NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
144991 |
2k7v   |
15931 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 23}
(( segid "A " and resid 45 and name H ))
(( segid "B " and resid 73 and name HG21))
2.400 .700 .700 peak 23 spectrum 1 weight .10000E+01 volume .88939E-02 ppm1 8.718 ppm2 .894 CV 1
OR { 23}
(( segid "A " and resid 45 and name H ))
(( segid "B " and resid 73 and name HG23))
OR { 23}
(( segid "A " and resid 45 and name H ))
(( segid "B " and resid 73 and name HG22))
ASSI { 25}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name H ))
4.000 2.000 2.000 peak 25 spectrum 1 weight .10000E+01 volume .80075E-03 ppm1 8.026 ppm2 8.807 CV 1
ASSI { 31}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 52 and name H ))
3.100 1.200 1.200 peak 31 spectrum 1 weight .10000E+01 volume .16015E-02 ppm1 8.928 ppm2 7.949 CV 1
ASSI { 32}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name H ))
2.800 1.000 1.000 peak 32 spectrum 1 weight .10000E+01 volume .22783E-02 ppm1 7.941 ppm2 8.925 CV 1
ASSI { 36}
(( segid "A " and resid 76 and name H ))
(( segid "B " and resid 44 and name H ))
3.900 1.900 1.900 peak 36 spectrum 1 weight .10000E+01 volume .13822E-02 ppm1 8.753 ppm2 9.299 CV 1
ASSI { 41}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name HG12))
3.500 1.500 1.500 peak 41 spectrum 1 weight .10000E+01 volume .24499E-02 ppm1 7.732 ppm2 -.273 CV 1
OR { 41}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name HG13))
OR { 41}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name HG11))
ASSI { 42}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name H ))
3.000 1.100 1.100 peak 42 spectrum 1 weight .10000E+01 volume .12726E-02 ppm1 7.734 ppm2 8.278 CV 1
ASSI { 47}
(( segid "A " and resid 69 and name H ))
(( segid "B " and resid 48 and name H ))
3.200 1.300 1.300 peak 47 spectrum 1 weight .10000E+01 volume .12011E-02 ppm1 8.207 ppm2 9.274 CV 1
ASSI { 48}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 69 and name H ))
3.000 1.100 1.100 peak 48 spectrum 1 weight .10000E+01 volume .18779E-02 ppm1 9.263 ppm2 8.203 CV 1
ASSI { 53}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name H ))
4.300 2.300 1.700 peak 53 spectrum 1 weight .10000E+01 volume .46235E-03 ppm1 8.501 ppm2 8.758 CV 1
ASSI { 61}
(( segid "A " and resid 46 and name H ))
(( segid "B " and resid 72 and name H ))
3.500 1.600 1.600 peak 61 spectrum 1 weight .10000E+01 volume .56244E-03 ppm1 8.275 ppm2 7.741 CV 1
ASSI { 64}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 74 and name H ))
2.400 .700 .700 peak 64 spectrum 1 weight .10000E+01 volume .48710E-02 ppm1 9.293 ppm2 9.448 CV 1
ASSI { 83}
(( segid "A " and resid 46 and name H ))
(( segid "B " and resid 73 and name HG21))
3.300 1.400 1.400 peak 83 spectrum 1 weight .10000E+01 volume .39131E-02 ppm1 8.270 ppm2 .902 CV 1
OR { 83}
(( segid "A " and resid 46 and name H ))
(( segid "B " and resid 73 and name HG23))
OR { 83}
(( segid "A " and resid 46 and name H ))
(( segid "B " and resid 73 and name HG22))
ASSI { 89}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 41 and name H ))
2.500 .800 .800 peak 89 spectrum 1 weight .10000E+01 volume .54097E-02 ppm1 8.504 ppm2 8.279 CV 1
ASSI { 97}
(( segid "A " and resid 51 and name H ))
(( segid "B " and resid 67 and name HG21))
3.000 1.100 1.100 peak 97 spectrum 1 weight .10000E+01 volume .25309E-02 ppm1 8.066 ppm2 1.130 CV 1
OR { 97}
(( segid "A " and resid 51 and name H ))
(( segid "B " and resid 67 and name HG23))
OR { 97}
(( segid "A " and resid 51 and name H ))
(( segid "B " and resid 67 and name HG22))
ASSI { 100}
(( segid "A " and resid 51 and name H ))
(( segid "B " and resid 67 and name HA ))
3.500 1.500 1.500 peak 100 spectrum 1 weight .10000E+01 volume .13060E-02 ppm1 8.060 ppm2 3.920 CV 1
ASSI { 102}
(( segid "A " and resid 74 and name H ))
(( segid "B " and resid 44 and name H ))
3.000 1.200 1.200 peak 102 spectrum 1 weight .10000E+01 volume .12250E-02 ppm1 9.450 ppm2 9.295 CV 1
ASSI { 104}
(( segid "A " and resid 76 and name H ))
(( segid "B " and resid 43 and name HA ))
2.400 .700 .700 peak 104 spectrum 1 weight .10000E+01 volume .34508E-02 ppm1 8.751 ppm2 5.286 CV 1
ASSI { 109}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name HG12))
4.100 2.100 1.900 peak 109 spectrum 1 weight .10000E+01 volume .55765E-03 ppm1 8.503 ppm2 .832 CV 1
OR { 109}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name HG11))
OR { 109}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name HG13))
ASSI { 110}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name HG21))
4.800 2.900 1.200 peak 110 spectrum 1 weight .10000E+01 volume .23355E-03 ppm1 8.499 ppm2 1.047 CV 1
OR { 110}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name HG23))
OR { 110}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 76 and name HG22))
ASSI { 113}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 75 and name HG2 ))
4.400 2.500 1.600 peak 113 spectrum 1 weight .10000E+01 volume .36224E-03 ppm1 8.505 ppm2 2.205 CV 1
ASSI { 117}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 75 and name HA ))
5.100 3.200 .900 peak 117 spectrum 1 weight .10000E+01 volume .26215E-03 ppm1 8.508 ppm2 5.100 CV 1
ASSI { 121}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name HG23))
3.500 3.500 2.500 peak 121 spectrum 1 weight .10000E+01 volume .20781E-02 ppm1 8.313 ppm2 1.024 CV 1
OR { 121}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name HG21))
OR { 121}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name HG22))
ASSI { 122}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name HG12))
3.300 1.400 1.400 peak 122 spectrum 1 weight .10000E+01 volume .18303E-02 ppm1 8.310 ppm2 .838 CV 1
OR { 122}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name HG13))
OR { 122}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name HG11))
ASSI { 125}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 77 and name HA ))
3.300 3.300 2.700 peak 125 spectrum 1 weight .10000E+01 volume .13584E-02 ppm1 8.306 ppm2 4.367 CV 1
ASSI { 127}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 75 and name HA ))
3.300 1.300 1.300 peak 127 spectrum 1 weight .10000E+01 volume .17159E-02 ppm1 8.307 ppm2 5.084 CV 1
ASSI { 133}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 74 and name HB2 ))
2.900 1.000 1.000 peak 133 spectrum 1 weight .10000E+01 volume .28360E-02 ppm1 9.296 ppm2 3.149 CV 1
OR { 133}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 74 and name HB3 ))
ASSI { 135}
(( segid "B " and resid 44 and name H ))
( segid "A " and resid 50 and name HD% )
4.400 2.400 1.600 peak 135 spectrum 1 weight .10000E+01 volume .55765E-03 ppm1 9.289 ppm2 7.063 CV 1
ASSI { 148}
(( segid "A " and resid 78 and name H ))
(( segid "B " and resid 42 and name HA ))
3.600 1.600 1.600 peak 148 spectrum 1 weight .10000E+01 volume .90561E-03 ppm1 8.459 ppm2 4.579 CV 1
ASSI { 150}
(( segid "A " and resid 77 and name H ))
(( segid "B " and resid 42 and name HB3 ))
3.700 1.700 1.700 peak 150 spectrum 1 weight .10000E+01 volume .88652E-03 ppm1 8.493 ppm2 1.358 CV 1
OR { 150}
(( segid "A " and resid 77 and name H ))
(( segid "B " and resid 42 and name HB2 ))
OR { 150}
(( segid "A " and resid 77 and name H ))
(( segid "B " and resid 42 and name HB1 ))
ASSI { 161}
(( segid "A " and resid 76 and name H ))
(( segid "B " and resid 42 and name HB3 ))
2.800 1.000 1.000 peak 161 spectrum 1 weight .10000E+01 volume .28932E-02 ppm1 8.753 ppm2 1.357 CV 1
OR { 161}
(( segid "A " and resid 76 and name H ))
(( segid "B " and resid 42 and name HB2 ))
OR { 161}
(( segid "A " and resid 76 and name H ))
(( segid "B " and resid 42 and name HB1 ))
ASSI { 181}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name HG22))
2.800 1.000 1.000 peak 181 spectrum 1 weight .10000E+01 volume .28741E-02 ppm1 7.730 ppm2 .332 CV 1
OR { 181}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name HG23))
OR { 181}
(( segid "A " and resid 72 and name H ))
(( segid "B " and resid 46 and name HG21))
ASSI { 188}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HG12))
1.900 .500 .500 peak 188 spectrum 1 weight .10000E+01 volume .35652E-02 ppm1 7.735 ppm2 1.188 CV 1
ASSI { 196}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HG12))
3.000 1.100 1.100 peak 196 spectrum 1 weight .10000E+01 volume .20019E-02 ppm1 8.656 ppm2 1.201 CV 1
ASSI { 201}
(( segid "A " and resid 69 and name H ))
(( segid "B " and resid 48 and name HB2 ))
2.700 .900 .900 peak 201 spectrum 1 weight .10000E+01 volume .46377E-02 ppm1 8.206 ppm2 1.596 CV 1
OR { 201}
(( segid "A " and resid 69 and name H ))
(( segid "B " and resid 48 and name HB3 ))
OR { 201}
(( segid "A " and resid 69 and name H ))
(( segid "B " and resid 48 and name HB1 ))
ASSI { 204}
(( segid "A " and resid 69 and name H ))
( segid "A " and resid 67 and name HG2%)
3.600 1.600 1.600 peak 204 spectrum 1 weight .10000E+01 volume .12917E-02 ppm1 8.205 ppm2 1.135 CV 1
ASSI { 209}
(( segid "A " and resid 68 and name H ))
(( segid "B " and resid 49 and name HA ))
2.400 2.400 3.600 peak 209 spectrum 1 weight .10000E+01 volume .52046E-02 ppm1 9.072 ppm2 4.420 CV 1
ASSI { 213}
(( segid "A " and resid 68 and name H ))
(( segid "B " and resid 48 and name HB2 ))
3.000 1.200 1.200 peak 213 spectrum 1 weight .10000E+01 volume .30171E-02 ppm1 9.075 ppm2 1.601 CV 1
OR { 213}
(( segid "A " and resid 68 and name H ))
(( segid "B " and resid 48 and name HB1 ))
OR { 213}
(( segid "A " and resid 68 and name H ))
(( segid "B " and resid 48 and name HB3 ))
ASSI { 217}
(( segid "A " and resid 67 and name H ))
(( segid "B " and resid 51 and name HB3 ))
2.400 .700 .700 peak 217 spectrum 1 weight .10000E+01 volume .84172E-02 ppm1 8.396 ppm2 1.626 CV 1
OR { 217}
(( segid "A " and resid 67 and name H ))
(( segid "B " and resid 51 and name HB2 ))
OR { 217}
(( segid "A " and resid 67 and name H ))
(( segid "B " and resid 51 and name HB1 ))
ASSI { 224}
(( segid "A " and resid 68 and name H ))
(( segid "B " and resid 47 and name HB3 ))
4.000 2.000 2.000 peak 224 spectrum 1 weight .10000E+01 volume .74355E-03 ppm1 9.075 ppm2 2.043 CV 1
ASSI { 225}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 65 and name HB ))
2.500 .800 .800 peak 225 spectrum 1 weight .10000E+01 volume .55241E-02 ppm1 8.931 ppm2 1.832 CV 1
ASSI { 233}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 53 and name HG23))
3.600 1.700 1.700 peak 233 spectrum 1 weight .10000E+01 volume .15300E-02 ppm1 8.574 ppm2 .749 CV 1
OR { 233}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 53 and name HG21))
OR { 233}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 53 and name HG22))
ASSI { 236}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 54 and name HB ))
3.400 1.400 1.400 peak 236 spectrum 1 weight .10000E+01 volume .13822E-02 ppm1 8.579 ppm2 2.342 CV 1
ASSI { 243}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name HB ))
2.500 .800 .800 peak 243 spectrum 1 weight .10000E+01 volume .35080E-02 ppm1 8.031 ppm2 2.389 CV 1
ASSI { 244}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name HG13))
2.900 1.000 1.000 peak 244 spectrum 1 weight .10000E+01 volume .63057E-02 ppm1 8.032 ppm2 .899 CV 1
OR { 244}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name HG23))
OR { 244}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name HG12))
OR { 244}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name HG21))
OR { 244}
(( segid "A " and resid 63 and name H ))
(( segid "B " and resid 54 and name HG11))
ASSI { 252}
(( segid "A " and resid 62 and name H ))
(( segid "B " and resid 54 and name HB ))
2.400 .700 .700 peak 252 spectrum 1 weight .10000E+01 volume .31887E-02 ppm1 9.276 ppm2 2.386 CV 1
ASSI { 332}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 66 and name HG2 ))
3.000 1.100 1.100 peak 332 spectrum 1 weight .10000E+01 volume .18970E-02 ppm1 7.944 ppm2 1.446 CV 1
OR { 332}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 66 and name HG3 ))
ASSI { 334}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name HG23))
3.700 1.700 1.700 peak 334 spectrum 1 weight .10000E+01 volume .19876E-02 ppm1 7.942 ppm2 .781 CV 1
OR { 334}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name HG22))
OR { 334}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name HG21))
ASSI { 344}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG11))
4.700 2.700 1.300 peak 344 spectrum 1 weight .10000E+01 volume .87225E-03 ppm1 7.064 ppm2 -.254 CV 1
OR { 344}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG12))
OR { 344}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG13))
ASSI { 347}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 48 and name HA ))
3.800 1.800 1.800 peak 347 spectrum 1 weight .10000E+01 volume .17826E-02 ppm1 7.056 ppm2 4.294 CV 1
ASSI { 348}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HD2 ))
2.700 .900 .900 peak 348 spectrum 1 weight .10000E+01 volume .20066E-02 ppm1 7.058 ppm2 3.592 CV 1
ASSI { 349}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HB2 ))
2.600 .900 .900 peak 349 spectrum 1 weight .10000E+01 volume .37654E-02 ppm1 7.055 ppm2 3.300 CV 1
ASSI { 356}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 74 and name HZ ))
3.700 3.700 2.300 peak 356 spectrum 1 weight .10000E+01 volume .18922E-02 ppm1 7.058 ppm2 6.893 CV 1
ASSI { 368}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 76 and name H ))
3.600 1.600 1.600 peak 368 spectrum 1 weight .10000E+01 volume .88652E-03 ppm1 8.307 ppm2 8.749 CV 1
ASSI { 371}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HG3 ))
3.400 1.500 1.500 peak 371 spectrum 1 weight .10000E+01 volume .17206E-02 ppm1 8.730 ppm2 2.393 CV 1
OR { 371}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HG2 ))
ASSI { 380}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 71 and name HG21))
2.700 .900 .900 peak 380 spectrum 1 weight .10000E+01 volume .47853E-02 ppm1 9.278 ppm2 .965 CV 1
OR { 380}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 71 and name HG22))
OR { 380}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 71 and name HG23))
ASSI { 1}
(( segid "A " and resid 74 and name H ))
(( segid "B " and resid 46 and name HG12))
3.400 1.500 1.500 peak 1 spectrum 1 weight .10000E+01 volume .12908E-02 ppm1 9.451 ppm2 -.261 CV 1
OR { 1}
(( segid "A " and resid 74 and name H ))
(( segid "B " and resid 46 and name HG13))
OR { 1}
(( segid "A " and resid 74 and name H ))
(( segid "B " and resid 46 and name HG11))
ASSI { 5}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 46 and name HG12))
2.700 .900 .900 peak 5 spectrum 1 weight .10000E+01 volume .37831E-02 ppm1 7.393 ppm2 -.260 CV 1
OR { 5}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 46 and name HG11))
OR { 5}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 46 and name HG13))
ASSI { 34}
( segid "A " and resid 74 and name HE% )
( segid "A " and resid 50 and name HE% )
2.700 2.700 3.300 peak 34 spectrum 1 weight .10000E+01 volume .38214E-02 ppm1 7.388 ppm2 7.121 CV 1
ASSI { 91}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 54 and name HB ))
3.700 1.700 1.700 peak 91 spectrum 1 weight .10000E+01 volume .22877E-02 ppm1 7.393 ppm2 2.420 CV 1
ASSI { 110}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 59 and name HG12))
2.400 2.400 3.600 peak 110 spectrum 1 weight .10000E+01 volume .33869E-02 ppm1 7.394 ppm2 1.051 CV 1
OR { 110}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 59 and name HG13))
ASSI { 113}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 71 and name HG23))
2.700 .900 .900 peak 113 spectrum 1 weight .10000E+01 volume .34700E-02 ppm1 6.901 ppm2 .917 CV 1
OR { 113}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 71 and name HG21))
OR { 113}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 71 and name HG22))
ASSI { 119}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 65 and name HG23))
2.700 .900 .900 peak 119 spectrum 1 weight .10000E+01 volume .57770E-02 ppm1 7.396 ppm2 .773 CV 1
OR { 119}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 65 and name HG21))
OR { 119}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 65 and name HG22))
ASSI { 120}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 65 and name HG23))
2.300 .700 .700 peak 120 spectrum 1 weight .10000E+01 volume .97708E-02 ppm1 6.899 ppm2 .772 CV 1
OR { 120}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 65 and name HG21))
OR { 120}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 65 and name HG22))
ASSI { 125}
( segid "B " and resid 74 and name HE% )
( segid "A " and resid 65 and name HG1%)
2.400 .700 .700 peak 125 spectrum 1 weight .10000E+01 volume .60324E-02 ppm1 7.396 ppm2 .532 CV 1
ASSI { 126}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 65 and name HG13))
2.500 .800 .800 peak 126 spectrum 1 weight .10000E+01 volume .63777E-02 ppm1 6.900 ppm2 .533 CV 1
OR { 126}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 65 and name HG12))
OR { 126}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 65 and name HG11))
ASSI { 129}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 46 and name HG23))
3.100 1.200 1.200 peak 129 spectrum 1 weight .10000E+01 volume .19490E-02 ppm1 6.901 ppm2 .352 CV 1
OR { 129}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 46 and name HG22))
OR { 129}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 46 and name HG21))
ASSI { 130}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 51 and name H ))
3.200 3.200 2.800 peak 130 spectrum 1 weight .10000E+01 volume .44987E-02 ppm1 7.121 ppm2 8.075 CV 1
ASSI { 162}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 74 and name H ))
3.300 1.400 1.400 peak 162 spectrum 1 weight .10000E+01 volume .11631E-02 ppm1 7.394 ppm2 9.425 CV 1
ASSI { 165}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 52 and name H ))
3.800 1.800 1.800 peak 165 spectrum 1 weight .10000E+01 volume .11055E-02 ppm1 7.381 ppm2 7.957 CV 1
ASSI { 179}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 51 and name HA ))
3.400 3.400 2.600 peak 179 spectrum 1 weight .10000E+01 volume .13100E-02 ppm1 7.394 ppm2 4.548 CV 1
ASSI { 181}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 52 and name HA3 ))
3.900 1.900 1.900 peak 181 spectrum 1 weight .10000E+01 volume .93298E-03 ppm1 7.396 ppm2 4.156 CV 1
ASSI { 182}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 52 and name HA2 ))
3.700 1.700 1.700 peak 182 spectrum 1 weight .10000E+01 volume .97134E-03 ppm1 7.394 ppm2 4.024 CV 1
ASSI { 184}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 46 and name HG23))
3.000 1.100 1.100 peak 184 spectrum 1 weight .10000E+01 volume .15784E-02 ppm1 7.394 ppm2 .348 CV 1
OR { 184}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 46 and name HG22))
OR { 184}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 46 and name HG21))
ASSI { 187}
(( segid "A " and resid 54 and name H ))
(( segid "B " and resid 63 and name H ))
3.800 1.900 1.900 peak 187 spectrum 1 weight .10000E+01 volume .97774E-03 ppm1 8.813 ppm2 8.043 CV 1
ASSI { 192}
( segid "A " and resid 74 and name HD% )
(( segid "B " and resid 65 and name HG13))
2.800 1.000 1.000 peak 192 spectrum 1 weight .10000E+01 volume .24283E-02 ppm1 6.953 ppm2 .533 CV 1
OR { 192}
( segid "A " and resid 74 and name HD% )
(( segid "B " and resid 65 and name HG12))
OR { 192}
( segid "A " and resid 74 and name HD% )
(( segid "B " and resid 65 and name HG11))
ASSI { 193}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 74 and name H ))
3.100 1.200 1.200 peak 193 spectrum 1 weight .10000E+01 volume .17893E-02 ppm1 -.261 ppm2 9.457 CV 1
ASSI { 195}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 72 and name H ))
3.800 1.800 1.800 peak 195 spectrum 1 weight .10000E+01 volume .16679E-02 ppm1 -.260 ppm2 7.739 CV 1
ASSI { 196}
( segid "A " and resid 46 and name HG1%)
( segid "B " and resid 74 and name HE% )
2.700 .900 .900 peak 196 spectrum 1 weight .10000E+01 volume .30418E-02 ppm1 -.259 ppm2 7.397 CV 1
ASSI { 197}
( segid "A " and resid 46 and name HG1%)
( segid "B " and resid 50 and name HD% )
3.000 1.200 1.200 peak 197 spectrum 1 weight .10000E+01 volume .79430E-02 ppm1 -.261 ppm2 7.059 CV 1
OR { 197}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 50 and name H ))
ASSI { 199}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 74 and name HZ ))
3.800 1.800 1.800 peak 199 spectrum 1 weight .10000E+01 volume .15592E-02 ppm1 -.263 ppm2 6.906 CV 1
ASSI { 202}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 74 and name HB2 ))
4.000 2.000 2.000 peak 202 spectrum 1 weight .10000E+01 volume .16232E-02 ppm1 -.257 ppm2 3.144 CV 1
OR { 202}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 74 and name HB3 ))
ASSI { 211}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 49 and name HD2 ))
3.000 1.100 1.100 peak 211 spectrum 1 weight .10000E+01 volume .27542E-02 ppm1 .349 ppm2 3.607 CV 1
ASSI { 212}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 49 and name HD3 ))
3.100 1.200 1.200 peak 212 spectrum 1 weight .10000E+01 volume .19810E-02 ppm1 .348 ppm2 3.046 CV 1
ASSI { 217}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 72 and name H ))
3.000 1.100 1.100 peak 217 spectrum 1 weight .10000E+01 volume .18277E-02 ppm1 .345 ppm2 7.745 CV 1
ASSI { 218}
( segid "A " and resid 46 and name HG2%)
( segid "B " and resid 74 and name HE% )
2.900 1.000 1.000 peak 218 spectrum 1 weight .10000E+01 volume .16934E-02 ppm1 .346 ppm2 7.398 CV 1
ASSI { 219}
( segid "A " and resid 46 and name HG2%)
( segid "B " and resid 50 and name HD% )
3.800 1.800 1.800 peak 219 spectrum 1 weight .10000E+01 volume .34380E-02 ppm1 .346 ppm2 7.062 CV 1
OR { 219}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 50 and name H ))
ASSI { 220}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 74 and name HZ ))
3.100 1.200 1.200 peak 220 spectrum 1 weight .10000E+01 volume .19363E-02 ppm1 .347 ppm2 6.904 CV 1
ASSI { 224}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 53 and name H ))
3.900 1.900 1.900 peak 224 spectrum 1 weight .10000E+01 volume .74126E-03 ppm1 7.394 ppm2 8.524 CV 1
ASSI { 240}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 49 and name HG3 ))
2.700 .900 .900 peak 240 spectrum 1 weight .10000E+01 volume .97774E-03 ppm1 -.258 ppm2 .634 CV 1
ASSI { 242}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 73 and name HA ))
3.200 1.300 1.300 peak 242 spectrum 1 weight .10000E+01 volume .12844E-02 ppm1 .341 ppm2 4.862 CV 1
ASSI { 243}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 73 and name HA ))
3.100 1.200 1.200 peak 243 spectrum 1 weight .10000E+01 volume .16040E-02 ppm1 -.259 ppm2 4.858 CV 1
ASSI { 245}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 71 and name H ))
4.200 2.200 1.800 peak 245 spectrum 1 weight .10000E+01 volume .11631E-02 ppm1 -.256 ppm2 8.675 CV 1
ASSI { 246}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 71 and name H ))
3.800 1.800 1.800 peak 246 spectrum 1 weight .10000E+01 volume .10800E-02 ppm1 .359 ppm2 8.663 CV 1
ASSI { 249}
( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 46 and name HG11))
2.800 1.000 1.000 peak 249 spectrum 1 weight .10000E+01 volume .97005E-02 ppm1 7.054 ppm2 -.258 CV 1
OR { 249}
( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 46 and name HG12))
OR { 249}
( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 46 and name HG13))
OR { 249}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG11))
OR { 249}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG12))
ASSI { 250}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 46 and name HG12))
3.600 1.600 1.600 peak 250 spectrum 1 weight .10000E+01 volume .17829E-02 ppm1 6.895 ppm2 -.261 CV 1
OR { 250}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 46 and name HG11))
OR { 250}
(( segid "A " and resid 74 and name HZ ))
(( segid "B " and resid 46 and name HG13))
ASSI { 259}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 49 and name HD2 ))
3.800 1.800 1.800 peak 259 spectrum 1 weight .10000E+01 volume .12589E-02 ppm1 -.265 ppm2 3.609 CV 1
ASSI { 260}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 49 and name HD3 ))
4.300 2.300 1.700 peak 260 spectrum 1 weight .10000E+01 volume .84991E-03 ppm1 -.270 ppm2 3.054 CV 1
ASSI { 261}
( segid "A " and resid 46 and name HG1%)
( segid "B " and resid 50 and name HE% )
2.300 .600 .600 peak 261 spectrum 1 weight .10000E+01 volume .54767E-02 ppm1 -.261 ppm2 7.099 CV 1
ASSI { 262}
( segid "A " and resid 46 and name HG2%)
( segid "B " and resid 50 and name HE% )
3.700 1.700 1.700 peak 262 spectrum 1 weight .10000E+01 volume .23708E-02 ppm1 .346 ppm2 7.102 CV 1
ASSI { 2}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name H ))
3.700 1.700 1.700 peak 2 spectrum 1 weight .10000E+01 volume .89130E-03 ppm1 9.251 ppm2 7.808 CV 1
OR { 2}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name H ))
OR { 2}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 58 and name H ))
ASSI { 5}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 56 and name H ))
2.400 .700 .700 peak 5 spectrum 1 weight .10000E+01 volume .52142E-02 ppm1 9.400 ppm2 7.826 CV 1
OR { 5}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 56 and name H ))
ASSI { 7}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 74 and name HA ))
2.600 .800 .800 peak 7 spectrum 1 weight .10000E+01 volume .35986E-02 ppm1 9.404 ppm2 5.893 CV 1
OR { 7}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 74 and name HA ))
ASSI { 9}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 74 and name H ))
3.800 1.800 1.800 peak 9 spectrum 1 weight .10000E+01 volume .85316E-03 ppm1 9.622 ppm2 9.419 CV 1
OR { 9}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 74 and name H ))
OR { 9}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 55 and name H ))
ASSI { 12}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 75 and name H ))
3.100 1.200 1.200 peak 12 spectrum 1 weight .10000E+01 volume .18779E-02 ppm1 9.394 ppm2 9.606 CV 1
OR { 12}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 75 and name H ))
ASSI { 14}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HD21))
2.700 .900 .900 peak 14 spectrum 1 weight .10000E+01 volume .35319E-02 ppm1 8.965 ppm2 7.999 CV 1
OR { 14}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HD21))
ASSI { 15}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 60 and name H ))
3.200 1.200 1.200 peak 15 spectrum 1 weight .10000E+01 volume .16253E-02 ppm1 8.030 ppm2 8.953 CV 1
OR { 15}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 60 and name H ))
OR { 15}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 65 and name H ))
ASSI { 17}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name H ))
3.500 1.600 1.600 peak 17 spectrum 1 weight .10000E+01 volume .21258E-02 ppm1 8.709 ppm2 8.980 CV 1
OR { 17}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name H ))
ASSI { 18}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HD21))
3.900 1.900 1.900 peak 18 spectrum 1 weight .10000E+01 volume .15729E-02 ppm1 8.715 ppm2 7.986 CV 1
OR { 18}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HD21))
ASSI { 20}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 88 and name HA ))
2.400 .700 .700 peak 20 spectrum 1 weight .10000E+01 volume .57675E-02 ppm1 8.111 ppm2 4.374 CV 1
OR { 20}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 88 and name HA ))
ASSI { 21}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 63 and name H ))
2.500 .800 .800 peak 21 spectrum 1 weight .10000E+01 volume .27359E-02 ppm1 9.279 ppm2 8.034 CV 1
OR { 21}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 63 and name H ))
ASSI { 27}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 65 and name H ))
3.800 1.900 1.900 peak 27 spectrum 1 weight .10000E+01 volume .14346E-02 ppm1 8.577 ppm2 8.937 CV 1
OR { 27}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 65 and name H ))
ASSI { 28}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name H ))
3.700 1.800 1.800 peak 28 spectrum 1 weight .10000E+01 volume .12964E-02 ppm1 8.931 ppm2 8.561 CV 1
OR { 28}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 53 and name H ))
ASSI { 30}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 65 and name H ))
3.500 1.500 1.500 peak 30 spectrum 1 weight .10000E+01 volume .19971E-02 ppm1 8.177 ppm2 8.936 CV 1
OR { 30}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name H ))
ASSI { 33}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 53 and name H ))
3.400 1.500 1.500 peak 33 spectrum 1 weight .10000E+01 volume .20019E-02 ppm1 7.946 ppm2 8.512 CV 1
OR { 33}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 53 and name H ))
ASSI { 34}
(( segid "A " and resid 52 and name H ))
( segid "A " and resid 74 and name HD% )
3.900 1.900 1.900 peak 34 spectrum 1 weight .10000E+01 volume .11249E-02 ppm1 7.940 ppm2 6.944 CV 1
OR { 34}
(( segid "B " and resid 52 and name H ))
( segid "B " and resid 74 and name HD% )
ASSI { 35}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name H ))
4.000 2.000 2.000 peak 35 spectrum 1 weight .10000E+01 volume .11487E-02 ppm1 9.285 ppm2 8.768 CV 1
OR { 35}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name H ))
OR { 35}
(( segid "A " and resid 62 and name H ))
(( segid "B " and resid 54 and name H ))
ASSI { 38}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name H ))
2.000 .500 .500 peak 38 spectrum 1 weight .10000E+01 volume .61772E-02 ppm1 7.733 ppm2 8.666 CV 1
OR { 38}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name H ))
ASSI { 43}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name H ))
3.600 1.600 1.600 peak 43 spectrum 1 weight .10000E+01 volume .18160E-02 ppm1 8.659 ppm2 8.199 CV 1
OR { 43}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 69 and name H ))
ASSI { 45}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 68 and name H ))
2.800 1.000 1.000 peak 45 spectrum 1 weight .10000E+01 volume .18541E-02 ppm1 8.206 ppm2 9.075 CV 1
OR { 45}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name H ))
ASSI { 49}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 71 and name H ))
3.100 1.200 1.200 peak 49 spectrum 1 weight .10000E+01 volume .19494E-02 ppm1 9.279 ppm2 8.673 CV 1
OR { 49}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 70 and name H ))
ASSI { 50}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name H ))
3.400 1.400 1.400 peak 50 spectrum 1 weight .10000E+01 volume .30171E-02 ppm1 8.710 ppm2 9.270 CV 1
OR { 50}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name H ))
ASSI { 52}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 77 and name H ))
3.000 1.100 1.100 peak 52 spectrum 1 weight .10000E+01 volume .49571E-02 ppm1 8.754 ppm2 8.492 CV 1
OR { 52}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 77 and name H ))
ASSI { 55}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name H ))
2.300 .600 .600 peak 55 spectrum 1 weight .10000E+01 volume .46090E-02 ppm1 7.142 ppm2 7.810 CV 1
OR { 55}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 58 and name H ))
ASSI { 57}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name H ))
3.300 1.400 1.400 peak 57 spectrum 1 weight .10000E+01 volume .23355E-02 ppm1 8.962 ppm2 7.150 CV 1
OR { 57}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name H ))
ASSI { 58}
(( segid "A " and resid 46 and name H ))
(( segid "B " and resid 71 and name H ))
3.800 1.800 1.800 peak 58 spectrum 1 weight .10000E+01 volume .79596E-03 ppm1 8.272 ppm2 8.702 CV 1
OR { 58}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name H ))
ASSI { 59}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 46 and name H ))
3.600 1.600 1.600 peak 59 spectrum 1 weight .10000E+01 volume .21544E-02 ppm1 8.717 ppm2 8.290 CV 1
OR { 59}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name H ))
ASSI { 63}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name H ))
3.400 1.500 1.500 peak 63 spectrum 1 weight .10000E+01 volume .33746E-02 ppm1 9.286 ppm2 8.309 CV 1
OR { 63}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name H ))
ASSI { 65}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name H ))
3.800 1.800 1.800 peak 65 spectrum 1 weight .10000E+01 volume .12726E-02 ppm1 9.296 ppm2 8.725 CV 1
OR { 65}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 45 and name H ))
OR { 65}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 45 and name H ))
ASSI { 68}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 42 and name H ))
2.600 .900 .900 peak 68 spectrum 1 weight .10000E+01 volume .37273E-02 ppm1 8.309 ppm2 8.500 CV 1
OR { 68}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 42 and name H ))
ASSI { 69}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HA ))
2.300 .700 .700 peak 69 spectrum 1 weight .10000E+01 volume .70828E-02 ppm1 8.459 ppm2 4.372 CV 1
OR { 69}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HA ))
ASSI { 70}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HA ))
1.900 .500 .500 peak 70 spectrum 1 weight .10000E+01 volume .17698E-01 ppm1 8.966 ppm2 4.744 CV 1
OR { 70}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HA ))
ASSI { 71}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HB2 ))
2.500 .800 .800 peak 71 spectrum 1 weight .10000E+01 volume .67350E-02 ppm1 8.713 ppm2 2.579 CV 1
OR { 71}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HB2 ))
ASSI { 72}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HB3 ))
2.300 .600 .600 peak 72 spectrum 1 weight .10000E+01 volume .11625E-01 ppm1 8.714 ppm2 2.774 CV 1
OR { 72}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 73}
(( segid "A " and resid 60 and name HD21))
(( segid "A " and resid 60 and name HB2 ))
2.400 2.400 3.600 peak 73 spectrum 1 weight .10000E+01 volume .76834E-02 ppm1 7.974 ppm2 2.574 CV 1
OR { 73}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 74}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 60 and name HB3 ))
2.800 1.000 1.000 peak 74 spectrum 1 weight .10000E+01 volume .36653E-02 ppm1 7.974 ppm2 2.774 CV 1
OR { 74}
(( segid "A " and resid 60 and name HD21))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 75}
(( segid "A " and resid 60 and name H ))
( segid "A " and resid 59 and name HG1%)
2.900 1.100 1.100 peak 75 spectrum 1 weight .10000E+01 volume .10281E-01 ppm1 8.965 ppm2 1.033 CV 1
OR { 75}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HG11))
OR { 75}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HG12))
ASSI { 76}
(( segid "A " and resid 60 and name H ))
( segid "A " and resid 59 and name HG2%)
2.700 .900 .900 peak 76 spectrum 1 weight .10000E+01 volume .10200E-01 ppm1 8.965 ppm2 .906 CV 1
OR { 76}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HG21))
OR { 76}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HG23))
ASSI { 77}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HB ))
2.200 .600 .600 peak 77 spectrum 1 weight .10000E+01 volume .96805E-02 ppm1 8.966 ppm2 2.317 CV 1
OR { 77}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HB ))
ASSI { 78}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HA ))
2.400 .700 .700 peak 78 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.715 ppm2 3.269 CV 1
OR { 78}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HA ))
ASSI { 79}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name H ))
3.700 1.700 1.700 peak 79 spectrum 1 weight .10000E+01 volume .89609E-03 ppm1 7.818 ppm2 9.247 CV 1
OR { 79}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name H ))
ASSI { 80}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HB2 ))
2.500 .800 .800 peak 80 spectrum 1 weight .10000E+01 volume .10491E-01 ppm1 9.295 ppm2 3.741 CV 1
OR { 80}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HB2 ))
OR { 80}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HB3 ))
OR { 80}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HB3 ))
ASSI { 81}
(( segid "A " and resid 77 and name H ))
( segid "A " and resid 76 and name HG1%)
3.300 1.400 1.400 peak 81 spectrum 1 weight .10000E+01 volume .34890E-02 ppm1 8.494 ppm2 .831 CV 1
OR { 81}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HG13))
OR { 81}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HG11))
ASSI { 82}
(( segid "A " and resid 77 and name H ))
( segid "A " and resid 76 and name HG2%)
2.600 .900 .900 peak 82 spectrum 1 weight .10000E+01 volume .48186E-02 ppm1 8.493 ppm2 1.044 CV 1
OR { 82}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HG23))
OR { 82}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HG21))
ASSI { 84}
(( segid "A " and resid 65 and name H ))
( segid "A " and resid 65 and name HG1%)
2.300 .700 .700 peak 84 spectrum 1 weight .10000E+01 volume .59434E-02 ppm1 8.934 ppm2 .515 CV 1
OR { 84}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HG12))
OR { 84}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HG11))
ASSI { 85}
(( segid "A " and resid 65 and name H ))
( segid "A " and resid 65 and name HG2%)
3.200 1.300 1.300 peak 85 spectrum 1 weight .10000E+01 volume .47425E-02 ppm1 8.935 ppm2 .760 CV 1
OR { 85}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HG22))
OR { 85}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HG21))
ASSI { 86}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HA ))
1.800 .400 .400 peak 86 spectrum 1 weight .10000E+01 volume .20267E-01 ppm1 8.714 ppm2 4.992 CV 1
OR { 86}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HA ))
ASSI { 87}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HB ))
2.000 .500 .500 peak 87 spectrum 1 weight .10000E+01 volume .16191E-01 ppm1 8.713 ppm2 1.905 CV 1
OR { 87}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HB ))
ASSI { 88}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name H ))
3.700 1.700 1.700 peak 88 spectrum 1 weight .10000E+01 volume .11010E-02 ppm1 8.399 ppm2 8.192 CV 1
OR { 88}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name H ))
OR { 88}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 69 and name H ))
ASSI { 90}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HA ))
1.900 .400 .400 peak 90 spectrum 1 weight .10000E+01 volume .11763E-01 ppm1 8.754 ppm2 5.097 CV 1
OR { 90}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HA ))
ASSI { 91}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 47 and name HA ))
2.100 .500 .500 peak 91 spectrum 1 weight .10000E+01 volume .97521E-02 ppm1 9.275 ppm2 5.092 CV 1
OR { 91}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 47 and name HA ))
ASSI { 93}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 55 and name H ))
4.300 2.300 1.700 peak 93 spectrum 1 weight .10000E+01 volume .63868E-03 ppm1 8.812 ppm2 9.361 CV 1
OR { 93}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 55 and name H ))
OR { 93}
(( segid "A " and resid 54 and name H ))
(( segid "B " and resid 62 and name H ))
ASSI { 94}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 68 and name H ))
4.400 2.400 1.600 peak 94 spectrum 1 weight .10000E+01 volume .66730E-03 ppm1 8.401 ppm2 9.064 CV 1
OR { 94}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 68 and name H ))
ASSI { 95}
(( segid "B " and resid 51 and name H ))
( segid "B " and resid 50 and name HD% )
2.800 1.000 1.000 peak 95 spectrum 1 weight .10000E+01 volume .56244E-02 ppm1 8.068 ppm2 7.090 CV 1
OR { 95}
(( segid "A " and resid 51 and name H ))
( segid "A " and resid 50 and name HD% )
OR { 95}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name H ))
ASSI { 96}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 52 and name H ))
3.600 1.600 1.600 peak 96 spectrum 1 weight .10000E+01 volume .23355E-02 ppm1 8.068 ppm2 7.932 CV 1
OR { 96}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 52 and name H ))
ASSI { 98}
(( segid "A " and resid 67 and name H ))
( segid "A " and resid 67 and name HG2%)
2.900 1.000 1.000 peak 98 spectrum 1 weight .10000E+01 volume .30981E-02 ppm1 8.396 ppm2 1.121 CV 1
OR { 98}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HG21))
OR { 98}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HG22))
ASSI { 99}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HA ))
2.400 .700 .700 peak 99 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.396 ppm2 3.916 CV 1
OR { 99}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HA ))
ASSI { 101}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 73 and name H ))
4.300 2.300 1.700 peak 101 spectrum 1 weight .10000E+01 volume .56244E-03 ppm1 9.448 ppm2 8.739 CV 1
OR { 101}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name H ))
ASSI { 103}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HA ))
1.700 .400 .500 peak 103 spectrum 1 weight .10000E+01 volume .25042E-01 ppm1 9.294 ppm2 5.279 CV 1
OR { 103}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HA ))
ASSI { 105}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name H ))
3.400 1.500 1.500 peak 105 spectrum 1 weight .10000E+01 volume .14442E-02 ppm1 8.747 ppm2 9.624 CV 1
OR { 105}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name H ))
ASSI { 106}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HG2 ))
3.100 1.200 1.200 peak 106 spectrum 1 weight .10000E+01 volume .19828E-02 ppm1 8.285 ppm2 1.433 CV 1
OR { 106}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HG3 ))
OR { 106}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HG3 ))
OR { 106}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HG2 ))
ASSI { 107}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HB2 ))
2.400 .700 .700 peak 107 spectrum 1 weight .10000E+01 volume .72113E-02 ppm1 8.283 ppm2 1.799 CV 1
OR { 107}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HB2 ))
OR { 107}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HB3 ))
OR { 107}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HB3 ))
ASSI { 108}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HA ))
2.500 .800 .800 peak 108 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.283 ppm2 4.335 CV 1
OR { 108}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HA ))
ASSI { 111}
(( segid "A " and resid 42 and name H ))
( segid "A " and resid 42 and name HB% )
2.200 .600 .600 peak 111 spectrum 1 weight .10000E+01 volume .14361E-01 ppm1 8.503 ppm2 1.359 CV 1
OR { 111}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HB1 ))
OR { 111}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HB2 ))
ASSI { 112}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HB3 ))
2.700 .900 .900 peak 112 spectrum 1 weight .10000E+01 volume .48569E-02 ppm1 8.504 ppm2 1.817 CV 1
OR { 112}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HB2 ))
OR { 112}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 41 and name HB3 ))
ASSI { 114}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HA ))
3.800 1.800 1.800 peak 114 spectrum 1 weight .10000E+01 volume .37177E-03 ppm1 8.507 ppm2 4.368 CV 1
OR { 114}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 41 and name HA ))
ASSI { 116}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 43 and name HB3 ))
5.500 3.800 .500 peak 116 spectrum 1 weight .10000E+01 volume .18112E-03 ppm1 8.507 ppm2 3.745 CV 1
OR { 116}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 43 and name HB3 ))
OR { 116}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 43 and name HB2 ))
OR { 116}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 43 and name HB2 ))
ASSI { 119}
(( segid "A " and resid 43 and name H ))
(( segid "B " and resid 75 and name HB3 ))
3.700 1.700 1.700 peak 119 spectrum 1 weight .10000E+01 volume .15538E-02 ppm1 8.315 ppm2 1.739 CV 1
OR { 119}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 44 and name HB3 ))
ASSI { 120}
(( segid "A " and resid 43 and name H ))
( segid "A " and resid 42 and name HB% )
2.200 .600 .600 peak 120 spectrum 1 weight .10000E+01 volume .14137E-01 ppm1 8.312 ppm2 1.356 CV 1
OR { 120}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 42 and name HB1 ))
OR { 120}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 42 and name HB3 ))
ASSI { 123}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HB3 ))
2.400 .700 .700 peak 123 spectrum 1 weight .10000E+01 volume .83124E-02 ppm1 8.311 ppm2 3.751 CV 1
OR { 123}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 43 and name HB3 ))
OR { 123}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HB2 ))
OR { 123}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 43 and name HB2 ))
ASSI { 124}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 42 and name HA ))
2.000 2.000 4.000 peak 124 spectrum 1 weight .10000E+01 volume .24876E-01 ppm1 8.311 ppm2 4.533 CV 1
OR { 124}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 42 and name HA ))
ASSI { 126}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HA ))
2.400 .700 .700 peak 126 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.312 ppm2 5.279 CV 1
OR { 126}
(( segid "B " and resid 43 and name H ))
(( segid "B " and resid 43 and name HA ))
ASSI { 128}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HG3 ))
3.400 1.400 1.400 peak 128 spectrum 1 weight .10000E+01 volume .15109E-02 ppm1 9.295 ppm2 2.309 CV 1
OR { 128}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HG3 ))
OR { 128}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HG2 ))
OR { 128}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HG2 ))
ASSI { 129}
(( segid "A " and resid 44 and name H ))
( segid "A " and resid 44 and name HE% )
3.600 1.600 1.600 peak 129 spectrum 1 weight .10000E+01 volume .18827E-02 ppm1 9.294 ppm2 1.923 CV 1
OR { 129}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HE2 ))
OR { 129}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HE1 ))
ASSI { 130}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HB2 ))
2.900 1.000 1.000 peak 130 spectrum 1 weight .10000E+01 volume .24261E-02 ppm1 9.300 ppm2 1.728 CV 1
OR { 130}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HB2 ))
OR { 130}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HB3 ))
OR { 130}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HB3 ))
ASSI { 131}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 73 and name HD12))
2.800 2.800 3.200 peak 131 spectrum 1 weight .10000E+01 volume .95994E-02 ppm1 9.294 ppm2 1.015 CV 1
OR { 131}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 73 and name HD13))
OR { 131}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name HG23))
OR { 131}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name HG21))
OR { 131}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name HG22))
ASSI { 132}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 73 and name HG21))
2.600 .900 .900 peak 132 spectrum 1 weight .10000E+01 volume .57101E-02 ppm1 9.287 ppm2 .850 CV 1
OR { 132}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 73 and name HG22))
OR { 132}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name HG11))
OR { 132}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name HG12))
OR { 132}
(( segid "A " and resid 44 and name H ))
(( segid "B " and resid 76 and name HG13))
ASSI { 134}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HA ))
2.400 .700 .700 peak 134 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.288 ppm2 4.811 CV 1
OR { 134}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HA ))
ASSI { 136}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HG3 ))
2.400 .700 .700 peak 136 spectrum 1 weight .10000E+01 volume .68111E-02 ppm1 8.719 ppm2 2.463 CV 1
OR { 136}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HG3 ))
OR { 136}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HG2 ))
OR { 136}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HG2 ))
ASSI { 137}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 44 and name HG3 ))
3.500 1.500 1.500 peak 137 spectrum 1 weight .10000E+01 volume .20019E-02 ppm1 8.720 ppm2 2.313 CV 1
OR { 137}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 44 and name HG3 ))
OR { 137}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 44 and name HG2 ))
OR { 137}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 44 and name HG2 ))
ASSI { 138}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HB3 ))
2.600 .800 .800 peak 138 spectrum 1 weight .10000E+01 volume .73211E-02 ppm1 8.716 ppm2 2.102 CV 1
OR { 138}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HB2 ))
ASSI { 139}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HB3 ))
2.000 .500 .500 peak 139 spectrum 1 weight .10000E+01 volume .15457E-01 ppm1 8.720 ppm2 1.915 CV 1
OR { 139}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HB2 ))
ASSI { 140}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 44 and name HA ))
2.100 .500 .500 peak 140 spectrum 1 weight .10000E+01 volume .97708E-02 ppm1 8.721 ppm2 4.785 CV 1
OR { 140}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 44 and name HA ))
ASSI { 141}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 78 and name HA3 ))
2.300 .600 .600 peak 141 spectrum 1 weight .10000E+01 volume .11611E-01 ppm1 8.167 ppm2 3.919 CV 1
OR { 141}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 78 and name HA2 ))
OR { 141}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 78 and name HA2 ))
OR { 141}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 78 and name HA3 ))
ASSI { 142}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HA ))
2.600 .800 .800 peak 142 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.167 ppm2 4.321 CV 1
OR { 142}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 79 and name HA ))
ASSI { 143}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HG3 ))
3.700 1.700 1.700 peak 143 spectrum 1 weight .10000E+01 volume .10915E-02 ppm1 8.459 ppm2 2.259 CV 1
OR { 143}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HG3 ))
OR { 143}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HG2 ))
OR { 143}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HG2 ))
ASSI { 144}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HB3 ))
3.100 1.200 1.200 peak 144 spectrum 1 weight .10000E+01 volume .41942E-02 ppm1 8.461 ppm2 2.039 CV 1
OR { 144}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HB2 ))
ASSI { 145}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HB3 ))
3.100 1.200 1.200 peak 145 spectrum 1 weight .10000E+01 volume .36224E-02 ppm1 8.459 ppm2 1.945 CV 1
OR { 145}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HB2 ))
ASSI { 146}
(( segid "A " and resid 78 and name H ))
(( segid "B " and resid 42 and name HB2 ))
3.100 1.200 1.200 peak 146 spectrum 1 weight .10000E+01 volume .19828E-02 ppm1 8.460 ppm2 1.363 CV 1
OR { 146}
(( segid "A " and resid 78 and name H ))
(( segid "B " and resid 42 and name HB1 ))
OR { 146}
(( segid "A " and resid 78 and name H ))
(( segid "B " and resid 42 and name HB3 ))
OR { 146}
(( segid "B " and resid 78 and name H ))
( segid "A " and resid 42 and name HB% )
ASSI { 147}
(( segid "A " and resid 78 and name H ))
( segid "A " and resid 76 and name HG2%)
3.400 1.400 1.400 peak 147 spectrum 1 weight .10000E+01 volume .82458E-03 ppm1 8.462 ppm2 1.041 CV 1
OR { 147}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 76 and name HG23))
OR { 147}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 76 and name HG21))
ASSI { 149}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 78 and name HA2 ))
2.600 .800 .800 peak 149 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.463 ppm2 3.909 CV 1
OR { 149}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HA2 ))
OR { 149}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HA3 ))
OR { 149}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 78 and name HA3 ))
ASSI { 151}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HG3 ))
3.000 1.100 1.100 peak 151 spectrum 1 weight .10000E+01 volume .69064E-02 ppm1 8.495 ppm2 2.218 CV 1
OR { 151}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HG3 ))
OR { 151}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HG2 ))
OR { 151}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HG2 ))
ASSI { 152}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HB2 ))
2.500 .800 .800 peak 152 spectrum 1 weight .10000E+01 volume .50811E-02 ppm1 8.495 ppm2 1.935 CV 1
OR { 152}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HB3 ))
ASSI { 153}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 52 and name HA2 ))
2.900 2.900 3.100 peak 153 spectrum 1 weight .10000E+01 volume .72924E-03 ppm1 8.498 ppm2 4.163 CV 1
OR { 153}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 52 and name HA3 ))
ASSI { 154}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 52 and name HA2 ))
2.800 2.800 3.200 peak 154 spectrum 1 weight .10000E+01 volume .92467E-03 ppm1 8.497 ppm2 3.986 CV 1
OR { 154}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 52 and name HA3 ))
ASSI { 155}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HA ))
2.500 .800 .800 peak 155 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.494 ppm2 4.372 CV 1
OR { 155}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HA ))
ASSI { 156}
(( segid "A " and resid 76 and name H ))
( segid "A " and resid 76 and name HG2%)
3.100 1.200 1.200 peak 156 spectrum 1 weight .10000E+01 volume .41562E-02 ppm1 8.757 ppm2 1.046 CV 1
OR { 156}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HG23))
OR { 156}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HG21))
ASSI { 157}
(( segid "A " and resid 76 and name H ))
( segid "A " and resid 76 and name HG1%)
2.200 .600 .600 peak 157 spectrum 1 weight .10000E+01 volume .69825E-02 ppm1 8.751 ppm2 .827 CV 1
OR { 157}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HG12))
OR { 157}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HG13))
ASSI { 158}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HB ))
2.500 .800 .800 peak 158 spectrum 1 weight .10000E+01 volume .66822E-02 ppm1 8.753 ppm2 2.201 CV 1
OR { 158}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HB ))
OR { 158}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HG2 ))
ASSI { 159}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HG2 ))
3.100 1.200 1.200 peak 159 spectrum 1 weight .10000E+01 volume .46664E-02 ppm1 8.753 ppm2 1.952 CV 1
OR { 159}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HG3 ))
OR { 159}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HB2 ))
OR { 159}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HB2 ))
ASSI { 160}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HB3 ))
3.700 1.800 1.800 peak 160 spectrum 1 weight .10000E+01 volume .23784E-02 ppm1 8.756 ppm2 1.755 CV 1
OR { 160}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HB3 ))
ASSI { 162}
(( segid "A " and resid 75 and name H ))
( segid "A " and resid 53 and name HG1%)
2.200 2.200 3.800 peak 162 spectrum 1 weight .10000E+01 volume .64775E-02 ppm1 9.632 ppm2 .886 CV 1
OR { 162}
(( segid "A " and resid 75 and name H ))
( segid "A " and resid 73 and name HG2%)
OR { 162}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 53 and name HG13))
OR { 162}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 53 and name HG11))
OR { 162}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 53 and name HG12))
OR { 162}
(( segid "A " and resid 75 and name H ))
( segid "A " and resid 54 and name HG2%)
ASSI { 163}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 75 and name HB2 ))
2.700 .900 .900 peak 163 spectrum 1 weight .10000E+01 volume .26644E-02 ppm1 9.628 ppm2 1.965 CV 1
OR { 163}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HB2 ))
OR { 163}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 75 and name HG3 ))
ASSI { 164}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HB3 ))
3.000 1.100 1.100 peak 164 spectrum 1 weight .10000E+01 volume .14442E-02 ppm1 9.624 ppm2 1.754 CV 1
OR { 164}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 75 and name HB3 ))
ASSI { 165}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 75 and name HG2 ))
4.400 2.500 1.600 peak 165 spectrum 1 weight .10000E+01 volume .73877E-03 ppm1 9.625 ppm2 2.193 CV 1
OR { 165}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HG3 ))
ASSI { 169}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 75 and name HA ))
2.400 .700 .700 peak 169 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.630 ppm2 5.096 CV 1
OR { 169}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HA ))
ASSI { 171}
(( segid "A " and resid 74 and name H ))
( segid "A " and resid 73 and name HG2%)
2.800 1.000 1.000 peak 171 spectrum 1 weight .10000E+01 volume .39036E-02 ppm1 9.447 ppm2 .997 CV 1
OR { 171}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HG21))
OR { 171}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HG22))
OR { 171}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HG23))
ASSI { 172}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 75 and name HB2 ))
3.800 1.800 1.800 peak 172 spectrum 1 weight .10000E+01 volume .12392E-02 ppm1 9.439 ppm2 1.930 CV 1
OR { 172}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 75 and name HB2 ))
OR { 172}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 72 and name HB2 ))
OR { 172}
(( segid "A " and resid 74 and name H ))
(( segid "B " and resid 45 and name HB2 ))
OR { 172}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 72 and name HB3 ))
OR { 172}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 75 and name HG3 ))
ASSI { 173}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HB ))
3.200 1.300 1.300 peak 173 spectrum 1 weight .10000E+01 volume .16968E-02 ppm1 9.441 ppm2 1.785 CV 1
OR { 173}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 73 and name HB ))
ASSI { 174}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HB2 ))
2.800 1.000 1.000 peak 174 spectrum 1 weight .10000E+01 volume .18589E-02 ppm1 9.447 ppm2 3.130 CV 1
OR { 174}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HB2 ))
OR { 174}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 175}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 73 and name HA ))
2.400 .700 .700 peak 175 spectrum 1 weight .10000E+01 volume .35271E-02 ppm1 9.447 ppm2 4.837 CV 1
OR { 175}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HA ))
ASSI { 176}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 57 and name HA ))
3.400 1.500 1.500 peak 176 spectrum 1 weight .10000E+01 volume .96755E-03 ppm1 8.731 ppm2 4.658 CV 1
OR { 176}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 57 and name HA ))
ASSI { 177}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HB2 ))
3.000 1.100 1.100 peak 177 spectrum 1 weight .10000E+01 volume .27978E-02 ppm1 8.725 ppm2 1.916 CV 1
OR { 177}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 72 and name HB2 ))
OR { 177}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 72 and name HB3 ))
OR { 177}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HB3 ))
ASSI { 178}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HB ))
2.700 .900 .900 peak 178 spectrum 1 weight .10000E+01 volume .31744E-02 ppm1 8.730 ppm2 1.807 CV 1
OR { 178}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 73 and name HB ))
ASSI { 179}
(( segid "A " and resid 73 and name H ))
( segid "A " and resid 73 and name HD1%)
3.700 1.700 1.700 peak 179 spectrum 1 weight .10000E+01 volume .28074E-02 ppm1 8.727 ppm2 1.003 CV 1
OR { 179}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 73 and name HD13))
OR { 179}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 73 and name HD11))
OR { 179}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 73 and name HD12))
ASSI { 180}
(( segid "B " and resid 73 and name H ))
( segid "B " and resid 73 and name HG1%)
2.800 1.000 1.000 peak 180 spectrum 1 weight .10000E+01 volume .17111E-02 ppm1 8.727 ppm2 1.165 CV 1
OR { 180}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HG13))
OR { 180}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HG12))
ASSI { 183}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name HB3 ))
2.700 .900 .900 peak 183 spectrum 1 weight .10000E+01 volume .46851E-02 ppm1 8.662 ppm2 3.893 CV 1
OR { 183}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 69 and name HB3 ))
OR { 183}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name HB2 ))
OR { 183}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 69 and name HB2 ))
ASSI { 185}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HG3 ))
2.800 1.000 1.000 peak 185 spectrum 1 weight .10000E+01 volume .26072E-02 ppm1 7.734 ppm2 2.413 CV 1
OR { 185}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HG3 ))
OR { 185}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HG2 ))
OR { 185}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HG2 ))
ASSI { 186}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HB ))
2.700 .900 .900 peak 186 spectrum 1 weight .10000E+01 volume .34460E-02 ppm1 7.735 ppm2 1.935 CV 1
OR { 186}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HB ))
OR { 186}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HB2 ))
OR { 186}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HB3 ))
OR { 186}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HB3 ))
ASSI { 187}
(( segid "B " and resid 72 and name H ))
( segid "B " and resid 71 and name HG1%)
2.200 .600 .600 peak 187 spectrum 1 weight .10000E+01 volume .32363E-02 ppm1 7.731 ppm2 1.606 CV 1
OR { 187}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HG13))
ASSI { 189}
(( segid "A " and resid 72 and name H ))
( segid "A " and resid 71 and name HG2%)
3.400 1.400 1.400 peak 189 spectrum 1 weight .10000E+01 volume .47284E-02 ppm1 7.733 ppm2 .911 CV 1
OR { 189}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HG22))
OR { 189}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HG21))
OR { 189}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HG23))
ASSI { 190}
(( segid "A " and resid 72 and name H ))
( segid "A " and resid 71 and name HD1%)
3.400 1.400 1.400 peak 190 spectrum 1 weight .10000E+01 volume .57720E-02 ppm1 7.732 ppm2 .764 CV 1
OR { 190}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HD11))
OR { 190}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HD12))
OR { 190}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HD13))
ASSI { 191}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 70 and name HA ))
3.600 1.600 1.600 peak 191 spectrum 1 weight .10000E+01 volume .32840E-02 ppm1 7.731 ppm2 4.195 CV 1
OR { 191}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 70 and name HA ))
ASSI { 192}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HA ))
2.500 .800 .800 peak 192 spectrum 1 weight .10000E+01 volume .31934E-02 ppm1 8.728 ppm2 4.869 CV 1
OR { 192}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 72 and name HA ))
ASSI { 193}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HA ))
2.400 .700 .700 peak 193 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 7.736 ppm2 4.849 CV 1
OR { 193}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HA ))
OR { 193}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HA ))
OR { 193}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 71 and name HA ))
ASSI { 194}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HB ))
3.600 1.600 1.600 peak 194 spectrum 1 weight .10000E+01 volume .16492E-02 ppm1 8.665 ppm2 1.922 CV 1
OR { 194}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 72 and name HB2 ))
ASSI { 195}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HG13))
2.600 .900 .900 peak 195 spectrum 1 weight .10000E+01 volume .22020E-02 ppm1 8.657 ppm2 1.594 CV 1
OR { 195}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name HB3 ))
OR { 195}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name HB2 ))
ASSI { 197}
(( segid "A " and resid 71 and name H ))
( segid "A " and resid 71 and name HG2%)
3.000 1.200 1.200 peak 197 spectrum 1 weight .10000E+01 volume .28741E-02 ppm1 8.658 ppm2 .902 CV 1
OR { 197}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HG22))
OR { 197}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HG21))
ASSI { 198}
(( segid "A " and resid 70 and name H ))
(( segid "B " and resid 47 and name HB2 ))
4.000 2.000 2.000 peak 198 spectrum 1 weight .10000E+01 volume .10438E-02 ppm1 8.664 ppm2 1.888 CV 1
OR { 198}
(( segid "A " and resid 70 and name H ))
(( segid "B " and resid 45 and name HB2 ))
ASSI { 199}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HB2 ))
2.200 .600 .600 peak 199 spectrum 1 weight .10000E+01 volume .10681E-01 ppm1 8.660 ppm2 1.585 CV 1
OR { 199}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HG ))
OR { 199}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HB2 ))
OR { 199}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HG ))
OR { 199}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HB3 ))
ASSI { 200}
(( segid "A " and resid 70 and name H ))
( segid "A " and resid 70 and name HD1%)
2.800 1.000 1.000 peak 200 spectrum 1 weight .10000E+01 volume .45183E-02 ppm1 8.661 ppm2 .848 CV 1
OR { 200}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HD11))
OR { 200}
(( segid "A " and resid 70 and name H ))
( segid "A " and resid 70 and name HD2%)
OR { 200}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HD13))
OR { 200}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HD12))
OR { 200}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HD23))
ASSI { 202}
(( segid "A " and resid 69 and name H ))
( segid "A " and resid 65 and name HG2%)
3.400 1.400 1.400 peak 202 spectrum 1 weight .10000E+01 volume .13393E-02 ppm1 8.209 ppm2 .782 CV 1
OR { 202}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 65 and name HG22))
OR { 202}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 65 and name HG23))
ASSI { 203}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 66 and name HB2 ))
2.800 1.000 1.000 peak 203 spectrum 1 weight .10000E+01 volume .22163E-02 ppm1 8.206 ppm2 1.877 CV 1
OR { 203}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 66 and name HB3 ))
OR { 203}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 66 and name HB3 ))
ASSI { 205}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 69 and name HA ))
2.500 .800 .800 peak 205 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.205 ppm2 4.340 CV 1
OR { 205}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HA ))
ASSI { 206}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 69 and name HB2 ))
2.500 .800 .800 peak 206 spectrum 1 weight .10000E+01 volume .56622E-02 ppm1 8.206 ppm2 3.891 CV 1
OR { 206}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HB2 ))
OR { 206}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 69 and name HB3 ))
OR { 206}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HB3 ))
ASSI { 207}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 68 and name HA2 ))
3.200 1.300 1.300 peak 207 spectrum 1 weight .10000E+01 volume .18875E-02 ppm1 8.202 ppm2 3.619 CV 1
OR { 207}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name HA2 ))
ASSI { 208}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name HA3 ))
3.200 1.300 1.300 peak 208 spectrum 1 weight .10000E+01 volume .18875E-02 ppm1 8.205 ppm2 3.281 CV 1
OR { 208}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 68 and name HA3 ))
ASSI { 210}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HA ))
2.700 .900 .900 peak 210 spectrum 1 weight .10000E+01 volume .18922E-02 ppm1 9.069 ppm2 3.924 CV 1
OR { 210}
(( segid "B " and resid 68 and name H ))
(( segid "B " and resid 67 and name HA ))
ASSI { 211}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 68 and name HA2 ))
2.500 .800 .800 peak 211 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.073 ppm2 3.615 CV 1
OR { 211}
(( segid "B " and resid 68 and name H ))
(( segid "B " and resid 68 and name HA2 ))
ASSI { 212}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 68 and name HA3 ))
2.500 .800 .800 peak 212 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.074 ppm2 3.283 CV 1
OR { 212}
(( segid "B " and resid 68 and name H ))
(( segid "B " and resid 68 and name HA3 ))
OR { 212}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HB ))
ASSI { 214}
(( segid "A " and resid 68 and name H ))
( segid "A " and resid 67 and name HG2%)
3.000 1.100 1.100 peak 214 spectrum 1 weight .10000E+01 volume .37606E-02 ppm1 9.069 ppm2 1.129 CV 1
OR { 214}
(( segid "B " and resid 68 and name H ))
(( segid "B " and resid 67 and name HG22))
OR { 214}
(( segid "B " and resid 68 and name H ))
(( segid "B " and resid 67 and name HG21))
ASSI { 215}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HB ))
2.800 1.000 1.000 peak 215 spectrum 1 weight .10000E+01 volume .25166E-02 ppm1 8.394 ppm2 3.285 CV 1
OR { 215}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HB ))
ASSI { 216}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HB3 ))
2.800 1.000 1.000 peak 216 spectrum 1 weight .10000E+01 volume .26119E-02 ppm1 8.399 ppm2 1.889 CV 1
OR { 216}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HB3 ))
OR { 216}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HB2 ))
OR { 216}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HB2 ))
ASSI { 218}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HG2 ))
3.700 1.700 1.700 peak 218 spectrum 1 weight .10000E+01 volume .19923E-02 ppm1 8.396 ppm2 1.456 CV 1
OR { 218}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HG2 ))
OR { 218}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HG3 ))
OR { 218}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HG3 ))
ASSI { 219}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HA ))
2.200 .600 .600 peak 219 spectrum 1 weight .10000E+01 volume .70969E-02 ppm1 8.395 ppm2 4.558 CV 1
OR { 219}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HA ))
ASSI { 220}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HB2 ))
2.500 .800 .800 peak 220 spectrum 1 weight .10000E+01 volume .51618E-02 ppm1 8.177 ppm2 1.874 CV 1
OR { 220}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HB3 ))
OR { 220}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HB3 ))
OR { 220}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 65 and name HB ))
OR { 220}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HB ))
ASSI { 221}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HD2 ))
3.100 1.200 1.200 peak 221 spectrum 1 weight .10000E+01 volume .48856E-02 ppm1 8.176 ppm2 1.656 CV 1
OR { 221}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HD2 ))
OR { 221}
(( segid "B " and resid 66 and name H ))
( segid "A " and resid 51 and name HB% )
OR { 221}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HD3 ))
OR { 221}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HD3 ))
ASSI { 222}
(( segid "A " and resid 66 and name H ))
( segid "A " and resid 65 and name HG2%)
2.300 .700 .700 peak 222 spectrum 1 weight .10000E+01 volume .59675E-02 ppm1 8.172 ppm2 .778 CV 1
OR { 222}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HG22))
OR { 222}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HG23))
ASSI { 223}
(( segid "A " and resid 66 and name H ))
( segid "A " and resid 65 and name HG1%)
3.100 1.200 1.200 peak 223 spectrum 1 weight .10000E+01 volume .38226E-02 ppm1 8.177 ppm2 .522 CV 1
OR { 223}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HG11))
OR { 223}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HG13))
ASSI { 226}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HG2 ))
3.500 1.500 1.500 peak 226 spectrum 1 weight .10000E+01 volume .14918E-02 ppm1 8.936 ppm2 1.400 CV 1
OR { 226}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HG2 ))
OR { 226}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HG3 ))
OR { 226}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HG3 ))
ASSI { 227}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 54 and name HG21))
2.900 1.100 1.100 peak 227 spectrum 1 weight .10000E+01 volume .49522E-02 ppm1 8.932 ppm2 .910 CV 1
OR { 227}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 54 and name HG23))
OR { 227}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 54 and name HG22))
OR { 227}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 53 and name HG13))
OR { 227}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 53 and name HG12))
OR { 227}
(( segid "A " and resid 65 and name H ))
(( segid "B " and resid 53 and name HG11))
ASSI { 228}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HA ))
2.000 .500 .500 peak 228 spectrum 1 weight .10000E+01 volume .88465E-02 ppm1 8.932 ppm2 4.651 CV 1
OR { 228}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HA ))
ASSI { 229}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HA ))
2.400 .700 .700 peak 229 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.932 ppm2 4.468 CV 1
OR { 229}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 65 and name HA ))
ASSI { 230}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 65 and name HA ))
1.900 .500 .500 peak 230 spectrum 1 weight .10000E+01 volume .15224E-01 ppm1 8.177 ppm2 4.453 CV 1
OR { 230}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HA ))
ASSI { 231}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HB3 ))
2.900 1.100 1.100 peak 231 spectrum 1 weight .10000E+01 volume .32554E-02 ppm1 8.935 ppm2 1.736 CV 1
OR { 231}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HB3 ))
OR { 231}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HB2 ))
OR { 231}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 232}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 53 and name HG13))
3.200 1.300 1.300 peak 232 spectrum 1 weight .10000E+01 volume .28598E-02 ppm1 8.577 ppm2 .906 CV 1
OR { 232}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 53 and name HG12))
OR { 232}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 53 and name HG11))
OR { 232}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 54 and name HG13))
OR { 232}
(( segid "A " and resid 64 and name H ))
(( segid "B " and resid 54 and name HG12))
ASSI { 234}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HG3 ))
2.600 .800 .800 peak 234 spectrum 1 weight .10000E+01 volume .36701E-02 ppm1 8.574 ppm2 1.418 CV 1
OR { 234}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 64 and name HG3 ))
OR { 234}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HG2 ))
OR { 234}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 64 and name HG2 ))
ASSI { 235}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name HB3 ))
3.200 1.200 1.200 peak 235 spectrum 1 weight .10000E+01 volume .47042E-02 ppm1 8.576 ppm2 2.536 CV 1
OR { 235}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HB2 ))
ASSI { 237}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 64 and name HB2 ))
2.400 .700 .700 peak 237 spectrum 1 weight .10000E+01 volume .73353E-02 ppm1 8.574 ppm2 1.738 CV 1
OR { 237}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HB2 ))
OR { 237}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 64 and name HB3 ))
OR { 237}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HB3 ))
ASSI { 238}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HA ))
2.000 .500 .500 peak 238 spectrum 1 weight .10000E+01 volume .13846E-01 ppm1 8.575 ppm2 4.599 CV 1
OR { 238}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name HA ))
ASSI { 239}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HA2 ))
3.100 1.200 1.200 peak 239 spectrum 1 weight .10000E+01 volume .24308E-02 ppm1 8.032 ppm2 3.485 CV 1
OR { 239}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HA2 ))
ASSI { 240}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 61 and name HA ))
3.300 1.400 1.400 peak 240 spectrum 1 weight .10000E+01 volume .20972E-02 ppm1 8.031 ppm2 3.269 CV 1
OR { 240}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 61 and name HA ))
ASSI { 241}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 63 and name HB2 ))
2.600 .900 .900 peak 241 spectrum 1 weight .10000E+01 volume .42230E-02 ppm1 8.031 ppm2 2.841 CV 1
OR { 241}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HB3 ))
ASSI { 242}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HB2 ))
2.500 .800 .800 peak 242 spectrum 1 weight .10000E+01 volume .51427E-02 ppm1 8.032 ppm2 2.539 CV 1
OR { 242}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 63 and name HB3 ))
ASSI { 247}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HB3 ))
3.400 1.500 1.500 peak 247 spectrum 1 weight .10000E+01 volume .28217E-02 ppm1 8.576 ppm2 2.839 CV 1
OR { 247}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 249}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HA3 ))
2.400 .700 .700 peak 249 spectrum 1 weight .10000E+01 volume .47616E-02 ppm1 9.277 ppm2 4.469 CV 1
OR { 249}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 62 and name HA3 ))
ASSI { 250}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 62 and name HA2 ))
2.400 .700 .700 peak 250 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.280 ppm2 3.485 CV 1
OR { 250}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HA2 ))
ASSI { 251}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name HA ))
2.200 .600 .600 peak 251 spectrum 1 weight .10000E+01 volume .49809E-02 ppm1 9.276 ppm2 3.266 CV 1
OR { 251}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HA ))
ASSI { 253}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name HB ))
3.700 1.700 1.700 peak 253 spectrum 1 weight .10000E+01 volume .11344E-02 ppm1 9.274 ppm2 1.902 CV 1
OR { 253}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HB ))
ASSI { 254}
(( segid "A " and resid 62 and name H ))
( segid "A " and resid 61 and name HG1%)
2.400 .700 .700 peak 254 spectrum 1 weight .10000E+01 volume .80025E-02 ppm1 9.275 ppm2 .975 CV 1
OR { 254}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name HG13))
OR { 254}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name HG11))
ASSI { 255}
(( segid "A " and resid 61 and name H ))
( segid "A " and resid 61 and name HG2%)
2.200 .600 .600 peak 255 spectrum 1 weight .10000E+01 volume .13236E-01 ppm1 8.714 ppm2 .999 CV 1
OR { 255}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HG23))
OR { 255}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HG22))
OR { 255}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HG21))
OR { 255}
(( segid "A " and resid 61 and name H ))
( segid "A " and resid 61 and name HG1%)
ASSI { 256}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HA ))
2.400 .700 .700 peak 256 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.176 ppm2 4.573 CV 1
OR { 256}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HA ))
ASSI { 257}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 60 and name HA ))
2.900 1.000 1.000 peak 257 spectrum 1 weight .10000E+01 volume .10915E-02 ppm1 7.972 ppm2 5.001 CV 1
OR { 257}
(( segid "A " and resid 60 and name HD21))
(( segid "A " and resid 60 and name HA ))
ASSI { 258}
(( segid "A " and resid 60 and name HD21))
(( segid "A " and resid 59 and name HB ))
3.900 1.900 1.900 peak 258 spectrum 1 weight .10000E+01 volume .68635E-03 ppm1 7.977 ppm2 2.360 CV 1
OR { 258}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 59 and name HB ))
ASSI { 259}
(( segid "A " and resid 60 and name HD21))
( segid "A " and resid 61 and name HG2%)
3.700 1.700 1.700 peak 259 spectrum 1 weight .10000E+01 volume .12059E-02 ppm1 7.973 ppm2 1.022 CV 1
OR { 259}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 61 and name HG23))
OR { 259}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 61 and name HG22))
OR { 259}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 61 and name HG21))
ASSI { 260}
(( segid "A " and resid 60 and name HD21))
( segid "A " and resid 59 and name HG2%)
3.000 3.000 3.000 peak 260 spectrum 1 weight .10000E+01 volume .74829E-03 ppm1 7.975 ppm2 .887 CV 1
OR { 260}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 59 and name HG21))
OR { 260}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 59 and name HG22))
OR { 260}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 59 and name HG23))
OR { 260}
(( segid "B " and resid 60 and name HD21))
( segid "A " and resid 54 and name HG2%)
ASSI { 262}
(( segid "A " and resid 60 and name HD22))
( segid "A " and resid 57 and name HD2%)
2.900 1.100 1.100 peak 262 spectrum 1 weight .10000E+01 volume .61963E-03 ppm1 6.972 ppm2 1.119 CV 1
OR { 262}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 57 and name HD21))
OR { 262}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 57 and name HD22))
ASSI { 263}
(( segid "A " and resid 60 and name HD22))
( segid "A " and resid 57 and name HD1%)
2.900 1.000 1.000 peak 263 spectrum 1 weight .10000E+01 volume .69588E-03 ppm1 6.973 ppm2 1.000 CV 1
OR { 263}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 57 and name HD11))
OR { 263}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 57 and name HD12))
OR { 263}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 57 and name HD13))
OR { 263}
(( segid "A " and resid 60 and name HD22))
( segid "A " and resid 61 and name HG2%)
OR { 263}
(( segid "B " and resid 60 and name HD22))
( segid "A " and resid 61 and name HG2%)
OR { 263}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 61 and name HG23))
OR { 263}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 61 and name HG22))
OR { 263}
(( segid "A " and resid 60 and name HD22))
(( segid "B " and resid 61 and name HG21))
ASSI { 264}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name HB3 ))
3.500 1.500 1.500 peak 264 spectrum 1 weight .10000E+01 volume .24642E-02 ppm1 6.971 ppm2 2.774 CV 1
OR { 264}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 265}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name HB2 ))
3.100 1.200 1.200 peak 265 spectrum 1 weight .10000E+01 volume .54289E-02 ppm1 6.970 ppm2 2.575 CV 1
OR { 265}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 266}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name HA ))
4.700 4.700 1.300 peak 266 spectrum 1 weight .10000E+01 volume .88652E-03 ppm1 6.971 ppm2 4.991 CV 1
OR { 266}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name HA ))
ASSI { 267}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name HD21))
1.400 .200 .800 peak 267 spectrum 1 weight .10000E+01 volume .59692E-01 ppm1 6.970 ppm2 7.968 CV 1
OR { 267}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name HD21))
ASSI { 268}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name H ))
4.100 2.100 1.900 peak 268 spectrum 1 weight .10000E+01 volume .96755E-03 ppm1 6.969 ppm2 8.971 CV 1
OR { 268}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name H ))
ASSI { 269}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB3 ))
2.400 .700 .700 peak 269 spectrum 1 weight .10000E+01 volume .62155E-02 ppm1 8.965 ppm2 2.798 CV 1
OR { 269}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HB3 ))
ASSI { 270}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB2 ))
2.300 .600 .600 peak 270 spectrum 1 weight .10000E+01 volume .10005E-01 ppm1 8.967 ppm2 2.556 CV 1
OR { 270}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 271}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HA ))
2.500 .800 .800 peak 271 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.967 ppm2 4.993 CV 1
OR { 271}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HA ))
ASSI { 272}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HA ))
2.500 .800 .800 peak 272 spectrum 1 weight .10000E+01 volume .47566E-02 ppm1 7.142 ppm2 4.686 CV 1
OR { 272}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HA ))
OR { 272}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 58 and name HA ))
OR { 272}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HA ))
ASSI { 273}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HB ))
3.500 1.500 1.500 peak 273 spectrum 1 weight .10000E+01 volume .14537E-02 ppm1 7.140 ppm2 2.321 CV 1
OR { 273}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HB ))
ASSI { 274}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 57 and name HB3 ))
3.100 1.200 1.200 peak 274 spectrum 1 weight .10000E+01 volume .32554E-02 ppm1 7.143 ppm2 1.961 CV 1
OR { 274}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 57 and name HB3 ))
OR { 274}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 57 and name HB2 ))
OR { 274}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 57 and name HB2 ))
ASSI { 275}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 57 and name HG ))
3.100 1.200 1.200 peak 275 spectrum 1 weight .10000E+01 volume .20781E-02 ppm1 7.142 ppm2 1.724 CV 1
OR { 275}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 57 and name HG ))
ASSI { 276}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 58 and name HD2 ))
3.400 1.400 1.400 peak 276 spectrum 1 weight .10000E+01 volume .17492E-02 ppm1 7.137 ppm2 1.612 CV 1
OR { 276}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HD2 ))
ASSI { 277}
(( segid "A " and resid 59 and name H ))
( segid "A " and resid 59 and name HG1%)
2.600 .800 .800 peak 277 spectrum 1 weight .10000E+01 volume .64775E-02 ppm1 7.141 ppm2 1.024 CV 1
OR { 277}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HG13))
OR { 277}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HG11))
ASSI { 278}
(( segid "A " and resid 59 and name H ))
( segid "A " and resid 59 and name HG2%)
2.300 .600 .600 peak 278 spectrum 1 weight .10000E+01 volume .74829E-02 ppm1 7.142 ppm2 .912 CV 1
OR { 278}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HG22))
OR { 278}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HG21))
ASSI { 279}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 59 and name HB ))
3.900 1.900 1.900 peak 279 spectrum 1 weight .10000E+01 volume .13298E-02 ppm1 7.816 ppm2 2.358 CV 1
OR { 279}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 59 and name HB ))
OR { 279}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 72 and name HG2 ))
ASSI { 280}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HB3 ))
2.700 .900 .900 peak 280 spectrum 1 weight .10000E+01 volume .32268E-02 ppm1 7.812 ppm2 1.948 CV 1
OR { 280}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name HB3 ))
OR { 280}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name HB2 ))
OR { 280}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HB2 ))
OR { 280}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HB2 ))
ASSI { 281}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name HG ))
2.800 1.000 1.000 peak 281 spectrum 1 weight .10000E+01 volume .23689E-02 ppm1 7.811 ppm2 1.746 CV 1
OR { 281}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HG ))
ASSI { 282}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HD2 ))
3.300 1.300 1.300 peak 282 spectrum 1 weight .10000E+01 volume .13918E-02 ppm1 7.820 ppm2 1.619 CV 1
OR { 282}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HD2 ))
ASSI { 283}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HB3 ))
3.100 1.200 1.200 peak 283 spectrum 1 weight .10000E+01 volume .24261E-02 ppm1 7.810 ppm2 1.153 CV 1
OR { 283}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HB3 ))
OR { 283}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HG3 ))
OR { 283}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HG3 ))
OR { 283}
(( segid "A " and resid 58 and name H ))
( segid "A " and resid 57 and name HD2%)
OR { 283}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HD22))
ASSI { 284}
(( segid "A " and resid 58 and name H ))
( segid "A " and resid 57 and name HD1%)
3.000 1.200 1.200 peak 284 spectrum 1 weight .10000E+01 volume .34318E-02 ppm1 7.813 ppm2 1.028 CV 1
OR { 284}
(( segid "A " and resid 58 and name H ))
( segid "A " and resid 59 and name HG1%)
OR { 284}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HD13))
OR { 284}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HD11))
OR { 284}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 59 and name HG13))
OR { 284}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HD12))
ASSI { 285}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 57 and name HA ))
2.400 .700 .700 peak 285 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 7.814 ppm2 4.657 CV 1
OR { 285}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name HA ))
OR { 285}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HA ))
OR { 285}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HA ))
ASSI { 286}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 71 and name HA ))
3.000 3.000 3.000 peak 286 spectrum 1 weight .10000E+01 volume .17921E-02 ppm1 7.810 ppm2 4.850 CV 1
OR { 286}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 71 and name HA ))
ASSI { 288}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HG3 ))
3.200 1.300 1.300 peak 288 spectrum 1 weight .10000E+01 volume .16587E-02 ppm1 9.237 ppm2 2.179 CV 1
OR { 288}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HG3 ))
OR { 288}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HG2 ))
OR { 288}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HG2 ))
ASSI { 289}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HB3 ))
2.600 .900 .900 peak 289 spectrum 1 weight .10000E+01 volume .36367E-02 ppm1 9.242 ppm2 1.923 CV 1
OR { 289}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HB3 ))
OR { 289}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HB2 ))
OR { 289}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HB2 ))
ASSI { 290}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HG ))
2.900 1.100 1.100 peak 290 spectrum 1 weight .10000E+01 volume .41897E-02 ppm1 9.241 ppm2 1.782 CV 1
OR { 290}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HB3 ))
OR { 290}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HB3 ))
OR { 290}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HB2 ))
OR { 290}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HB2 ))
ASSI { 291}
(( segid "A " and resid 57 and name H ))
( segid "A " and resid 57 and name HD1%)
2.900 1.100 1.100 peak 291 spectrum 1 weight .10000E+01 volume .37225E-02 ppm1 9.243 ppm2 1.017 CV 1
OR { 291}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HD12))
OR { 291}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HD13))
OR { 291}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HD11))
ASSI { 292}
(( segid "A " and resid 57 and name H ))
( segid "A " and resid 54 and name HG2%)
3.300 3.300 2.700 peak 292 spectrum 1 weight .10000E+01 volume .96755E-03 ppm1 9.237 ppm2 .860 CV 1
OR { 292}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 54 and name HG22))
ASSI { 293}
(( segid "B " and resid 56 and name H ))
( segid "B " and resid 74 and name HD% )
4.400 2.400 1.600 peak 293 spectrum 1 weight .10000E+01 volume .87225E-03 ppm1 7.836 ppm2 6.958 CV 1
OR { 293}
(( segid "A " and resid 56 and name H ))
( segid "A " and resid 74 and name HD% )
ASSI { 294}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 72 and name HA ))
3.500 1.500 1.500 peak 294 spectrum 1 weight .10000E+01 volume .13298E-02 ppm1 7.830 ppm2 4.868 CV 1
OR { 294}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 72 and name HA ))
OR { 294}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 73 and name HA ))
ASSI { 295}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 54 and name HA ))
4.000 2.000 2.000 peak 295 spectrum 1 weight .10000E+01 volume .15824E-02 ppm1 7.840 ppm2 3.671 CV 1
OR { 295}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HA ))
ASSI { 296}
(( segid "A " and resid 56 and name H ))
( segid "A " and resid 54 and name HG1%)
2.800 .900 .900 peak 296 spectrum 1 weight .10000E+01 volume .37940E-02 ppm1 7.837 ppm2 .993 CV 1
OR { 296}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HG11))
OR { 296}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HG12))
OR { 296}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HG13))
ASSI { 297}
(( segid "A " and resid 56 and name H ))
( segid "A " and resid 54 and name HG2%)
3.500 1.500 1.500 peak 297 spectrum 1 weight .10000E+01 volume .36462E-02 ppm1 7.835 ppm2 .868 CV 1
OR { 297}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HG22))
OR { 297}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HG21))
ASSI { 298}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HG2 ))
4.000 2.000 2.000 peak 298 spectrum 1 weight .10000E+01 volume .89130E-03 ppm1 7.830 ppm2 2.205 CV 1
OR { 298}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 56 and name HG2 ))
OR { 298}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HG3 ))
OR { 298}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 56 and name HG3 ))
ASSI { 299}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB3 ))
2.300 .700 .700 peak 299 spectrum 1 weight .10000E+01 volume .76023E-02 ppm1 7.834 ppm2 1.770 CV 1
OR { 299}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 55 and name HB3 ))
OR { 299}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 55 and name HB2 ))
OR { 299}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB2 ))
ASSI { 301}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HB ))
3.400 1.500 1.500 peak 301 spectrum 1 weight .10000E+01 volume .19828E-02 ppm1 9.402 ppm2 2.406 CV 1
OR { 301}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 54 and name HB ))
ASSI { 302}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 75 and name HB2 ))
3.800 1.800 1.800 peak 302 spectrum 1 weight .10000E+01 volume .86269E-03 ppm1 9.396 ppm2 1.921 CV 1
OR { 302}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 75 and name HB2 ))
OR { 302}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 72 and name HB2 ))
OR { 302}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 72 and name HB3 ))
ASSI { 303}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 55 and name HB2 ))
2.600 .800 .800 peak 303 spectrum 1 weight .10000E+01 volume .32745E-02 ppm1 9.401 ppm2 1.742 CV 1
OR { 303}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB2 ))
OR { 303}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB3 ))
OR { 303}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 55 and name HB3 ))
ASSI { 304}
(( segid "A " and resid 55 and name H ))
( segid "A " and resid 54 and name HG1%)
2.600 .900 .900 peak 304 spectrum 1 weight .10000E+01 volume .66393E-02 ppm1 9.402 ppm2 .873 CV 1
OR { 304}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 54 and name HG11))
OR { 304}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 54 and name HG12))
OR { 304}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 54 and name HG13))
OR { 304}
(( segid "A " and resid 55 and name H ))
( segid "A " and resid 54 and name HG2%)
ASSI { 305}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HA ))
2.500 .800 .800 peak 305 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.396 ppm2 4.608 CV 1
OR { 305}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 55 and name HA ))
ASSI { 306}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HA ))
2.200 .600 .600 peak 306 spectrum 1 weight .10000E+01 volume .57146E-02 ppm1 9.406 ppm2 3.670 CV 1
OR { 306}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 54 and name HA ))
ASSI { 307}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 56 and name HA ))
2.700 .900 .900 peak 307 spectrum 1 weight .10000E+01 volume .32363E-02 ppm1 7.834 ppm2 4.583 CV 1
OR { 307}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HA ))
OR { 307}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HA ))
ASSI { 308}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 53 and name HA ))
2.400 .700 .700 peak 308 spectrum 1 weight .10000E+01 volume .29885E-02 ppm1 8.810 ppm2 4.749 CV 1
OR { 308}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 53 and name HA ))
ASSI { 309}
(( segid "B " and resid 54 and name H ))
(( segid "A " and resid 64 and name HA ))
2.900 1.100 1.100 peak 309 spectrum 1 weight .10000E+01 volume .15633E-02 ppm1 8.809 ppm2 4.627 CV 1
OR { 309}
(( segid "A " and resid 54 and name H ))
(( segid "B " and resid 64 and name HA ))
ASSI { 310}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HA ))
3.000 1.100 1.100 peak 310 spectrum 1 weight .10000E+01 volume .11249E-02 ppm1 8.806 ppm2 3.663 CV 1
OR { 310}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HA ))
ASSI { 311}
(( segid "A " and resid 54 and name H ))
(( segid "B " and resid 61 and name HA ))
4.900 3.000 1.100 peak 311 spectrum 1 weight .10000E+01 volume .72450E-03 ppm1 8.804 ppm2 3.277 CV 1
OR { 311}
(( segid "B " and resid 54 and name H ))
(( segid "A " and resid 61 and name HA ))
ASSI { 312}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HB ))
2.600 .900 .900 peak 312 spectrum 1 weight .10000E+01 volume .18350E-02 ppm1 8.810 ppm2 2.394 CV 1
OR { 312}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HB ))
ASSI { 313}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 53 and name HB ))
3.400 1.400 1.400 peak 313 spectrum 1 weight .10000E+01 volume .12488E-02 ppm1 8.804 ppm2 1.832 CV 1
OR { 313}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 53 and name HB ))
ASSI { 314}
(( segid "A " and resid 54 and name H ))
( segid "A " and resid 54 and name HG2%)
2.300 .700 .700 peak 314 spectrum 1 weight .10000E+01 volume .83935E-02 ppm1 8.810 ppm2 .898 CV 1
OR { 314}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HG21))
OR { 314}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HG22))
OR { 314}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HG23))
OR { 314}
(( segid "A " and resid 54 and name H ))
( segid "A " and resid 54 and name HG1%)
ASSI { 315}
(( segid "A " and resid 54 and name H ))
( segid "A " and resid 53 and name HG2%)
3.200 1.300 1.300 peak 315 spectrum 1 weight .10000E+01 volume .42849E-02 ppm1 8.810 ppm2 .735 CV 1
OR { 315}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 53 and name HG23))
OR { 315}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 53 and name HG22))
ASSI { 316}
(( segid "B " and resid 54 and name H ))
( segid "A " and resid 65 and name HG1%)
3.900 1.900 1.900 peak 316 spectrum 1 weight .10000E+01 volume .81980E-03 ppm1 8.808 ppm2 .524 CV 1
OR { 316}
(( segid "A " and resid 54 and name H ))
(( segid "B " and resid 65 and name HG12))
OR { 316}
(( segid "A " and resid 54 and name H ))
(( segid "B " and resid 65 and name HG13))
ASSI { 317}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 76 and name HA ))
3.100 1.200 1.200 peak 317 spectrum 1 weight .10000E+01 volume .15872E-02 ppm1 8.523 ppm2 4.660 CV 1
OR { 317}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 76 and name HA ))
ASSI { 318}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HA3 ))
2.900 1.000 1.000 peak 318 spectrum 1 weight .10000E+01 volume .34270E-02 ppm1 8.525 ppm2 4.153 CV 1
OR { 318}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 52 and name HA2 ))
ASSI { 320}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 74 and name HB3 ))
3.000 1.100 1.100 peak 320 spectrum 1 weight .10000E+01 volume .13298E-02 ppm1 8.526 ppm2 3.153 CV 1
OR { 320}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 74 and name HB3 ))
OR { 320}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 321}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 76 and name HB ))
3.800 1.800 1.800 peak 321 spectrum 1 weight .10000E+01 volume .79122E-03 ppm1 8.521 ppm2 2.194 CV 1
OR { 321}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 76 and name HB ))
OR { 321}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 75 and name HG3 ))
ASSI { 322}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 53 and name HB ))
2.400 .700 .700 peak 322 spectrum 1 weight .10000E+01 volume .46472E-02 ppm1 8.521 ppm2 1.839 CV 1
OR { 322}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HB ))
ASSI { 323}
(( segid "A " and resid 53 and name H ))
( segid "A " and resid 53 and name HG1%)
2.900 1.100 1.100 peak 323 spectrum 1 weight .10000E+01 volume .44422E-02 ppm1 8.520 ppm2 .903 CV 1
OR { 323}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HG13))
OR { 323}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HG11))
ASSI { 324}
(( segid "A " and resid 53 and name H ))
( segid "A " and resid 53 and name HG2%)
2.900 1.000 1.000 peak 324 spectrum 1 weight .10000E+01 volume .21973E-02 ppm1 8.515 ppm2 .732 CV 1
OR { 324}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HG22))
OR { 324}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HG21))
ASSI { 326}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 76 and name H ))
3.800 1.800 1.800 peak 326 spectrum 1 weight .10000E+01 volume .69588E-03 ppm1 8.516 ppm2 8.758 CV 1
OR { 326}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 76 and name H ))
ASSI { 327}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HA ))
1.900 .400 .400 peak 327 spectrum 1 weight .10000E+01 volume .14065E-01 ppm1 7.942 ppm2 4.536 CV 1
OR { 327}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 51 and name HA ))
ASSI { 328}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HA3 ))
2.400 .700 .700 peak 328 spectrum 1 weight .10000E+01 volume .48806E-02 ppm1 7.942 ppm2 4.145 CV 1
OR { 328}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 52 and name HA2 ))
ASSI { 329}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 52 and name HA3 ))
2.300 .700 .700 peak 329 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 7.942 ppm2 4.007 CV 1
OR { 329}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HA2 ))
ASSI { 330}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name HB ))
3.700 1.700 1.700 peak 330 spectrum 1 weight .10000E+01 volume .32697E-02 ppm1 7.944 ppm2 1.862 CV 1
OR { 330}
(( segid "B " and resid 52 and name H ))
(( segid "A " and resid 65 and name HB ))
ASSI { 331}
(( segid "A " and resid 52 and name H ))
( segid "A " and resid 51 and name HB% )
2.400 .700 .700 peak 331 spectrum 1 weight .10000E+01 volume .11416E-01 ppm1 7.941 ppm2 1.614 CV 1
OR { 331}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 51 and name HB1 ))
OR { 331}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 51 and name HB3 ))
ASSI { 333}
(( segid "A " and resid 52 and name H ))
( segid "A " and resid 53 and name HG1%)
3.800 1.800 1.800 peak 333 spectrum 1 weight .10000E+01 volume .11534E-02 ppm1 7.944 ppm2 .943 CV 1
OR { 333}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 53 and name HG13))
OR { 333}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 53 and name HG12))
OR { 333}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 53 and name HG11))
ASSI { 335}
(( segid "B " and resid 52 and name H ))
( segid "A " and resid 65 and name HG1%)
2.200 .600 .600 peak 335 spectrum 1 weight .10000E+01 volume .65345E-02 ppm1 7.942 ppm2 .516 CV 1
OR { 335}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name HG11))
OR { 335}
(( segid "A " and resid 52 and name H ))
(( segid "B " and resid 65 and name HG12))
ASSI { 336}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HB2 ))
2.600 .800 .800 peak 336 spectrum 1 weight .10000E+01 volume .55624E-02 ppm1 8.068 ppm2 3.337 CV 1
OR { 336}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 50 and name HB2 ))
ASSI { 337}
(( segid "A " and resid 51 and name H ))
( segid "A " and resid 51 and name HB% )
2.100 .600 .600 peak 337 spectrum 1 weight .10000E+01 volume .12950E-01 ppm1 8.066 ppm2 1.611 CV 1
OR { 337}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 51 and name HB2 ))
OR { 337}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 51 and name HB1 ))
ASSI { 338}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 50 and name HA ))
2.100 .500 .500 peak 338 spectrum 1 weight .10000E+01 volume .96135E-02 ppm1 8.066 ppm2 4.917 CV 1
OR { 338}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HA ))
ASSI { 339}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HA ))
2.400 .700 .700 peak 339 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.065 ppm2 4.539 CV 1
OR { 339}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 51 and name HA ))
ASSI { 340}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HB3 ))
3.300 1.300 1.300 peak 340 spectrum 1 weight .10000E+01 volume .14537E-02 ppm1 7.059 ppm2 3.451 CV 1
OR { 340}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HB3 ))
ASSI { 341}
(( segid "B " and resid 50 and name H ))
( segid "A " and resid 67 and name HG2%)
3.000 1.100 1.100 peak 341 spectrum 1 weight .10000E+01 volume .25262E-02 ppm1 7.057 ppm2 1.129 CV 1
OR { 341}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 67 and name HG22))
OR { 341}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 67 and name HG23))
ASSI { 342}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HG2 ))
2.100 .500 .500 peak 342 spectrum 1 weight .10000E+01 volume .27502E-02 ppm1 7.057 ppm2 .622 CV 1
OR { 342}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HG3 ))
ASSI { 343}
(( segid "B " and resid 50 and name H ))
( segid "A " and resid 46 and name HG2%)
4.300 2.300 1.700 peak 343 spectrum 1 weight .10000E+01 volume .14013E-02 ppm1 7.054 ppm2 .339 CV 1
OR { 343}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG23))
OR { 343}
(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG22))
ASSI { 345}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HA ))
2.300 .700 .700 peak 345 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 7.057 ppm2 4.916 CV 1
OR { 345}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HA ))
ASSI { 346}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HA ))
2.800 1.000 1.000 peak 346 spectrum 1 weight .10000E+01 volume .41467E-02 ppm1 7.055 ppm2 4.421 CV 1
OR { 346}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HA ))
ASSI { 351}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HB2 ))
4.100 2.100 1.900 peak 351 spectrum 1 weight .10000E+01 volume .13393E-02 ppm1 7.051 ppm2 2.068 CV 1
OR { 351}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HB2 ))
ASSI { 352}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HG2 ))
3.500 1.500 1.500 peak 352 spectrum 1 weight .10000E+01 volume .34603E-02 ppm1 7.057 ppm2 1.797 CV 1
OR { 352}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 353}
(( segid "A " and resid 50 and name H ))
( segid "A " and resid 48 and name HB% )
2.600 .800 .800 peak 353 spectrum 1 weight .10000E+01 volume .49667E-02 ppm1 7.056 ppm2 1.593 CV 1
OR { 353}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 48 and name HB1 ))
OR { 353}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 48 and name HB3 ))
ASSI { 357}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 49 and name HD2 ))
3.600 1.600 1.600 peak 357 spectrum 1 weight .10000E+01 volume .22878E-02 ppm1 9.278 ppm2 3.619 CV 1
OR { 357}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 358}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 47 and name HD2 ))
2.600 2.600 3.400 peak 358 spectrum 1 weight .10000E+01 volume .21258E-02 ppm1 9.280 ppm2 3.904 CV 1
OR { 358}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 69 and name HB3 ))
OR { 358}
(( segid "B " and resid 48 and name H ))
(( segid "A " and resid 69 and name HB3 ))
OR { 358}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 47 and name HD3 ))
ASSI { 359}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 47 and name HB3 ))
2.600 .800 .800 peak 359 spectrum 1 weight .10000E+01 volume .49522E-02 ppm1 9.275 ppm2 2.031 CV 1
OR { 359}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 47 and name HB3 ))
ASSI { 360}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 47 and name HB2 ))
2.700 .900 .900 peak 360 spectrum 1 weight .10000E+01 volume .37463E-02 ppm1 9.273 ppm2 1.901 CV 1
OR { 360}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 47 and name HB2 ))
ASSI { 361}
(( segid "A " and resid 48 and name H ))
( segid "A " and resid 48 and name HB% )
2.000 .500 .500 peak 361 spectrum 1 weight .10000E+01 volume .15686E-01 ppm1 9.276 ppm2 1.592 CV 1
OR { 361}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB2 ))
OR { 361}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB3 ))
OR { 361}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB1 ))
ASSI { 362}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 71 and name HD12))
3.100 1.200 1.200 peak 362 spectrum 1 weight .10000E+01 volume .36701E-02 ppm1 9.277 ppm2 .768 CV 1
OR { 362}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 71 and name HD13))
OR { 362}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 65 and name HG22))
OR { 362}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 65 and name HG23))
OR { 362}
(( segid "A " and resid 48 and name H ))
(( segid "B " and resid 65 and name HG21))
ASSI { 363}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HA ))
2.500 .800 .800 peak 363 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 9.278 ppm2 4.251 CV 1
OR { 363}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HA ))
ASSI { 364}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HA ))
2.400 .700 .700 peak 364 spectrum 1 weight .10000E+01 volume .30790E-02 ppm1 8.271 ppm2 4.138 CV 1
OR { 364}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 45 and name HA ))
ASSI { 365}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HB ))
3.400 1.400 1.400 peak 365 spectrum 1 weight .10000E+01 volume .17206E-02 ppm1 8.261 ppm2 1.635 CV 1
OR { 365}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HB ))
ASSI { 366}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 45 and name HG2 ))
3.900 1.900 1.900 peak 366 spectrum 1 weight .10000E+01 volume .11010E-02 ppm1 8.269 ppm2 2.441 CV 1
OR { 366}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HG2 ))
OR { 366}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 45 and name HG3 ))
OR { 366}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HG3 ))
ASSI { 367}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HA ))
2.400 .700 .700 peak 367 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.720 ppm2 4.143 CV 1
OR { 367}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HA ))
ASSI { 372}
(( segid "A " and resid 73 and name H ))
( segid "A " and resid 73 and name HG2%)
3.600 1.600 1.600 peak 372 spectrum 1 weight .10000E+01 volume .17588E-02 ppm1 8.728 ppm2 .891 CV 1
OR { 372}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 73 and name HG21))
OR { 372}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 73 and name HG23))
ASSI { 373}
(( segid "A " and resid 71 and name H ))
(( segid "B " and resid 47 and name HA ))
3.800 1.800 1.800 peak 373 spectrum 1 weight .10000E+01 volume .71019E-03 ppm1 8.650 ppm2 5.103 CV 1
OR { 373}
(( segid "B " and resid 71 and name H ))
(( segid "A " and resid 47 and name HA ))
ASSI { 375}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HA ))
2.400 .700 .700 peak 375 spectrum 1 weight .10000E+01 volume .47662E-02 ppm1 8.754 ppm2 4.656 CV 1
OR { 375}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HA ))
ASSI { 376}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HB2 ))
2.600 .900 .900 peak 376 spectrum 1 weight .10000E+01 volume .36987E-02 ppm1 8.496 ppm2 2.039 CV 1
OR { 376}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HB3 ))
ASSI { 377}
(( segid "A " and resid 71 and name H ))
( segid "A " and resid 71 and name HD1%)
4.200 2.200 1.800 peak 377 spectrum 1 weight .10000E+01 volume .17302E-02 ppm1 8.659 ppm2 .761 CV 1
OR { 377}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HD12))
OR { 377}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HD13))
OR { 377}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HD11))
ASSI { 378}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HG3 ))
2.400 .700 .700 peak 378 spectrum 1 weight .10000E+01 volume .75690E-02 ppm1 8.176 ppm2 1.451 CV 1
OR { 378}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HG3 ))
OR { 378}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HG2 ))
OR { 378}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HG2 ))
ASSI { 379}
(( segid "A " and resid 57 and name H ))
( segid "A " and resid 57 and name HD2%)
3.300 1.400 1.400 peak 379 spectrum 1 weight .10000E+01 volume .19637E-02 ppm1 9.241 ppm2 1.145 CV 1
OR { 379}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HD22))
OR { 379}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HD23))
ASSI { 382}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HG2 ))
2.900 1.000 1.000 peak 382 spectrum 1 weight .10000E+01 volume .20972E-02 ppm1 7.811 ppm2 .915 CV 1
OR { 382}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HG2 ))
ASSI { 2}
(( segid "A " and resid 44 and name H ))
( segid "A " and resid 46 and name HG1%)
3.900 1.900 1.900 peak 2 spectrum 1 weight .10000E+01 volume .83714E-03 ppm1 9.296 ppm2 -.259 CV 1
OR { 2}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 46 and name HG13))
OR { 2}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 46 and name HG12))
ASSI { 3}
(( segid "A " and resid 46 and name H ))
( segid "A " and resid 46 and name HG1%)
2.800 1.000 1.000 peak 3 spectrum 1 weight .10000E+01 volume .28884E-02 ppm1 8.275 ppm2 -.258 CV 1
OR { 3}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HG13))
OR { 3}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HG12))
ASSI { 10}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 74 and name HA ))
2.400 .700 .700 peak 10 spectrum 1 weight .10000E+01 volume .30290E-02 ppm1 9.640 ppm2 5.894 CV 1
OR { 10}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 74 and name HA ))
ASSI { 12}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HA ))
2.900 1.100 1.100 peak 12 spectrum 1 weight .10000E+01 volume .13867E-02 ppm1 9.459 ppm2 5.893 CV 1
OR { 12}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HA ))
ASSI { 13}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 74 and name HA ))
3.400 1.500 1.500 peak 13 spectrum 1 weight .10000E+01 volume .12333E-02 ppm1 8.534 ppm2 5.898 CV 1
OR { 13}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 74 and name HA ))
ASSI { 14}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 74 and name HA ))
3.900 1.900 1.900 peak 14 spectrum 1 weight .10000E+01 volume .86909E-03 ppm1 7.839 ppm2 5.910 CV 1
OR { 14}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 74 and name HA ))
ASSI { 17}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 76 and name HA ))
1.900 .500 .500 peak 17 spectrum 1 weight .10000E+01 volume .16161E-01 ppm1 8.505 ppm2 4.675 CV 1
OR { 17}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HA ))
ASSI { 21}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 75 and name H ))
3.400 1.500 1.500 peak 21 spectrum 1 weight .10000E+01 volume .33997E-02 ppm1 6.955 ppm2 9.642 CV 1
OR { 21}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 75 and name H ))
ASSI { 22}
( segid "A " and resid 74 and name HD% )
( segid "A " and resid 74 and name HE% )
1.600 .300 .600 peak 22 spectrum 1 weight .10000E+01 volume .44060E-01 ppm1 6.955 ppm2 7.398 CV 1
OR { 22}
( segid "B " and resid 74 and name HD% )
( segid "B " and resid 74 and name HE% )
ASSI { 23}
(( segid "B " and resid 50 and name HZ ))
( segid "B " and resid 50 and name HE% )
2.300 .700 .700 peak 23 spectrum 1 weight .10000E+01 volume .51635E-02 ppm1 6.953 ppm2 7.123 CV 1
OR { 23}
(( segid "A " and resid 50 and name HZ ))
( segid "A " and resid 50 and name HE% )
ASSI { 26}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 74 and name HA ))
2.100 .600 .600 peak 26 spectrum 1 weight .10000E+01 volume .78536E-02 ppm1 6.953 ppm2 5.896 CV 1
OR { 26}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 74 and name HA ))
ASSI { 27}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 74 and name HA ))
2.300 2.300 3.700 peak 27 spectrum 1 weight .10000E+01 volume .30737E-02 ppm1 7.396 ppm2 5.896 CV 1
OR { 27}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 74 and name HA ))
ASSI { 28}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 74 and name HB2 ))
2.400 .700 .700 peak 28 spectrum 1 weight .10000E+01 volume .40515E-02 ppm1 6.953 ppm2 3.147 CV 1
OR { 28}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 74 and name HB2 ))
OR { 28}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 74 and name HB3 ))
OR { 28}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 74 and name HB3 ))
OR { 28}
(( segid "B " and resid 50 and name HZ ))
(( segid "B " and resid 74 and name HB2 ))
ASSI { 29}
( segid "A " and resid 74 and name HD% )
(( segid "B " and resid 46 and name HG12))
2.900 1.000 1.000 peak 29 spectrum 1 weight .10000E+01 volume .35658E-02 ppm1 6.952 ppm2 -.259 CV 1
OR { 29}
( segid "A " and resid 74 and name HD% )
(( segid "B " and resid 46 and name HG13))
OR { 29}
(( segid "A " and resid 50 and name HZ ))
(( segid "B " and resid 46 and name HG13))
OR { 29}
(( segid "A " and resid 50 and name HZ ))
(( segid "B " and resid 46 and name HG12))
OR { 29}
(( segid "A " and resid 50 and name HZ ))
(( segid "B " and resid 46 and name HG11))
ASSI { 30}
( segid "B " and resid 50 and name HE% )
( segid "A " and resid 46 and name HG1%)
2.300 .700 .700 peak 30 spectrum 1 weight .10000E+01 volume .53552E-02 ppm1 7.119 ppm2 -.260 CV 1
OR { 30}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 46 and name HG13))
OR { 30}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 46 and name HG12))
OR { 30}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 46 and name HG11))
ASSI { 31}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 74 and name HB2 ))
3.600 1.600 1.600 peak 31 spectrum 1 weight .10000E+01 volume .16934E-02 ppm1 7.394 ppm2 3.149 CV 1
OR { 31}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 74 and name HB2 ))
OR { 31}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 74 and name HB3 ))
ASSI { 32}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 74 and name HZ ))
2.300 .600 .600 peak 32 spectrum 1 weight .10000E+01 volume .67225E-02 ppm1 7.394 ppm2 6.893 CV 1
OR { 32}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 74 and name HZ ))
ASSI { 33}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 50 and name H ))
3.100 1.200 1.200 peak 33 spectrum 1 weight .10000E+01 volume .23517E-02 ppm1 7.393 ppm2 7.060 CV 1
OR { 33}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 50 and name H ))
ASSI { 42}
( segid "A " and resid 50 and name HE% )
(( segid "A " and resid 50 and name HA ))
3.200 3.200 2.800 peak 42 spectrum 1 weight .10000E+01 volume .65116E-02 ppm1 7.121 ppm2 4.935 CV 1
OR { 42}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 50 and name HA ))
ASSI { 49}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 63 and name HA ))
2.400 .700 .700 peak 49 spectrum 1 weight .10000E+01 volume .58598E-02 ppm1 8.041 ppm2 4.604 CV 1
OR { 49}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HA ))
ASSI { 50}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HA ))
2.000 .500 .500 peak 50 spectrum 1 weight .10000E+01 volume .22686E-01 ppm1 8.512 ppm2 4.585 CV 1
OR { 50}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HA ))
ASSI { 52}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HA ))
2.200 .600 .600 peak 52 spectrum 1 weight .10000E+01 volume .91447E-02 ppm1 9.250 ppm2 4.547 CV 1
OR { 52}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HA ))
ASSI { 55}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HA3 ))
2.900 1.000 1.000 peak 55 spectrum 1 weight .10000E+01 volume .33869E-02 ppm1 8.039 ppm2 4.486 CV 1
OR { 55}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HA3 ))
ASSI { 57}
( segid "A " and resid 50 and name HE% )
(( segid "A " and resid 49 and name HA ))
2.100 2.100 3.900 peak 57 spectrum 1 weight .10000E+01 volume .42367E-02 ppm1 7.122 ppm2 4.432 CV 1
OR { 57}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 49 and name HA ))
ASSI { 58}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HA ))
3.000 1.100 1.100 peak 58 spectrum 1 weight .10000E+01 volume .52146E-02 ppm1 7.060 ppm2 4.435 CV 1
OR { 58}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HA ))
OR { 58}
( segid "A " and resid 50 and name HD% )
(( segid "A " and resid 49 and name HA ))
OR { 58}
( segid "B " and resid 50 and name HD% )
(( segid "B " and resid 49 and name HA ))
ASSI { 59}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 69 and name HA ))
2.100 .500 .500 peak 59 spectrum 1 weight .10000E+01 volume .13413E-01 ppm1 8.669 ppm2 4.347 CV 1
OR { 59}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name HA ))
ASSI { 60}
(( segid "A " and resid 74 and name HZ ))
(( segid "A " and resid 48 and name HA ))
3.200 1.300 1.300 peak 60 spectrum 1 weight .10000E+01 volume .20833E-02 ppm1 6.900 ppm2 4.292 CV 1
OR { 60}
(( segid "B " and resid 74 and name HZ ))
(( segid "B " and resid 48 and name HA ))
ASSI { 61}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name HA ))
2.200 .600 .600 peak 61 spectrum 1 weight .10000E+01 volume .47546E-02 ppm1 8.670 ppm2 4.221 CV 1
OR { 61}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 70 and name HA ))
ASSI { 63}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 52 and name HA3 ))
3.700 1.700 1.700 peak 63 spectrum 1 weight .10000E+01 volume .20002E-02 ppm1 6.950 ppm2 4.160 CV 1
OR { 63}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 52 and name HA2 ))
ASSI { 65}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 52 and name HA3 ))
3.700 1.700 1.700 peak 65 spectrum 1 weight .10000E+01 volume .19874E-02 ppm1 6.951 ppm2 4.018 CV 1
OR { 65}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 52 and name HA2 ))
ASSI { 66}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 52 and name HA3 ))
2.200 .600 .600 peak 66 spectrum 1 weight .10000E+01 volume .92213E-02 ppm1 8.530 ppm2 3.989 CV 1
OR { 66}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HA2 ))
ASSI { 69}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 54 and name HA ))
2.800 1.000 1.000 peak 69 spectrum 1 weight .10000E+01 volume .31696E-02 ppm1 7.396 ppm2 3.675 CV 1
OR { 69}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 54 and name HA ))
ASSI { 70}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 54 and name HA ))
2.200 .600 .600 peak 70 spectrum 1 weight .10000E+01 volume .60262E-02 ppm1 6.954 ppm2 3.677 CV 1
OR { 70}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 54 and name HA ))
ASSI { 71}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 54 and name HA ))
2.800 1.000 1.000 peak 71 spectrum 1 weight .10000E+01 volume .23325E-02 ppm1 5.890 ppm2 3.673 CV 1
OR { 71}
(( segid "B " and resid 74 and name HA ))
(( segid "B " and resid 54 and name HA ))
ASSI { 72}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HD2 ))
2.600 .800 .800 peak 72 spectrum 1 weight .10000E+01 volume .26584E-02 ppm1 7.058 ppm2 3.606 CV 1
OR { 72}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 73}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 50 and name HB3 ))
2.800 2.800 3.200 peak 73 spectrum 1 weight .10000E+01 volume .95470E-02 ppm1 7.121 ppm2 3.461 CV 1
OR { 73}
( segid "A " and resid 50 and name HE% )
(( segid "A " and resid 50 and name HB3 ))
ASSI { 74}
( segid "A " and resid 50 and name HE% )
(( segid "A " and resid 50 and name HB2 ))
2.900 1.100 1.100 peak 74 spectrum 1 weight .10000E+01 volume .82883E-02 ppm1 7.122 ppm2 3.344 CV 1
OR { 74}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 50 and name HB2 ))
ASSI { 75}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 68 and name HA2 ))
2.800 1.000 1.000 peak 75 spectrum 1 weight .10000E+01 volume .49397E-02 ppm1 9.078 ppm2 3.294 CV 1
OR { 75}
(( segid "B " and resid 68 and name H ))
(( segid "B " and resid 68 and name HA3 ))
ASSI { 76}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name HA3 ))
3.200 1.200 1.200 peak 76 spectrum 1 weight .10000E+01 volume .19363E-02 ppm1 8.214 ppm2 3.292 CV 1
OR { 76}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 68 and name HA2 ))
ASSI { 79}
( segid "B " and resid 50 and name HD% )
(( segid "B " and resid 74 and name HB2 ))
3.100 1.200 1.200 peak 79 spectrum 1 weight .10000E+01 volume .30993E-02 ppm1 7.049 ppm2 3.157 CV 1
OR { 79}
( segid "A " and resid 50 and name HD% )
(( segid "A " and resid 74 and name HB3 ))
OR { 79}
( segid "B " and resid 50 and name HD% )
(( segid "B " and resid 74 and name HB3 ))
ASSI { 80}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 74 and name HB2 ))
2.800 1.000 1.000 peak 80 spectrum 1 weight .10000E+01 volume .17893E-02 ppm1 7.111 ppm2 3.146 CV 1
OR { 80}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 74 and name HB3 ))
OR { 80}
( segid "A " and resid 50 and name HE% )
(( segid "A " and resid 74 and name HB3 ))
ASSI { 81}
(( segid "B " and resid 74 and name HA ))
(( segid "B " and resid 74 and name HB3 ))
2.700 .900 .900 peak 81 spectrum 1 weight .10000E+01 volume .21088E-02 ppm1 5.890 ppm2 3.153 CV 1
OR { 81}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
OR { 81}
(( segid "B " and resid 74 and name HA ))
(( segid "B " and resid 74 and name HB2 ))
OR { 81}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 82}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HD2 ))
3.600 1.600 1.600 peak 82 spectrum 1 weight .10000E+01 volume .27542E-02 ppm1 7.058 ppm2 3.042 CV 1
OR { 82}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HD3 ))
ASSI { 83}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB2 ))
3.500 1.600 1.600 peak 83 spectrum 1 weight .10000E+01 volume .28309E-02 ppm1 8.976 ppm2 2.787 CV 1
OR { 83}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HB3 ))
ASSI { 84}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HB3 ))
2.400 .700 .700 peak 84 spectrum 1 weight .10000E+01 volume .58215E-02 ppm1 8.721 ppm2 2.786 CV 1
OR { 84}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HB2 ))
ASSI { 85}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 60 and name HB3 ))
2.900 1.100 1.100 peak 85 spectrum 1 weight .10000E+01 volume .31696E-02 ppm1 7.980 ppm2 2.782 CV 1
OR { 85}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name HB2 ))
ASSI { 86}
(( segid "A " and resid 60 and name HD21))
(( segid "A " and resid 60 and name HB2 ))
3.200 1.300 1.300 peak 86 spectrum 1 weight .10000E+01 volume .19235E-02 ppm1 6.977 ppm2 2.783 CV 1
OR { 86}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name HB3 ))
ASSI { 87}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HB2 ))
2.400 .700 .700 peak 87 spectrum 1 weight .10000E+01 volume .49334E-02 ppm1 8.975 ppm2 2.579 CV 1
OR { 87}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 88}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HB3 ))
3.300 1.400 1.400 peak 88 spectrum 1 weight .10000E+01 volume .41664E-02 ppm1 8.723 ppm2 2.586 CV 1
OR { 88}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 89}
(( segid "B " and resid 60 and name HD21))
(( segid "B " and resid 60 and name HB2 ))
2.600 .900 .900 peak 89 spectrum 1 weight .10000E+01 volume .73935E-02 ppm1 7.981 ppm2 2.583 CV 1
OR { 89}
(( segid "A " and resid 60 and name HD22))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 90}
(( segid "A " and resid 60 and name HD21))
(( segid "A " and resid 60 and name HB3 ))
2.800 1.000 1.000 peak 90 spectrum 1 weight .10000E+01 volume .47862E-02 ppm1 6.975 ppm2 2.585 CV 1
OR { 90}
(( segid "B " and resid 60 and name HD22))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 92}
( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 44 and name HG3 ))
2.700 2.700 3.300 peak 92 spectrum 1 weight .10000E+01 volume .61668E-02 ppm1 7.055 ppm2 2.325 CV 1
OR { 92}
( segid "B " and resid 50 and name HD% )
(( segid "A " and resid 44 and name HG3 ))
OR { 92}
( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 44 and name HG2 ))
OR { 92}
( segid "B " and resid 50 and name HD% )
(( segid "A " and resid 44 and name HG2 ))
ASSI { 93}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HB ))
2.600 .800 .800 peak 93 spectrum 1 weight .10000E+01 volume .47225E-02 ppm1 8.760 ppm2 2.220 CV 1
OR { 93}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HB ))
ASSI { 94}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 72 and name HB2 ))
2.500 .800 .800 peak 94 spectrum 1 weight .10000E+01 volume .51314E-02 ppm1 7.396 ppm2 1.952 CV 1
OR { 94}
( segid "A " and resid 74 and name HE% )
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ASSI { 95}
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OR { 95}
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(( segid "B " and resid 72 and name HB3 ))
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(( segid "A " and resid 72 and name HB2 ))
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(( segid "A " and resid 74 and name HZ ))
(( segid "A " and resid 72 and name HB3 ))
ASSI { 97}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 65 and name HB ))
2.800 1.000 1.000 peak 97 spectrum 1 weight .10000E+01 volume .18916E-02 ppm1 7.395 ppm2 1.875 CV 1
OR { 97}
( segid "B " and resid 74 and name HE% )
(( segid "A " and resid 65 and name HB ))
ASSI { 98}
( segid "B " and resid 74 and name HE% )
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2.700 .900 .900 peak 98 spectrum 1 weight .10000E+01 volume .18916E-02 ppm1 7.394 ppm2 1.784 CV 1
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( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 49 and name HG2 ))
ASSI { 102}
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( segid "A " and resid 48 and name HB% )
2.300 .600 .600 peak 102 spectrum 1 weight .10000E+01 volume .78985E-02 ppm1 9.284 ppm2 1.600 CV 1
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(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB2 ))
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(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB3 ))
ASSI { 103}
( segid "A " and resid 74 and name HE% )
( segid "A " and resid 48 and name HB% )
2.500 .800 .800 peak 103 spectrum 1 weight .10000E+01 volume .66589E-02 ppm1 7.396 ppm2 1.600 CV 1
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( segid "B " and resid 74 and name HE% )
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ASSI { 104}
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( segid "A " and resid 48 and name HB% )
2.500 .800 .800 peak 104 spectrum 1 weight .10000E+01 volume .59621E-02 ppm1 6.900 ppm2 1.598 CV 1
OR { 104}
(( segid "B " and resid 74 and name HZ ))
(( segid "B " and resid 48 and name HB3 ))
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(( segid "B " and resid 74 and name HZ ))
(( segid "B " and resid 48 and name HB1 ))
ASSI { 109}
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2.500 .800 .800 peak 109 spectrum 1 weight .10000E+01 volume .71893E-02 ppm1 7.050 ppm2 1.061 CV 1
OR { 109}
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OR { 109}
( segid "B " and resid 50 and name HD% )
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ASSI { 112}
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( segid "A " and resid 54 and name HG1%)
1.900 1.900 4.100 peak 112 spectrum 1 weight .10000E+01 volume .79114E-02 ppm1 7.396 ppm2 .916 CV 1
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ASSI { 114}
( segid "A " and resid 74 and name HE% )
( segid "A " and resid 54 and name HG2%)
2.400 .700 .700 peak 114 spectrum 1 weight .10000E+01 volume .42113E-02 ppm1 7.390 ppm2 .858 CV 1
OR { 114}
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(( segid "B " and resid 54 and name HG22))
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( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 54 and name HG21))
ASSI { 115}
( segid "A " and resid 50 and name HE% )
( segid "A " and resid 76 and name HG1%)
2.400 .700 .700 peak 115 spectrum 1 weight .10000E+01 volume .49143E-02 ppm1 7.120 ppm2 .843 CV 1
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(( segid "B " and resid 76 and name HG12))
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( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 76 and name HG13))
ASSI { 116}
( segid "A " and resid 50 and name HD% )
( segid "A " and resid 76 and name HG1%)
2.600 .900 .900 peak 116 spectrum 1 weight .10000E+01 volume .53103E-02 ppm1 7.051 ppm2 .843 CV 1
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(( segid "B " and resid 76 and name HG11))
OR { 116}
( segid "B " and resid 50 and name HD% )
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ASSI { 121}
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3.100 1.200 1.200 peak 121 spectrum 1 weight .10000E+01 volume .26392E-02 ppm1 7.121 ppm2 .638 CV 1
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( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 49 and name HG3 ))
ASSI { 122}
( segid "A " and resid 50 and name HD% )
(( segid "A " and resid 49 and name HG3 ))
3.400 1.400 1.400 peak 122 spectrum 1 weight .10000E+01 volume .32782E-02 ppm1 7.056 ppm2 .635 CV 1
OR { 122}
( segid "B " and resid 50 and name HD% )
(( segid "B " and resid 49 and name HG3 ))
OR { 122}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HG3 ))
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(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HG3 ))
ASSI { 127}
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( segid "A " and resid 46 and name HG2%)
2.800 1.000 1.000 peak 127 spectrum 1 weight .10000E+01 volume .17765E-02 ppm1 8.269 ppm2 .351 CV 1
OR { 127}
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(( segid "B " and resid 46 and name HG22))
OR { 127}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HG21))
ASSI { 128}
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( segid "A " and resid 46 and name HG2%)
3.500 1.500 1.500 peak 128 spectrum 1 weight .10000E+01 volume .48823E-02 ppm1 7.057 ppm2 .349 CV 1
OR { 128}
(( segid "B " and resid 50 and name H ))
( segid "A " and resid 46 and name HG2%)
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( segid "A " and resid 50 and name HD% )
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( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 46 and name HG22))
OR { 128}
( segid "A " and resid 50 and name HD% )
(( segid "B " and resid 46 and name HG21))
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(( segid "A " and resid 50 and name H ))
(( segid "B " and resid 46 and name HG23))
ASSI { 131}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 51 and name H ))
3.200 1.300 1.300 peak 131 spectrum 1 weight .10000E+01 volume .25753E-02 ppm1 7.051 ppm2 8.074 CV 1
OR { 131}
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(( segid "B " and resid 51 and name H ))
ASSI { 138}
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(( segid "B " and resid 73 and name H ))
2.800 1.000 1.000 peak 138 spectrum 1 weight .10000E+01 volume .23069E-02 ppm1 7.838 ppm2 8.749 CV 1
OR { 138}
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(( segid "A " and resid 73 and name H ))
ASSI { 140}
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(( segid "A " and resid 64 and name H ))
3.400 1.400 1.400 peak 140 spectrum 1 weight .10000E+01 volume .22686E-02 ppm1 8.042 ppm2 8.588 CV 1
OR { 140}
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(( segid "B " and resid 64 and name H ))
ASSI { 141}
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(( segid "B " and resid 78 and name H ))
2.800 1.000 1.000 peak 141 spectrum 1 weight .10000E+01 volume .42433E-02 ppm1 8.177 ppm2 8.466 CV 1
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(( segid "A " and resid 78 and name H ))
ASSI { 143}
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(( segid "A " and resid 44 and name H ))
3.300 1.400 1.400 peak 143 spectrum 1 weight .10000E+01 volume .25242E-02 ppm1 8.734 ppm2 9.298 CV 1
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(( segid "B " and resid 44 and name H ))
ASSI { 151}
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(( segid "A " and resid 74 and name HB3 ))
3.200 1.300 1.300 peak 151 spectrum 1 weight .10000E+01 volume .16615E-02 ppm1 9.640 ppm2 3.144 CV 1
OR { 151}
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(( segid "B " and resid 74 and name HB3 ))
OR { 151}
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(( segid "B " and resid 74 and name HB2 ))
OR { 151}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 159}
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(( segid "A " and resid 75 and name H ))
2.900 1.000 1.000 peak 159 spectrum 1 weight .10000E+01 volume .14698E-02 ppm1 8.534 ppm2 9.646 CV 1
OR { 159}
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(( segid "B " and resid 75 and name H ))
ASSI { 161}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 75 and name H ))
2.700 2.700 3.300 peak 161 spectrum 1 weight .10000E+01 volume .10097E-02 ppm1 7.383 ppm2 9.639 CV 1
OR { 161}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 75 and name H ))
ASSI { 163}
( segid "A " and resid 50 and name HD% )
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3.900 1.900 1.900 peak 163 spectrum 1 weight .10000E+01 volume .11758E-02 ppm1 7.049 ppm2 9.300 CV 1
OR { 163}
( segid "B " and resid 50 and name HD% )
(( segid "A " and resid 44 and name H ))
ASSI { 171}
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(( segid "A " and resid 43 and name HA ))
4.000 2.000 2.000 peak 171 spectrum 1 weight .10000E+01 volume .99688E-03 ppm1 8.513 ppm2 5.290 CV 1
OR { 171}
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(( segid "B " and resid 43 and name HA ))
ASSI { 172}
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(( segid "B " and resid 60 and name HA ))
3.000 1.100 1.100 peak 172 spectrum 1 weight .10000E+01 volume .14059E-02 ppm1 7.983 ppm2 5.007 CV 1
OR { 172}
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(( segid "A " and resid 60 and name HA ))
ASSI { 178}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 73 and name HA ))
3.200 1.300 1.300 peak 178 spectrum 1 weight .10000E+01 volume .90744E-03 ppm1 7.393 ppm2 4.859 CV 1
OR { 178}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 73 and name HA ))
ASSI { 180}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 48 and name HA ))
3.800 1.800 1.800 peak 180 spectrum 1 weight .10000E+01 volume .13931E-02 ppm1 7.395 ppm2 4.293 CV 1
OR { 180}
( segid "B " and resid 74 and name HE% )
(( segid "B " and resid 48 and name HA ))
ASSI { 183}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 49 and name HD2 ))
3.900 1.900 1.900 peak 183 spectrum 1 weight .10000E+01 volume .10800E-02 ppm1 7.397 ppm2 3.046 CV 1
OR { 183}
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(( segid "B " and resid 49 and name HD3 ))
ASSI { 191}
( segid "A " and resid 74 and name HD% )
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3.500 1.600 1.600 peak 191 spectrum 1 weight .10000E+01 volume .12717E-02 ppm1 6.950 ppm2 .362 CV 1
OR { 191}
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OR { 191}
( segid "A " and resid 74 and name HD% )
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OR { 191}
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OR { 191}
(( segid "A " and resid 50 and name HZ ))
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ASSI { 198}
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( segid "B " and resid 74 and name HD% )
2.800 1.000 1.000 peak 198 spectrum 1 weight .10000E+01 volume .32399E-02 ppm1 -.261 ppm2 6.958 CV 1
OR { 198}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 50 and name HZ ))
ASSI { 200}
( segid "A " and resid 46 and name HG1%)
(( segid "A " and resid 46 and name HA ))
2.300 .700 .700 peak 200 spectrum 1 weight .10000E+01 volume .53486E-02 ppm1 -.260 ppm2 4.348 CV 1
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(( segid "B " and resid 46 and name HA ))
OR { 200}
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(( segid "B " and resid 46 and name HA ))
ASSI { 201}
( segid "A " and resid 46 and name HG1%)
(( segid "A " and resid 45 and name HA ))
3.100 1.200 1.200 peak 201 spectrum 1 weight .10000E+01 volume .15656E-02 ppm1 -.263 ppm2 4.153 CV 1
OR { 201}
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(( segid "B " and resid 45 and name HA ))
OR { 201}
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(( segid "B " and resid 45 and name HA ))
ASSI { 203}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 72 and name HB2 ))
3.100 3.100 2.900 peak 203 spectrum 1 weight .10000E+01 volume .43839E-02 ppm1 -.261 ppm2 1.950 CV 1
OR { 203}
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(( segid "B " and resid 72 and name HB3 ))
OR { 203}
( segid "A " and resid 46 and name HG1%)
(( segid "B " and resid 71 and name HB ))
ASSI { 204}
( segid "A " and resid 46 and name HG1%)
(( segid "A " and resid 46 and name HB ))
2.200 .600 .600 peak 204 spectrum 1 weight .10000E+01 volume .61793E-02 ppm1 -.261 ppm2 1.634 CV 1
OR { 204}
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(( segid "B " and resid 46 and name HB ))
OR { 204}
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(( segid "B " and resid 46 and name HB ))
ASSI { 205}
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( segid "A " and resid 71 and name HD1%)
3.100 1.200 1.200 peak 205 spectrum 1 weight .10000E+01 volume .45437E-02 ppm1 -.262 ppm2 .761 CV 1
OR { 205}
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( segid "A " and resid 71 and name HD1%)
OR { 205}
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( segid "A " and resid 71 and name HD1%)
OR { 205}
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(( segid "B " and resid 71 and name HD13))
ASSI { 206}
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( segid "A " and resid 46 and name HG2%)
2.000 .500 .500 peak 206 spectrum 1 weight .10000E+01 volume .18066E-01 ppm1 -.261 ppm2 .350 CV 1
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(( segid "B " and resid 46 and name HG22))
OR { 206}
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(( segid "B " and resid 46 and name HG23))
OR { 206}
(( segid "B " and resid 46 and name HG11))
(( segid "B " and resid 46 and name HG23))
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(( segid "B " and resid 46 and name HG12))
(( segid "B " and resid 46 and name HG21))
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(( segid "B " and resid 46 and name HG13))
(( segid "B " and resid 46 and name HG22))
OR { 206}
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(( segid "B " and resid 46 and name HG21))
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(( segid "B " and resid 46 and name HG22))
ASSI { 208}
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( segid "A " and resid 65 and name HG1%)
2.000 .500 .500 peak 208 spectrum 1 weight .10000E+01 volume .19989E-01 ppm1 .779 ppm2 .532 CV 1
OR { 208}
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(( segid "B " and resid 65 and name HG13))
OR { 208}
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(( segid "B " and resid 65 and name HG11))
OR { 208}
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(( segid "B " and resid 65 and name HG13))
OR { 208}
(( segid "B " and resid 65 and name HG22))
(( segid "B " and resid 65 and name HG11))
OR { 208}
(( segid "B " and resid 65 and name HG22))
(( segid "B " and resid 65 and name HG13))
OR { 208}
(( segid "B " and resid 65 and name HG21))
(( segid "B " and resid 65 and name HG11))
OR { 208}
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(( segid "B " and resid 65 and name HG12))
ASSI { 209}
( segid "A " and resid 46 and name HG2%)
(( segid "A " and resid 46 and name HA ))
2.800 .900 .900 peak 209 spectrum 1 weight .10000E+01 volume .54700E-02 ppm1 .346 ppm2 4.348 CV 1
OR { 209}
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(( segid "B " and resid 46 and name HA ))
OR { 209}
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(( segid "B " and resid 46 and name HA ))
ASSI { 210}
( segid "A " and resid 46 and name HG2%)
(( segid "A " and resid 47 and name HD2 ))
3.700 1.700 1.700 peak 210 spectrum 1 weight .10000E+01 volume .20002E-02 ppm1 .346 ppm2 3.907 CV 1
OR { 210}
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(( segid "A " and resid 47 and name HD3 ))
OR { 210}
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OR { 210}
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(( segid "B " and resid 47 and name HD3 ))
OR { 210}
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(( segid "B " and resid 47 and name HD3 ))
OR { 210}
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(( segid "B " and resid 47 and name HD3 ))
ASSI { 213}
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2.900 1.100 1.100 peak 213 spectrum 1 weight .10000E+01 volume .50994E-02 ppm1 .346 ppm2 1.950 CV 1
OR { 213}
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(( segid "B " and resid 72 and name HB3 ))
OR { 213}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 71 and name HB ))
ASSI { 214}
( segid "A " and resid 46 and name HG2%)
(( segid "A " and resid 46 and name HB ))
2.300 .600 .600 peak 214 spectrum 1 weight .10000E+01 volume .58282E-02 ppm1 .347 ppm2 1.632 CV 1
OR { 214}
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(( segid "B " and resid 46 and name HB ))
OR { 214}
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(( segid "B " and resid 46 and name HB ))
ASSI { 215}
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2.200 .600 .600 peak 215 spectrum 1 weight .10000E+01 volume .13605E-01 ppm1 .347 ppm2 .759 CV 1
OR { 215}
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( segid "A " and resid 71 and name HD1%)
OR { 215}
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( segid "A " and resid 71 and name HD1%)
OR { 215}
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(( segid "B " and resid 71 and name HD11))
OR { 215}
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(( segid "B " and resid 71 and name HD13))
ASSI { 221}
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( segid "A " and resid 65 and name HG1%)
2.100 .600 .600 peak 221 spectrum 1 weight .10000E+01 volume .82371E-02 ppm1 1.869 ppm2 .532 CV 1
OR { 221}
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(( segid "B " and resid 65 and name HG12))
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(( segid "B " and resid 65 and name HG13))
ASSI { 222}
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(( segid "A " and resid 53 and name H ))
4.300 2.300 1.700 peak 222 spectrum 1 weight .10000E+01 volume .89463E-03 ppm1 7.116 ppm2 8.511 CV 1
OR { 222}
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(( segid "B " and resid 53 and name H ))
ASSI { 223}
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(( segid "B " and resid 73 and name H ))
2.900 2.900 3.100 peak 223 spectrum 1 weight .10000E+01 volume .72213E-03 ppm1 7.390 ppm2 8.742 CV 1
OR { 223}
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(( segid "A " and resid 73 and name H ))
ASSI { 225}
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(( segid "B " and resid 60 and name H ))
3.000 3.000 3.000 peak 225 spectrum 1 weight .10000E+01 volume .17318E-02 ppm1 8.042 ppm2 8.977 CV 1
OR { 225}
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(( segid "A " and resid 60 and name H ))
ASSI { 226}
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(( segid "B " and resid 60 and name H ))
3.300 1.300 1.300 peak 226 spectrum 1 weight .10000E+01 volume .16551E-02 ppm1 7.974 ppm2 8.971 CV 1
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(( segid "A " and resid 60 and name H ))
ASSI { 228}
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(( segid "A " and resid 57 and name H ))
3.400 1.400 1.400 peak 228 spectrum 1 weight .10000E+01 volume .15848E-02 ppm1 7.839 ppm2 9.251 CV 1
OR { 228}
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(( segid "B " and resid 57 and name H ))
ASSI { 229}
( segid "A " and resid 74 and name HE% )
(( segid "B " and resid 62 and name H ))
2.800 2.800 3.200 peak 229 spectrum 1 weight .10000E+01 volume .77325E-03 ppm1 7.395 ppm2 9.285 CV 1
OR { 229}
( segid "B " and resid 74 and name HE% )
(( segid "A " and resid 62 and name H ))
ASSI { 233}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 44 and name HG3 ))
2.800 1.000 1.000 peak 233 spectrum 1 weight .10000E+01 volume .37895E-02 ppm1 7.118 ppm2 2.326 CV 1
OR { 233}
( segid "B " and resid 50 and name HE% )
(( segid "A " and resid 44 and name HG3 ))
OR { 233}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 44 and name HG2 ))
OR { 233}
( segid "B " and resid 50 and name HE% )
(( segid "A " and resid 44 and name HG2 ))
ASSI { 234}
( segid "A " and resid 50 and name HE% )
(( segid "A " and resid 49 and name HD2 ))
4.300 2.300 1.700 peak 234 spectrum 1 weight .10000E+01 volume .14953E-02 ppm1 7.125 ppm2 3.039 CV 1
OR { 234}
( segid "B " and resid 50 and name HE% )
(( segid "B " and resid 49 and name HD3 ))
ASSI { 235}
( segid "B " and resid 50 and name HD% )
(( segid "B " and resid 51 and name HA ))
3.400 1.500 1.500 peak 235 spectrum 1 weight .10000E+01 volume .97134E-03 ppm1 7.054 ppm2 4.540 CV 1
OR { 235}
( segid "A " and resid 50 and name HD% )
(( segid "A " and resid 51 and name HA ))
ASSI { 236}
( segid "B " and resid 50 and name HD% )
(( segid "B " and resid 76 and name HA ))
3.900 1.900 1.900 peak 236 spectrum 1 weight .10000E+01 volume .12397E-02 ppm1 7.044 ppm2 4.678 CV 1
OR { 236}
( segid "A " and resid 50 and name HD% )
(( segid "A " and resid 76 and name HA ))
ASSI { 237}
(( segid "B " and resid 54 and name HA ))
( segid "A " and resid 65 and name HG1%)
3.700 1.700 1.700 peak 237 spectrum 1 weight .10000E+01 volume .97774E-03 ppm1 3.663 ppm2 .535 CV 1
OR { 237}
(( segid "A " and resid 54 and name HA ))
(( segid "B " and resid 65 and name HG12))
OR { 237}
(( segid "A " and resid 54 and name HA ))
(( segid "B " and resid 65 and name HG13))
ASSI { 238}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HG3 ))
3.100 1.200 1.200 peak 238 spectrum 1 weight .10000E+01 volume .11119E-02 ppm1 3.598 ppm2 .625 CV 1
OR { 238}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name HG3 ))
ASSI { 239}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HG3 ))
2.600 .800 .800 peak 239 spectrum 1 weight .10000E+01 volume .12844E-02 ppm1 3.044 ppm2 .631 CV 1
OR { 239}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 241}
( segid "A " and resid 46 and name HG1%)
(( segid "A " and resid 47 and name HD3 ))
4.200 2.200 1.800 peak 241 spectrum 1 weight .10000E+01 volume .92662E-03 ppm1 -.266 ppm2 3.903 CV 1
OR { 241}
( segid "A " and resid 46 and name HG1%)
(( segid "A " and resid 47 and name HD2 ))
OR { 241}
(( segid "B " and resid 46 and name HG13))
(( segid "B " and resid 47 and name HD3 ))
OR { 241}
(( segid "B " and resid 46 and name HG11))
(( segid "B " and resid 47 and name HD3 ))
OR { 241}
(( segid "B " and resid 46 and name HG13))
(( segid "B " and resid 47 and name HD2 ))
OR { 241}
(( segid "B " and resid 46 and name HG12))
(( segid "B " and resid 47 and name HD3 ))
ASSI { 244}
( segid "A " and resid 46 and name HG2%)
( segid "B " and resid 74 and name HD% )
3.500 1.500 1.500 peak 244 spectrum 1 weight .10000E+01 volume .13036E-02 ppm1 .345 ppm2 6.954 CV 1
OR { 244}
( segid "A " and resid 46 and name HG2%)
(( segid "B " and resid 50 and name HZ ))
ASSI { 247}
(( segid "B " and resid 49 and name HG2 ))
(( segid "B " and resid 49 and name HD2 ))
2.400 .700 .700 peak 247 spectrum 1 weight .10000E+01 volume .18277E-02 ppm1 1.787 ppm2 3.600 CV 1
OR { 247}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 248}
(( segid "A " and resid 63 and name HB2 ))
(( segid "A " and resid 63 and name HB3 ))
2.400 2.400 3.600 peak 248 spectrum 1 weight .10000E+01 volume .25178E-02 ppm1 2.527 ppm2 2.859 CV 1
OR { 248}
(( segid "B " and resid 63 and name HB3 ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 251}
(( segid "A " and resid 59 and name HB ))
( segid "A " and resid 59 and name HG1%)
2.000 .500 .500 peak 251 spectrum 1 weight .10000E+01 volume .14187E-01 ppm1 2.325 ppm2 1.056 CV 1
OR { 251}
(( segid "B " and resid 59 and name HB ))
(( segid "B " and resid 59 and name HG12))
OR { 251}
(( segid "B " and resid 59 and name HB ))
(( segid "B " and resid 59 and name HG11))
ASSI { 252}
(( segid "B " and resid 45 and name HG2 ))
(( segid "B " and resid 45 and name HA ))
3.500 1.500 1.500 peak 252 spectrum 1 weight .10000E+01 volume .14250E-02 ppm1 2.461 ppm2 4.160 CV 1
OR { 252}
(( segid "A " and resid 45 and name HG2 ))
(( segid "A " and resid 45 and name HA ))
OR { 252}
(( segid "A " and resid 45 and name HG3 ))
(( segid "A " and resid 45 and name HA ))
OR { 252}
(( segid "B " and resid 45 and name HG3 ))
(( segid "B " and resid 45 and name HA ))
ASSI { 253}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HD2 ))
2.400 2.400 3.600 peak 253 spectrum 1 weight .10000E+01 volume .12014E-02 ppm1 3.053 ppm2 3.604 CV 1
OR { 253}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 257}
( segid "B " and resid 50 and name HE% )
( segid "A " and resid 46 and name HG2%)
3.600 1.700 1.700 peak 257 spectrum 1 weight .10000E+01 volume .25370E-02 ppm1 7.114 ppm2 .353 CV 1
OR { 257}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 46 and name HG23))
OR { 257}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 46 and name HG22))
OR { 257}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 46 and name HG21))
ASSI { 258}
(( segid "A " and resid 53 and name H ))
( segid "A " and resid 74 and name HD% )
3.300 1.400 1.400 peak 258 spectrum 1 weight .10000E+01 volume .18532E-02 ppm1 8.526 ppm2 6.959 CV 1
OR { 258}
(( segid "B " and resid 53 and name H ))
( segid "B " and resid 74 and name HD% )
ASSI { 263}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HD3 ))
3.600 1.600 1.600 peak 263 spectrum 1 weight .10000E+01 volume .19299E-02 ppm1 1.871 ppm2 3.600 CV 1
OR { 263}
(( segid "B " and resid 49 and name HB2 ))
(( segid "B " and resid 49 and name HD2 ))
ASSI { 264}
( segid "B " and resid 50 and name HE% )
( segid "A " and resid 65 and name HG1%)
3.900 1.900 1.900 peak 264 spectrum 1 weight .10000E+01 volume .87550E-03 ppm1 7.125 ppm2 .543 CV 1
OR { 264}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 65 and name HG13))
OR { 264}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 65 and name HG12))
ASSI { 265}
( segid "B " and resid 50 and name HE% )
( segid "A " and resid 65 and name HG2%)
3.700 1.700 1.700 peak 265 spectrum 1 weight .10000E+01 volume .14953E-02 ppm1 7.119 ppm2 .770 CV 1
OR { 265}
( segid "A " and resid 50 and name HE% )
( segid "A " and resid 71 and name HD1%)
OR { 265}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 65 and name HG23))
OR { 265}
( segid "B " and resid 50 and name HE% )
( segid "A " and resid 71 and name HD1%)
OR { 265}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 65 and name HG21))
OR { 265}
( segid "A " and resid 50 and name HE% )
(( segid "B " and resid 65 and name HG22))
ASSI { 266}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 55 and name H ))
3.200 1.300 1.300 peak 266 spectrum 1 weight .10000E+01 volume .30610E-02 ppm1 6.959 ppm2 9.404 CV 1
OR { 266}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 55 and name H ))
ASSI { 267}
( segid "A " and resid 74 and name HD% )
(( segid "A " and resid 74 and name H ))
2.900 1.000 1.000 peak 267 spectrum 1 weight .10000E+01 volume .30993E-02 ppm1 6.956 ppm2 9.444 CV 1
OR { 267}
( segid "B " and resid 74 and name HD% )
(( segid "B " and resid 74 and name H ))
assign ( segid A and resid 71 and name HD1#
or segid A and resid 71 and name HG2#
)
( segid B and resid 71 and name HD1#
or segid B and resid 71 and name HG2#
) 3.0 1.0 1.0 weight=2.0
Contact the webmaster for help, if required. Tuesday, May 28, 2024 7:40:00 PM GMT (wattos1)