E+01 volume 0.44645E-03 ppm1 9.210 ppm2 9.892 CV 1
ASSI { 857}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 72 and name HN ))
4.200 2.200 1.800 peak 857 spectrum 4 weight 0.10000E+01 volume 0.90721E-03 ppm1 9.211 ppm2 8.385 CV 1
ASSI { 858}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 74 and name HN ))
3.300 1.400 1.400 peak 858 spectrum 4 weight 0.10000E+01 volume 0.10009E-02 ppm1 3.104 ppm2 6.618 CV 1
ASSI { 859}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HN ))
4.300 2.300 1.700 peak 859 spectrum 4 weight 0.10000E+01 volume 0.48864E-03 ppm1 7.262 ppm2 9.521 CV 1
ASSI { 860}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 74 and name HN ))
4.000 2.000 2.000 peak 860 spectrum 4 weight 0.10000E+01 volume 0.80518E-03 ppm1 7.291 ppm2 6.626 CV 1
ASSI { 861}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 75 and name HN ))
3.900 1.900 1.900 peak 861 spectrum 4 weight 0.10000E+01 volume 0.13711E-02 ppm1 8.099 ppm2 6.874 CV 1
ASSI { 862}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 72 and name HN ))
4.300 2.300 1.700 peak 862 spectrum 4 weight 0.10000E+01 volume 0.54671E-03 ppm1 6.618 ppm2 8.381 CV 1
ASSI { 863}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 49 and name HN ))
3.000 3.000 3.000 peak 863 spectrum 4 weight 0.10000E+01 volume 0.52809E-02 ppm1 4.439 ppm2 7.983 CV 1
ASSI { 864}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 77 and name HN ))
3.100 3.100 2.900 peak 864 spectrum 4 weight 0.10000E+01 volume 0.21028E-02 ppm1 4.431 ppm2 7.364 CV 1
ASSI { 865}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 49 and name HN ))
2.900 1.100 1.100 peak 865 spectrum 4 weight 0.10000E+01 volume 0.20207E-02 ppm1 8.299 ppm2 7.982 CV 1
ASSI { 866}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 84 and name HN ))
3.300 1.300 1.300 peak 866 spectrum 4 weight 0.10000E+01 volume 0.13071E-02 ppm1 3.914 ppm2 8.758 CV 1
ASSI { 867}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 85 and name HN ))
3.800 1.800 1.800 peak 867 spectrum 4 weight 0.10000E+01 volume 0.11629E-02 ppm1 3.905 ppm2 8.932 CV 1
ASSI { 868}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 84 and name HN ))
4.000 2.000 2.000 peak 868 spectrum 4 weight 0.10000E+01 volume 0.58136E-03 ppm1 4.304 ppm2 8.760 CV 1
ASSI { 869}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 85 and name HN ))
3.000 1.100 1.100 peak 869 spectrum 4 weight 0.10000E+01 volume 0.28615E-02 ppm1 4.301 ppm2 8.932 CV 1
ASSI { 870}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 95 and name HN ))
3.900 1.900 1.900 peak 870 spectrum 4 weight 0.10000E+01 volume 0.16136E-02 ppm1 4.507 ppm2 8.475 CV 1
ASSI { 871}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 96 and name HN ))
4.000 2.000 2.000 peak 871 spectrum 4 weight 0.10000E+01 volume 0.81648E-03 ppm1 9.046 ppm2 8.209 CV 1
ASSI { 872}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HN ))
4.700 2.800 1.300 peak 872 spectrum 4 weight 0.10000E+01 volume 0.67643E-03 ppm1 8.471 ppm2 9.145 CV 1
ASSI { 873}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 94 and name HN ))
4.500 2.500 1.500 peak 873 spectrum 4 weight 0.10000E+01 volume 0.85431E-03 ppm1 3.789 ppm2 9.031 CV 1
ASSI { 875}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 100 and name HN ))
3.300 1.400 1.400 peak 875 spectrum 4 weight 0.10000E+01 volume 0.20154E-02 ppm1 3.952 ppm2 6.818 CV 1
ASSI { 876}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 95 and name HN ))
4.100 2.100 1.900 peak 876 spectrum 4 weight 0.10000E+01 volume 0.64547E-03 ppm1 7.177 ppm2 8.478 CV 1
!!! ajout?es apr?s analyse des structures calcul?es
ASSI { 637}
(( segid " " and resid 64 and name HAC ))
( segid " " and resid 70 and name HG2%)
4.000 2.000 2.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.48365E-03 ppm1 2.855 ppm2 1.474 CV 1
ASSI { 993}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HG3 ))
3.100 1.200 1.200 peak 993 spectrum 1 weight 0.10000E+01 volume 0.18317E-02 ppm1 4.867 ppm2 2.575 CV 1
ASSI { 1151}
( segid " " and resid 60 and name HD% )
(( segid " " and resid 64 and name HB2 ))
3.000 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11644E-02 ppm1 7.536 ppm2 2.409 CV 1
ASSI { 35}
(( segid " " and resid 105 and name HB2 ))
( segid " " and resid 33 and name HG2%)
2.700 2.700 3.300 peak 35 spectrum 3 weight 0.10000E+01 volume 0.57398E-02 ppm1 2.875 ppm2 1.187 CV 1
ASSI { 531}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 37 and name HA ))
3.000 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 2.283 ppm2 3.625 CV 1
ASSI { 1109}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 36 and name HG3 ))
2.900 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.16456E-02 ppm1 6.853 ppm2 2.291 CV 1
ASSI { 842}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HD3 ))
2.800 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.28352E-02 ppm1 4.070 ppm2 2.919 CV 1
ASSI { 443}
(( segid " " and resid 80 and name HB ))
(( segid " " and resid 82 and name HD22))
3.100 3.100 2.900 peak 443 spectrum 4 weight 0.10000E+01 volume 0.45037E-03 ppm1 2.858 ppm2 7.415 CV 1
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