NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12921 |
1ttn   |
6609 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI \{ 35\}\par
(( segid " " and resid 60 and name HN ))\par
(( segid " " and resid 59 and name HA ))\par
3.200 3.200 2.800 peak 35 spectrum 1 weight 0.11000E+01 volume 0.10155E-02 ppm1 9.146 ppm2 4.226 CV 1\par
ASSI \{ 39\}\par
(( segid " " and resid 60 and name HN ))\par
(( segid " " and resid 59 and name HN ))\par
3.500 3.500 2.500 peak 39 spectrum 1 weight 0.11000E+01 volume 0.15913E-02 ppm1 9.145 ppm2 6.399 CV 1\par
ASSI \{ 40\}\par
(( segid " " and resid 60 and name HN ))\par
(( segid " " and resid 63 and name HB1 ))\par
3.500 3.500 2.500 peak 40 spectrum 1 weight 0.11000E+01 volume 0.17908E-02 ppm1 9.145 ppm2 3.928 CV 1\par
ASSI \{ 41\}\par
(( segid " " and resid 60 and name HN ))\par
(( segid " " and resid 60 and name HA ))\par
3.100 3.100 2.900 peak 41 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 9.145 ppm2 3.572 CV 1\par
ASSI \{ 44\}\par
(( segid " " and resid 60 and name HN ))\par
(( segid " " and resid 64 and name HG2 ))\par
3.700 3.700 2.300 peak 44 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 9.146 ppm2 2.248 CV 1\par
ASSI \{ 46\}\par
(( segid " " and resid 60 and name HN ))\par
( segid " " and resid 59 and name HG2% )\par
3.400 3.400 2.600 peak 46 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 9.146 ppm2 0.951 CV 1\par
ASSI \{ 54\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 93 and name HN ))\par
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.11000E+01 volume 0.28653E-02 ppm1 8.627 ppm2 9.697 CV 1\par
ASSI \{ 56\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 93 and name HB ))\par
2.900 1.000 1.000 peak 56 spectrum 1 weight 0.11000E+01 volume 0.26794E-02 ppm1 8.631 ppm2 2.139 CV 1\par
ASSI \{ 58\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 31 and name HN ))\par
3.400 1.400 1.400 peak 58 spectrum 1 weight 0.11000E+01 volume 0.15641E-02 ppm1 8.618 ppm2 9.011 CV 1\par
ASSI \{ 61\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 94 and name HA ))\par
2.700 0.900 0.900 peak 61 spectrum 1 weight 0.11000E+01 volume 0.23802E-02 ppm1 8.620 ppm2 4.844 CV 1\par
ASSI \{ 64\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 93 and name HA ))\par
2.700 0.900 0.900 peak 64 spectrum 1 weight 0.11000E+01 volume 0.18271E-02 ppm1 8.622 ppm2 4.191 CV 1\par
ASSI \{ 66\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 94 and name HB ))\par
2.900 1.100 1.100 peak 66 spectrum 1 weight 0.11000E+01 volume 0.20402E-02 ppm1 8.623 ppm2 2.006 CV 1\par
ASSI \{ 68\}\par
(( segid " " and resid 94 and name HN ))\par
(( segid " " and resid 94 and name HG21 ))\par
3.300 1.400 1.400 peak 68 spectrum 1 weight 0.11000E+01 volume 0.18769E-02 ppm1 8.621 ppm2 0.947 CV 1\par
ASSI \{ 72\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 65 and name HN ))\par
2.900 1.100 1.100 peak 72 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 9.701 ppm2 8.823 CV 1\par
ASSI \{ 78\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 66 and name HA ))\par
3.600 1.600 1.600 peak 78 spectrum 1 weight 0.11000E+01 volume 0.14327E-02 ppm1 9.692 ppm2 5.498 CV 1\par
ASSI \{ 79\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 94 and name HA ))\par
3.000 3.000 3.000 peak 79 spectrum 1 weight 0.11000E+01 volume 0.27112E-02 ppm1 9.693 ppm2 4.852 CV 1\par
ASSI \{ 80\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 92 and name HA ))\par
3.000 1.200 1.200 peak 80 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 9.694 ppm2 4.661 CV 1\par
ASSI \{ 81\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 93 and name HA ))\par
2.700 0.900 0.900 peak 81 spectrum 1 weight 0.11000E+01 volume 0.23484E-02 ppm1 9.693 ppm2 4.190 CV 1\par
ASSI \{ 82\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 94 and name HB ))\par
3.300 3.300 2.700 peak 82 spectrum 1 weight 0.11000E+01 volume 0.23575E-02 ppm1 9.692 ppm2 1.993 CV 1\par
ASSI \{ 83\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 93 and name HG11 ))\par
3.200 1.300 1.300 peak 83 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 9.693 ppm2 1.625 CV 1\par
ASSI \{ 84\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 93 and name HG12 ))\par
2.900 1.000 1.000 peak 84 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 9.694 ppm2 1.373 CV 1\par
ASSI \{ 86\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 93 and name HD11 ))\par
3.700 1.700 1.700 peak 86 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 9.695 ppm2 0.733 CV 1\par
ASSI \{ 91\}\par
(( segid " " and resid 93 and name HN ))\par
(( segid " " and resid 93 and name HB ))\par
3.200 1.300 1.300 peak 91 spectrum 1 weight 0.11000E+01 volume 0.20220E-02 ppm1 9.688 ppm2 2.137 CV 1\par
ASSI \{ 92\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 89 and name HN ))\par
3.100 1.200 1.200 peak 92 spectrum 1 weight 0.11000E+01 volume 0.21852E-02 ppm1 8.677 ppm2 7.816 CV 1\par
ASSI \{ 94\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 29 and name HN ))\par
3.400 1.400 1.400 peak 94 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 8.669 ppm2 8.506 CV 1\par
ASSI \{ 95\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 28 and name HA ))\par
3.000 1.100 1.100 peak 95 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 8.667 ppm2 5.305 CV 1\par
ASSI \{ 99\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 90 and name HB ))\par
3.200 1.300 1.300 peak 99 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 8.668 ppm2 1.996 CV 1\par
ASSI \{ 100\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 27 and name HB2 ))\par
3.900 1.900 1.900 peak 100 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 8.668 ppm2 1.862 CV 1\par
ASSI \{ 101\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 89 and name HB ))\par
4.000 2.000 2.000 peak 101 spectrum 1 weight 0.11000E+01 volume 0.13238E-02 ppm1 8.670 ppm2 1.756 CV 1\par
ASSI \{ 104\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 90 and name HG21 ))\par
2.700 0.900 0.900 peak 104 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 8.669 ppm2 1.133 CV 1\par
ASSI \{ 105\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 90 and name HG11 ))\par
4.000 2.000 2.000 peak 105 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 8.667 ppm2 0.835 CV 1\par
ASSI \{ 106\}\par
(( segid " " and resid 90 and name HN ))\par
(( segid " " and resid 89 and name HG21 ))\par
3.300 1.400 1.400 peak 106 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.669 ppm2 0.662 CV 1\par
ASSI \{ 107\}\par
(( segid " " and resid 90 and name HN ))\par
( segid " " and resid 28 and name HD1% )\par
3.300 1.400 1.400 peak 107 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 8.670 ppm2 0.244 CV 1\par
ASSI \{ 153\}\par
(( segid " " and resid 38 and name HN ))\par
(( segid " " and resid 37 and name HN ))\par
3.500 1.500 1.500 peak 153 spectrum 1 weight 0.11000E+01 volume 0.15415E-02 ppm1 9.180 ppm2 8.383 CV 1\par
ASSI \{ 154\}\par
(( segid " " and resid 38 and name HN ))\par
(( segid " " and resid 37 and name HA ))\par
2.800 1.000 1.000 peak 154 spectrum 1 weight 0.11000E+01 volume 0.99742E-03 ppm1 9.180 ppm2 5.063 CV 1\par
ASSI \{ 155\}\par
(( segid " " and resid 38 and name HN ))\par
(( segid " " and resid 25 and name HA ))\par
3.100 3.100 2.900 peak 155 spectrum 1 weight 0.11000E+01 volume 0.15732E-02 ppm1 9.181 ppm2 4.937 CV 1\par
ASSI \{ 159\}\par
(( segid " " and resid 38 and name HN ))\par
(( segid " " and resid 38 and name HB2 ))\par
3.300 1.300 1.300 peak 159 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 9.180 ppm2 1.791 CV 1\par
ASSI \{ 160\}\par
(( segid " " and resid 38 and name HN ))\par
(( segid " " and resid 38 and name HB1 ))\par
3.000 1.100 1.100 peak 160 spectrum 1 weight 0.11000E+01 volume 0.10790E-02 ppm1 9.180 ppm2 1.507 CV 1\par
ASSI \{ 161\}\par
(( segid " " and resid 38 and name HN ))\par
(( segid " " and resid 37 and name HG2 ))\par
3.800 1.800 1.800 peak 161 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 9.181 ppm2 1.122 CV 1\par
ASSI \{ 162\}\par
(( segid " " and resid 38 and name HN ))\par
( segid " " and resid 38 and name HD2% )\par
3.900 1.900 1.900 peak 162 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 9.179 ppm2 0.943 CV 1\par
ASSI \{ 167\}\par
(( segid " " and resid 66 and name HN ))\par
(( segid " " and resid 65 and name HN ))\par
3.500 1.500 1.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.18633E-02 ppm1 9.068 ppm2 8.832 CV 1\par
ASSI \{ 168\}\par
(( segid " " and resid 66 and name HN ))\par
(( segid " " and resid 67 and name HN ))\par
3.500 1.500 1.500 peak 168 spectrum 1 weight 0.11000E+01 volume 0.18407E-02 ppm1 9.058 ppm2 9.446 CV 1\par
ASSI \{ 171\}\par
(( segid " " and resid 66 and name HN ))\par
(( segid " " and resid 66 and name HA ))\par
3.000 1.100 1.100 peak 171 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 9.063 ppm2 5.500 CV 1\par
ASSI \{ 173\}\par
(( segid " " and resid 66 and name HN ))\par
(( segid " " and resid 66 and name HB2 ))\par
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 9.062 ppm2 3.157 CV 1\par
ASSI \{ 174\}\par
(( segid " " and resid 66 and name HN ))\par
(( segid " " and resid 66 and name HB1 ))\par
3.600 1.600 1.600 peak 174 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 9.063 ppm2 3.044 CV 1\par
ASSI \{ 180\}\par
(( segid " " and resid 39 and name HN ))\par
(( segid " " and resid 38 and name HA ))\par
3.000 1.100 1.100 peak 180 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 8.447 ppm2 4.570 CV 1\par
ASSI \{ 181\}\par
(( segid " " and resid 39 and name HN ))\par
(( segid " " and resid 39 and name HA ))\par
3.000 1.100 1.100 peak 181 spectrum 1 weight 0.11000E+01 volume 0.13283E-02 ppm1 8.446 ppm2 4.420 CV 1\par
ASSI \{ 182\}\par
(( segid " " and resid 39 and name HN ))\par
(( segid " " and resid 39 and name HB ))\par
3.200 1.300 1.300 peak 182 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 8.447 ppm2 1.919 CV 1\par
ASSI \{ 186\}\par
(( segid " " and resid 39 and name HN ))\par
( segid " " and resid 39 and name HG1% )\par
4.100 2.100 1.900 peak 186 spectrum 1 weight 0.11000E+01 volume 0.98384E-03 ppm1 8.447 ppm2 0.862 CV 1\par
ASSI \{ 187\}\par
(( segid " " and resid 39 and name HN ))\par
(( segid " " and resid 38 and name HN ))\par
3.500 1.600 1.600 peak 187 spectrum 1 weight 0.11000E+01 volume 0.17636E-02 ppm1 8.444 ppm2 9.183 CV 1\par
ASSI \{ 201\}\par
(( segid " " and resid 26 and name HN ))\par
(( segid " " and resid 25 and name HA ))\par
3.300 1.300 1.300 peak 201 spectrum 1 weight 0.11000E+01 volume 0.89767E-03 ppm1 9.082 ppm2 4.936 CV 1\par
ASSI \{ 202\}\par
(( segid " " and resid 26 and name HN ))\par
(( segid " " and resid 39 and name HA ))\par
3.200 1.300 1.300 peak 202 spectrum 1 weight 0.11000E+01 volume 0.13918E-02 ppm1 9.075 ppm2 4.430 CV 1\par
ASSI \{ 209\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 34 and name HA ))\par
2.900 1.100 1.100 peak 209 spectrum 1 weight 0.11000E+01 volume 0.25752E-02 ppm1 9.018 ppm2 4.412 CV 1\par
ASSI \{ 210\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 30 and name HB2 ))\par
3.000 1.100 1.100 peak 210 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 9.017 ppm2 1.898 CV 1\par
ASSI \{ 214\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 34 and name HN ))\par
2.900 1.000 1.000 peak 214 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 9.010 ppm2 6.861 CV 1\par
ASSI \{ 215\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 35 and name HA ))\par
3.300 1.400 1.400 peak 215 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 9.013 ppm2 5.404 CV 1\par
ASSI \{ 216\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 30 and name HA ))\par
2.700 0.900 0.900 peak 216 spectrum 1 weight 0.11000E+01 volume 0.23031E-02 ppm1 9.015 ppm2 5.221 CV 1\par
ASSI \{ 217\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 29 and name HA ))\par
2.800 1.000 1.000 peak 217 spectrum 1 weight 0.11000E+01 volume 0.17364E-02 ppm1 9.014 ppm2 5.027 CV 1\par
ASSI \{ 219\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 30 and name HB1 ))\par
3.500 1.500 1.500 peak 219 spectrum 1 weight 0.11000E+01 volume 0.98836E-03 ppm1 9.013 ppm2 1.604 CV 1\par
ASSI \{ 221\}\par
(( segid " " and resid 30 and name HN ))\par
( segid " " and resid 30 and name HD2% )\par
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 9.015 ppm2 0.733 CV 1\par
OR \{ 221\}\par
(( segid " " and resid 30 and name HN ))\par
( segid " " and resid 30 and name HD1% )\par
ASSI \{ 236\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 67 and name HN ))\par
3.000 1.100 1.100 peak 236 spectrum 1 weight 0.11000E+01 volume 0.15278E-02 ppm1 8.374 ppm2 9.446 CV 1\par
ASSI \{ 237\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 90 and name HN ))\par
3.200 1.300 1.300 peak 237 spectrum 1 weight 0.11000E+01 volume 0.26703E-02 ppm1 8.375 ppm2 8.670 CV 1\par
ASSI \{ 240\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 68 and name HA ))\par
3.000 1.100 1.100 peak 240 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 8.378 ppm2 5.291 CV 1\par
ASSI \{ 241\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 91 and name HA ))\par
2.700 0.900 0.900 peak 241 spectrum 1 weight 0.11000E+01 volume 0.22215E-02 ppm1 8.373 ppm2 4.671 CV 1\par
ASSI \{ 242\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 90 and name HA ))\par
2.700 0.900 0.900 peak 242 spectrum 1 weight 0.11000E+01 volume 0.16865E-02 ppm1 8.375 ppm2 4.286 CV 1\par
ASSI \{ 243\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 91 and name HG2 ))\par
3.600 1.600 1.600 peak 243 spectrum 1 weight 0.11000E+01 volume 0.21626E-02 ppm1 8.374 ppm2 2.342 CV 1\par
ASSI \{ 244\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 91 and name HB2 ))\par
2.600 0.900 0.900 peak 244 spectrum 1 weight 0.11000E+01 volume 0.19314E-02 ppm1 8.373 ppm2 2.076 CV 1\par
ASSI \{ 245\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 90 and name HG21 ))\par
3.600 1.600 1.600 peak 245 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 8.374 ppm2 1.126 CV 1\par
ASSI \{ 246\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 90 and name HG11 ))\par
3.200 1.300 1.300 peak 246 spectrum 1 weight 0.11000E+01 volume 0.19178E-02 ppm1 8.375 ppm2 0.848 CV 1\par
ASSI \{ 248\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 67 and name HB2 ))\par
3.100 1.200 1.200 peak 248 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 8.371 ppm2 2.966 CV 1\par
ASSI \{ 253\}\par
(( segid " " and resid 69 and name HN ))\par
(( segid " " and resid 69 and name HG ))\par
3.700 1.700 1.700 peak 253 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 8.933 ppm2 2.984 CV 1\par
ASSI \{ 266\}\par
(( segid " " and resid 27 and name HN ))\par
(( segid " " and resid 28 and name HN ))\par
3.500 1.500 1.500 peak 266 spectrum 1 weight 0.11000E+01 volume 0.18815E-02 ppm1 9.061 ppm2 8.772 CV 1\par
ASSI \{ 268\}\par
(( segid " " and resid 27 and name HN ))\par
(( segid " " and resid 89 and name HA ))\par
3.100 1.200 1.200 peak 268 spectrum 1 weight 0.11000E+01 volume 0.18860E-02 ppm1 9.064 ppm2 4.192 CV 1\par
ASSI \{ 269\}\par
(( segid " " and resid 27 and name HN ))\par
(( segid " " and resid 88 and name HB2 ))\par
2.900 2.900 3.100 peak 269 spectrum 1 weight 0.11000E+01 volume 0.26114E-02 ppm1 9.064 ppm2 3.139 CV 1\par
ASSI \{ 270\}\par
(( segid " " and resid 27 and name HN ))\par
(( segid " " and resid 27 and name HB2 ))\par
2.700 0.900 0.900 peak 270 spectrum 1 weight 0.11000E+01 volume 0.19767E-02 ppm1 9.064 ppm2 1.864 CV 1\par
ASSI \{ 273\}\par
(( segid " " and resid 27 and name HN ))\par
(( segid " " and resid 89 and name HG21 ))\par
3.400 1.400 1.400 peak 273 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 9.060 ppm2 0.706 CV 1\par
ASSI \{ 276\}\par
(( segid " " and resid 69 and name HN ))\par
(( segid " " and resid 68 and name HA ))\par
3.100 1.200 1.200 peak 276 spectrum 1 weight 0.11000E+01 volume 0.11697E-02 ppm1 8.930 ppm2 5.284 CV 1\par
ASSI \{ 277\}\par
(( segid " " and resid 69 and name HN ))\par
(( segid " " and resid 69 and name HA ))\par
3.200 3.200 2.800 peak 277 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 8.931 ppm2 4.759 CV 1\par
ASSI \{ 278\}\par
(( segid " " and resid 69 and name HN ))\par
(( segid " " and resid 69 and name HB2 ))\par
3.400 3.400 2.600 peak 278 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 8.932 ppm2 3.801 CV 1\par
ASSI \{ 279\}\par
(( segid " " and resid 69 and name HN ))\par
(( segid " " and resid 68 and name HB2 ))\par
3.500 1.500 1.500 peak 279 spectrum 1 weight 0.11000E+01 volume 0.16503E-02 ppm1 8.929 ppm2 3.242 CV 1\par
ASSI \{ 284\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 36 and name HN ))\par
3.000 1.100 1.100 peak 284 spectrum 1 weight 0.11000E+01 volume 0.26522E-02 ppm1 8.389 ppm2 8.895 CV 1\par
ASSI \{ 286\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 34 and name HN ))\par
2.900 1.100 1.100 peak 286 spectrum 1 weight 0.11000E+01 volume 0.25797E-02 ppm1 8.389 ppm2 6.857 CV 1\par
ASSI \{ 287\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 35 and name HA ))\par
2.900 1.100 1.100 peak 287 spectrum 1 weight 0.11000E+01 volume 0.21989E-02 ppm1 8.391 ppm2 5.411 CV 1\par
ASSI \{ 289\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 34 and name HA ))\par
3.000 1.100 1.100 peak 289 spectrum 1 weight 0.11000E+01 volume 0.15823E-02 ppm1 8.390 ppm2 4.414 CV 1\par
ASSI \{ 290\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 35 and name HB2 ))\par
3.200 1.300 1.300 peak 290 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.390 ppm2 2.621 CV 1\par
ASSI \{ 291\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 35 and name HB1 ))\par
3.000 1.100 1.100 peak 291 spectrum 1 weight 0.11000E+01 volume 0.19178E-02 ppm1 8.390 ppm2 2.507 CV 1\par
ASSI \{ 292\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 34 and name HB2 ))\par
3.500 1.500 1.500 peak 292 spectrum 1 weight 0.11000E+01 volume 0.19721E-02 ppm1 8.391 ppm2 1.585 CV 1\par
ASSI \{ 293\}\par
(( segid " " and resid 35 and name HN ))\par
(( segid " " and resid 34 and name HB1 ))\par
3.400 1.500 1.500 peak 293 spectrum 1 weight 0.11000E+01 volume 0.20719E-02 ppm1 8.389 ppm2 1.277 CV 1\par
ASSI \{ 364\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 79 and name HN ))\par
3.900 1.900 1.900 peak 364 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 8.825 ppm2 8.960 CV 1\par
ASSI \{ 366\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 50 and name HN ))\par
3.700 1.700 1.700 peak 366 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.826 ppm2 8.456 CV 1\par
ASSI \{ 367\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 77 and name HN ))\par
3.100 1.200 1.200 peak 367 spectrum 1 weight 0.11000E+01 volume 0.20311E-02 ppm1 8.823 ppm2 7.656 CV 1\par
ASSI \{ 368\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 45 and name HA ))\par
3.000 3.000 3.000 peak 368 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.823 ppm2 5.338 CV 1\par
ASSI \{ 369\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 49 and name HA ))\par
4.000 4.000 2.000 peak 369 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 8.823 ppm2 4.717 CV 1\par
ASSI \{ 370\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 48 and name HB1 ))\par
3.800 3.800 2.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.13510E-02 ppm1 8.821 ppm2 3.246 CV 1\par
ASSI \{ 371\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 49 and name HB2 ))\par
3.100 1.200 1.200 peak 371 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 8.824 ppm2 2.848 CV 1\par
ASSI \{ 373\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 46 and name HB ))\par
3.000 1.100 1.100 peak 373 spectrum 1 weight 0.11000E+01 volume 0.11697E-02 ppm1 8.822 ppm2 2.321 CV 1\par
ASSI \{ 374\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 77 and name HB2 ))\par
2.900 1.000 1.000 peak 374 spectrum 1 weight 0.11000E+01 volume 0.16820E-02 ppm1 8.825 ppm2 2.052 CV 1\par
ASSI \{ 375\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 49 and name HB1 ))\par
3.600 1.600 1.600 peak 375 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.824 ppm2 1.904 CV 1\par
ASSI \{ 376\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 45 and name HG21 ))\par
3.700 1.700 1.700 peak 376 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.823 ppm2 1.375 CV 1\par
ASSI \{ 377\}\par
(( segid " " and resid 46 and name HN ))\par
( segid " " and resid 46 and name HG2% )\par
3.100 1.200 1.200 peak 377 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 8.823 ppm2 0.788 CV 1\par
ASSI \{ 378\}\par
(( segid " " and resid 46 and name HN ))\par
( segid " " and resid 46 and name HG1% )\par
3.900 1.900 1.900 peak 378 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.824 ppm2 0.141 CV 1\par
ASSI \{ 379\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 45 and name HB ))\par
3.300 1.300 1.300 peak 379 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.819 ppm2 4.871 CV 1\par
ASSI \{ 380\}\par
(( segid " " and resid 46 and name HN ))\par
(( segid " " and resid 75 and name HA ))\par
3.500 1.500 1.500 peak 380 spectrum 1 weight 0.11000E+01 volume 0.14236E-02 ppm1 8.820 ppm2 4.291 CV 1\par
ASSI \{ 393\}\par
(( segid " " and resid 99 and name HN ))\par
(( segid " " and resid 99 and name HA ))\par
3.200 3.200 2.800 peak 393 spectrum 1 weight 0.11000E+01 volume 0.12558E-02 ppm1 8.458 ppm2 4.298 CV 1\par
ASSI \{ 394\}\par
(( segid " " and resid 99 and name HN ))\par
(( segid " " and resid 98 and name HA ))\par
3.400 1.400 1.400 peak 394 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 8.457 ppm2 4.035 CV 1\par
ASSI \{ 396\}\par
(( segid " " and resid 99 and name HN ))\par
(( segid " " and resid 96 and name HB2 ))\par
3.400 1.400 1.400 peak 396 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 8.459 ppm2 1.957 CV 1\par
ASSI \{ 412\}\par
(( segid " " and resid 99 and name HN ))\par
(( segid " " and resid 96 and name HA ))\par
2.800 1.000 1.000 peak 412 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.445 ppm2 4.558 CV 1\par
ASSI \{ 416\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 42 and name HN ))\par
2.900 1.100 1.100 peak 416 spectrum 1 weight 0.11000E+01 volume 0.22669E-02 ppm1 7.956 ppm2 8.773 CV 1\par
ASSI \{ 428\}\par
(( segid " " and resid 92 and name HN ))\par
( segid " " and resid 30 and name HD1% )\par
3.800 1.800 1.800 peak 428 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 8.381 ppm2 0.701 CV 1\par
ASSI \{ 429\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 93 and name HN ))\par
3.300 1.300 1.300 peak 429 spectrum 1 weight 0.11000E+01 volume 0.18226E-02 ppm1 8.373 ppm2 9.703 CV 1\par
ASSI \{ 431\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 30 and name HA ))\par
3.000 1.100 1.100 peak 431 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.376 ppm2 5.227 CV 1\par
ASSI \{ 432\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 92 and name HA ))\par
2.900 1.000 1.000 peak 432 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 8.376 ppm2 4.673 CV 1\par
ASSI \{ 435\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 92 and name HB ))\par
3.400 1.400 1.400 peak 435 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 8.377 ppm2 1.692 CV 1\par
ASSI \{ 437\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 92 and name HG21 ))\par
3.100 1.200 1.200 peak 437 spectrum 1 weight 0.11000E+01 volume 0.23892E-02 ppm1 8.375 ppm2 0.553 CV 1\par
ASSI \{ 438\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.500 1.500 1.500 peak 438 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.376 ppm2 -0.379 CV 1\par
ASSI \{ 439\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 91 and name HG2 ))\par
3.000 1.100 1.100 peak 439 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 8.372 ppm2 2.344 CV 1\par
ASSI \{ 440\}\par
(( segid " " and resid 92 and name HN ))\par
(( segid " " and resid 29 and name HB2 ))\par
3.800 1.800 1.800 peak 440 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.371 ppm2 1.541 CV 1\par
ASSI \{ 446\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 49 and name HN ))\par
3.400 3.400 2.600 peak 446 spectrum 1 weight 0.11000E+01 volume 0.24300E-02 ppm1 7.972 ppm2 8.463 CV 1\par
ASSI \{ 448\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 48 and name HB2 ))\par
3.500 3.500 2.500 peak 448 spectrum 1 weight 0.11000E+01 volume 0.25887E-02 ppm1 7.966 ppm2 3.390 CV 1\par
ASSI \{ 450\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 41 and name HB2 ))\par
3.400 3.400 2.600 peak 450 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 7.967 ppm2 1.583 CV 1\par
ASSI \{ 451\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 79 and name HN ))\par
3.100 3.100 2.900 peak 451 spectrum 1 weight 0.11000E+01 volume 0.18044E-02 ppm1 7.961 ppm2 8.918 CV 1\par
ASSI \{ 452\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 43 and name HN ))\par
3.100 1.200 1.200 peak 452 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.964 ppm2 6.736 CV 1\par
ASSI \{ 453\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 44 and name HA ))\par
3.100 1.200 1.200 peak 453 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 7.964 ppm2 4.455 CV 1\par
ASSI \{ 454\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 43 and name HA ))\par
3.200 1.300 1.300 peak 454 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 7.965 ppm2 4.176 CV 1\par
ASSI \{ 455\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 42 and name HA ))\par
3.000 1.100 1.100 peak 455 spectrum 1 weight 0.11000E+01 volume 0.17636E-02 ppm1 7.962 ppm2 3.584 CV 1\par
ASSI \{ 457\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 44 and name HB2 ))\par
3.000 1.100 1.100 peak 457 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 7.963 ppm2 2.991 CV 1\par
ASSI \{ 458\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 41 and name HD2 ))\par
2.800 2.800 3.200 peak 458 spectrum 1 weight 0.11000E+01 volume 0.12558E-02 ppm1 7.963 ppm2 2.828 CV 1\par
ASSI \{ 459\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 40 and name HB ))\par
3.500 1.500 1.500 peak 459 spectrum 1 weight 0.11000E+01 volume 0.15913E-02 ppm1 7.965 ppm2 2.476 CV 1\par
ASSI \{ 460\}\par
(( segid " " and resid 44 and name HN ))\par
(( segid " " and resid 45 and name HG21 ))\par
2.900 1.100 1.100 peak 460 spectrum 1 weight 0.11000E+01 volume 0.21671E-02 ppm1 7.964 ppm2 1.379 CV 1\par
ASSI \{ 465\}\par
(( segid " " and resid 79 and name HN ))\par
(( segid " " and resid 80 and name HA ))\par
3.400 3.400 2.600 peak 465 spectrum 1 weight 0.11000E+01 volume 0.27746E-02 ppm1 8.914 ppm2 4.029 CV 1\par
ASSI \{ 471\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 94 and name HG21 ))\par
2.500 2.500 3.500 peak 471 spectrum 1 weight 0.11000E+01 volume 0.28109E-02 ppm1 8.473 ppm2 0.949 CV 1\par
ASSI \{ 490\}\par
(( segid " " and resid 79 and name HN ))\par
(( segid " " and resid 78 and name HN ))\par
3.500 3.500 2.500 peak 490 spectrum 1 weight 0.11000E+01 volume 0.14508E-02 ppm1 8.931 ppm2 8.776 CV 1\par
ASSI \{ 493\}\par
(( segid " " and resid 79 and name HN ))\par
(( segid " " and resid 45 and name HB ))\par
3.700 1.700 1.700 peak 493 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 8.926 ppm2 4.862 CV 1\par
ASSI \{ 494\}\par
(( segid " " and resid 79 and name HN ))\par
(( segid " " and resid 78 and name HA ))\par
3.100 1.200 1.200 peak 494 spectrum 1 weight 0.11000E+01 volume 0.10745E-02 ppm1 8.928 ppm2 4.711 CV 1\par
ASSI \{ 496\}\par
(( segid " " and resid 79 and name HN ))\par
(( segid " " and resid 79 and name HA ))\par
3.100 1.200 1.200 peak 496 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.930 ppm2 3.815 CV 1\par
ASSI \{ 502\}\par
(( segid " " and resid 79 and name HN ))\par
(( segid " " and resid 78 and name HB2 ))\par
3.100 1.200 1.200 peak 502 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 8.928 ppm2 1.606 CV 1\par
ASSI \{ 507\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 96 and name HN ))\par
2.700 0.900 0.900 peak 507 spectrum 1 weight 0.11000E+01 volume 0.25253E-02 ppm1 8.805 ppm2 8.439 CV 1\par
ASSI \{ 512\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 94 and name HA ))\par
3.000 1.100 1.100 peak 512 spectrum 1 weight 0.11000E+01 volume 0.21807E-02 ppm1 8.449 ppm2 4.906 CV 1\par
ASSI \{ 513\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 63 and name HB1 ))\par
3.400 1.400 1.400 peak 513 spectrum 1 weight 0.11000E+01 volume 0.21671E-02 ppm1 8.450 ppm2 3.977 CV 1\par
ASSI \{ 514\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 96 and name HG2 ))\par
2.900 1.000 1.000 peak 514 spectrum 1 weight 0.11000E+01 volume 0.22396E-02 ppm1 8.446 ppm2 2.382 CV 1\par
ASSI \{ 517\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 94 and name HN ))\par
2.600 2.600 3.400 peak 517 spectrum 1 weight 0.11000E+01 volume 0.16231E-02 ppm1 8.444 ppm2 8.619 CV 1\par
ASSI \{ 518\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 96 and name HA ))\par
3.000 3.000 3.000 peak 518 spectrum 1 weight 0.11000E+01 volume 0.19041E-02 ppm1 8.442 ppm2 4.720 CV 1\par
ASSI \{ 519\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 95 and name HA ))\par
3.100 1.200 1.200 peak 519 spectrum 1 weight 0.11000E+01 volume 0.15596E-02 ppm1 8.444 ppm2 4.555 CV 1\par
ASSI \{ 521\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 95 and name HB2 ))\par
3.400 1.500 1.500 peak 521 spectrum 1 weight 0.11000E+01 volume 0.19132E-02 ppm1 8.444 ppm2 3.825 CV 1\par
ASSI \{ 523\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 96 and name HB2 ))\par
3.000 1.100 1.100 peak 523 spectrum 1 weight 0.11000E+01 volume 0.18633E-02 ppm1 8.444 ppm2 1.936 CV 1\par
ASSI \{ 532\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 94 and name HN ))\par
2.900 1.000 1.000 peak 532 spectrum 1 weight 0.11000E+01 volume 0.27520E-02 ppm1 8.808 ppm2 8.636 CV 1\par
ASSI \{ 534\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 94 and name HA ))\par
2.800 1.000 1.000 peak 534 spectrum 1 weight 0.11000E+01 volume 0.15958E-02 ppm1 8.810 ppm2 4.864 CV 1\par
ASSI \{ 535\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 63 and name HA ))\par
3.500 1.600 1.600 peak 535 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 8.810 ppm2 4.713 CV 1\par
ASSI \{ 536\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 95 and name HA ))\par
2.900 1.100 1.100 peak 536 spectrum 1 weight 0.11000E+01 volume 0.19948E-02 ppm1 8.808 ppm2 4.553 CV 1\par
ASSI \{ 538\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 95 and name HB2 ))\par
2.800 1.000 1.000 peak 538 spectrum 1 weight 0.11000E+01 volume 0.19676E-02 ppm1 8.808 ppm2 3.827 CV 1\par
ASSI \{ 539\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 94 and name HB ))\par
3.600 1.600 1.600 peak 539 spectrum 1 weight 0.11000E+01 volume 0.24165E-02 ppm1 8.809 ppm2 2.002 CV 1\par
ASSI \{ 540\}\par
(( segid " " and resid 95 and name HN ))\par
(( segid " " and resid 94 and name HG21 ))\par
3.100 3.100 2.900 peak 540 spectrum 1 weight 0.11000E+01 volume 0.18543E-02 ppm1 8.809 ppm2 0.947 CV 1\par
ASSI \{ 550\}\par
(( segid " " and resid 73 and name HN ))\par
(( segid " " and resid 67 and name HA ))\par
3.000 1.100 1.100 peak 550 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 8.222 ppm2 5.364 CV 1\par
ASSI \{ 552\}\par
(( segid " " and resid 73 and name HN ))\par
(( segid " " and resid 73 and name HA ))\par
3.300 1.300 1.300 peak 552 spectrum 1 weight 0.11000E+01 volume 0.99289E-03 ppm1 8.221 ppm2 4.199 CV 1\par
ASSI \{ 558\}\par
(( segid " " and resid 73 and name HN ))\par
( segid " " and resid 46 and name HG2% )\par
3.400 3.400 2.600 peak 558 spectrum 1 weight 0.11000E+01 volume 0.15006E-02 ppm1 8.221 ppm2 0.793 CV 1\par
ASSI \{ 570\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 87 and name HN ))\par
3.000 1.100 1.100 peak 570 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.994 ppm2 8.703 CV 1\par
ASSI \{ 573\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 89 and name HN ))\par
3.300 1.300 1.300 peak 573 spectrum 1 weight 0.11000E+01 volume 0.15233E-02 ppm1 7.993 ppm2 7.830 CV 1\par
ASSI \{ 575\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 88 and name HA ))\par
3.200 1.300 1.300 peak 575 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 7.993 ppm2 4.460 CV 1\par
ASSI \{ 576\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 89 and name HA ))\par
3.100 3.100 2.900 peak 576 spectrum 1 weight 0.11000E+01 volume 0.13647E-02 ppm1 7.993 ppm2 4.181 CV 1\par
ASSI \{ 577\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 88 and name HB2 ))\par
3.100 1.200 1.200 peak 577 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 7.994 ppm2 3.135 CV 1\par
ASSI \{ 578\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 87 and name HB2 ))\par
3.500 1.600 1.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.15233E-02 ppm1 7.995 ppm2 2.829 CV 1\par
ASSI \{ 580\}\par
(( segid " " and resid 88 and name HN ))\par
(( segid " " and resid 89 and name HB ))\par
3.200 3.200 2.800 peak 580 spectrum 1 weight 0.11000E+01 volume 0.13012E-02 ppm1 7.993 ppm2 1.743 CV 1\par
ASSI \{ 588\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 52 and name HN ))\par
3.000 1.100 1.100 peak 588 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 8.659 ppm2 8.204 CV 1\par
ASSI \{ 590\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 54 and name HN ))\par
3.000 1.100 1.100 peak 590 spectrum 1 weight 0.11000E+01 volume 0.12422E-02 ppm1 8.654 ppm2 8.367 CV 1\par
ASSI \{ 593\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 50 and name HA ))\par
3.200 1.300 1.300 peak 593 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.654 ppm2 4.547 CV 1\par
ASSI \{ 594\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 53 and name HA ))\par
3.000 1.200 1.200 peak 594 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 8.653 ppm2 4.243 CV 1\par
ASSI \{ 595\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 49 and name HA ))\par
3.100 3.100 2.900 peak 595 spectrum 1 weight 0.11000E+01 volume 0.17591E-02 ppm1 8.653 ppm2 3.792 CV 1\par
ASSI \{ 599\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 53 and name HB2 ))\par
2.800 1.000 1.000 peak 599 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 8.653 ppm2 2.456 CV 1\par
ASSI \{ 601\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 54 and name HB2 ))\par
3.800 1.800 1.800 peak 601 spectrum 1 weight 0.11000E+01 volume 0.11062E-02 ppm1 8.652 ppm2 1.830 CV 1\par
OR \{ 601\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 54 and name HB1 ))\par
ASSI \{ 602\}\par
(( segid " " and resid 53 and name HN ))\par
(( segid " " and resid 53 and name HG ))\par
3.800 3.800 2.200 peak 602 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 8.653 ppm2 1.638 CV 1\par
ASSI \{ 605\}\par
(( segid " " and resid 96 and name HN ))\par
(( segid " " and resid 98 and name HN ))\par
3.000 3.000 3.000 peak 605 spectrum 1 weight 0.11000E+01 volume 0.29469E-02 ppm1 8.464 ppm2 8.186 CV 1\par
ASSI \{ 606\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 57 and name HG1 ))\par
3.300 3.300 2.700 peak 606 spectrum 1 weight 0.11000E+01 volume 0.12830E-02 ppm1 8.390 ppm2 2.305 CV 1\par
ASSI \{ 607\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 60 and name HN ))\par
3.200 3.200 2.800 peak 607 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.385 ppm2 9.090 CV 1\par
ASSI \{ 612\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 50 and name HA ))\par
3.300 1.400 1.400 peak 612 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 8.387 ppm2 4.547 CV 1\par
ASSI \{ 614\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 54 and name HA ))\par
3.000 1.100 1.100 peak 614 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.387 ppm2 3.814 CV 1\par
ASSI \{ 618\}\par
(( segid " " and resid 73 and name HN ))\par
(( segid " " and resid 71 and name HN ))\par
3.300 3.300 2.700 peak 618 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 8.191 ppm2 8.033 CV 1\par
ASSI \{ 623\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 41 and name HB2 ))\par
3.000 3.000 3.000 peak 623 spectrum 1 weight 0.11000E+01 volume 0.29333E-02 ppm1 8.913 ppm2 1.576 CV 1\par
OR \{ 623\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 41 and name HB1 ))\par
ASSI \{ 630\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 52 and name HN ))\par
3.400 1.400 1.400 peak 630 spectrum 1 weight 0.11000E+01 volume 0.16775E-02 ppm1 8.370 ppm2 8.199 CV 1\par
ASSI \{ 632\}\par
(( segid " " and resid 54 and name HN ))\par
( segid " " and resid 53 and name HD1% )\par
3.600 1.600 1.600 peak 632 spectrum 1 weight 0.11000E+01 volume 0.13873E-02 ppm1 8.370 ppm2 0.925 CV 1\par
ASSI \{ 638\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 68 and name HA ))\par
3.400 3.400 2.600 peak 638 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 8.047 ppm2 5.341 CV 1\par
ASSI \{ 639\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 69 and name HB2 ))\par
2.700 2.700 3.300 peak 639 spectrum 1 weight 0.11000E+01 volume 0.14327E-02 ppm1 8.047 ppm2 3.827 CV 1\par
ASSI \{ 640\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 67 and name HB2 ))\par
4.000 2.000 2.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.14825E-02 ppm1 8.049 ppm2 2.976 CV 1\par
ASSI \{ 642\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 68 and name HN ))\par
3.300 1.400 1.400 peak 642 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.045 ppm2 9.037 CV 1\par
ASSI \{ 643\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 70 and name HN ))\par
3.000 1.100 1.100 peak 643 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 8.045 ppm2 8.879 CV 1\par
ASSI \{ 646\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 71 and name HA ))\par
3.100 1.200 1.200 peak 646 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 8.046 ppm2 5.057 CV 1\par
ASSI \{ 647\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 70 and name HA2 ))\par
3.300 1.300 1.300 peak 647 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 8.046 ppm2 4.197 CV 1\par
ASSI \{ 648\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 70 and name HA1 ))\par
3.700 1.700 1.700 peak 648 spectrum 1 weight 0.11000E+01 volume 0.13873E-02 ppm1 8.046 ppm2 3.620 CV 1\par
ASSI \{ 649\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 68 and name HB2 ))\par
3.800 1.800 1.800 peak 649 spectrum 1 weight 0.11000E+01 volume 0.14735E-02 ppm1 8.046 ppm2 3.254 CV 1\par
ASSI \{ 650\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 67 and name HB1 ))\par
2.900 1.000 1.000 peak 650 spectrum 1 weight 0.11000E+01 volume 0.16911E-02 ppm1 8.043 ppm2 2.802 CV 1\par
ASSI \{ 651\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 71 and name HB2 ))\par
3.100 1.200 1.200 peak 651 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 8.046 ppm2 1.991 CV 1\par
ASSI \{ 652\}\par
(( segid " " and resid 71 and name HN ))\par
(( segid " " and resid 71 and name HG2 ))\par
3.700 1.700 1.700 peak 652 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.046 ppm2 1.729 CV 1\par
ASSI \{ 675\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 40 and name HN ))\par
3.000 1.100 1.100 peak 675 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.915 ppm2 8.648 CV 1\par
ASSI \{ 676\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 25 and name HA ))\par
3.200 3.200 2.800 peak 676 spectrum 1 weight 0.11000E+01 volume 0.22170E-02 ppm1 8.915 ppm2 4.951 CV 1\par
ASSI \{ 677\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 24 and name HA ))\par
2.900 1.000 1.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.913 ppm2 4.761 CV 1\par
ASSI \{ 679\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 39 and name HA ))\par
3.600 1.600 1.600 peak 679 spectrum 1 weight 0.11000E+01 volume 0.15550E-02 ppm1 8.917 ppm2 4.446 CV 1\par
ASSI \{ 681\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 24 and name HB2 ))\par
2.700 0.900 0.900 peak 681 spectrum 1 weight 0.11000E+01 volume 0.24845E-02 ppm1 8.916 ppm2 2.709 CV 1\par
ASSI \{ 682\}\par
(( segid " " and resid 24 and name HN ))\par
(( segid " " and resid 24 and name HB1 ))\par
3.200 1.300 1.300 peak 682 spectrum 1 weight 0.11000E+01 volume 0.22442E-02 ppm1 8.916 ppm2 2.356 CV 1\par
ASSI \{ 684\}\par
(( segid " " and resid 24 and name HN ))\par
( segid " " and resid 40 and name HG2% )\par
3.600 1.600 1.600 peak 684 spectrum 1 weight 0.11000E+01 volume 0.13329E-02 ppm1 8.915 ppm2 0.842 CV 1\par
ASSI \{ 695\}\par
(( segid " " and resid 65 and name HN ))\par
(( segid " " and resid 64 and name HA ))\par
3.100 1.200 1.200 peak 695 spectrum 1 weight 0.11000E+01 volume 0.89767E-03 ppm1 8.817 ppm2 4.860 CV 1\par
ASSI \{ 699\}\par
(( segid " " and resid 65 and name HN ))\par
(( segid " " and resid 65 and name HA ))\par
3.000 1.100 1.100 peak 699 spectrum 1 weight 0.11000E+01 volume 0.14462E-02 ppm1 8.788 ppm2 5.305 CV 1\par
ASSI \{ 700\}\par
(( segid " " and resid 28 and name HN ))\par
(( segid " " and resid 37 and name HA ))\par
2.900 1.000 1.000 peak 700 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.790 ppm2 5.060 CV 1\par
ASSI \{ 702\}\par
(( segid " " and resid 28 and name HN ))\par
(( segid " " and resid 27 and name HB2 ))\par
3.800 1.800 1.800 peak 702 spectrum 1 weight 0.11000E+01 volume 0.10110E-02 ppm1 8.793 ppm2 1.864 CV 1\par
ASSI \{ 706\}\par
(( segid " " and resid 28 and name HN ))\par
(( segid " " and resid 28 and name HB2 ))\par
2.900 1.100 1.100 peak 706 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 8.787 ppm2 1.371 CV 1\par
ASSI \{ 708\}\par
(( segid " " and resid 28 and name HN ))\par
( segid " " and resid 28 and name HD1% )\par
3.600 1.600 1.600 peak 708 spectrum 1 weight 0.11000E+01 volume 0.17228E-02 ppm1 8.786 ppm2 0.244 CV 1\par
ASSI \{ 709\}\par
(( segid " " and resid 28 and name HN ))\par
(( segid " " and resid 37 and name HN ))\par
2.900 2.900 3.100 peak 709 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.778 ppm2 8.411 CV 1\par
ASSI \{ 713\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 30 and name HN ))\par
3.100 1.200 1.200 peak 713 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 8.482 ppm2 9.001 CV 1\par
ASSI \{ 715\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 28 and name HA ))\par
2.800 1.000 1.000 peak 715 spectrum 1 weight 0.11000E+01 volume 0.17545E-02 ppm1 8.484 ppm2 5.302 CV 1\par
ASSI \{ 716\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 29 and name HA ))\par
3.000 1.100 1.100 peak 716 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 8.485 ppm2 5.026 CV 1\par
ASSI \{ 719\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 29 and name HB2 ))\par
2.700 0.900 0.900 peak 719 spectrum 1 weight 0.11000E+01 volume 0.19359E-02 ppm1 8.483 ppm2 1.539 CV 1\par
ASSI \{ 720\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 28 and name HB2 ))\par
3.800 1.800 1.800 peak 720 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 8.483 ppm2 1.369 CV 1\par
ASSI \{ 721\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 28 and name HB1 ))\par
2.900 1.100 1.100 peak 721 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 8.484 ppm2 1.000 CV 1\par
ASSI \{ 723\}\par
(( segid " " and resid 29 and name HN ))\par
( segid " " and resid 28 and name HD1% )\par
3.500 1.600 1.600 peak 723 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 8.484 ppm2 0.246 CV 1\par
ASSI \{ 724\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 92 and name HG21 ))\par
3.500 3.500 2.500 peak 724 spectrum 1 weight 0.11000E+01 volume 0.26885E-02 ppm1 8.483 ppm2 -0.377 CV 1\par
ASSI \{ 726\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 91 and name HG2 ))\par
3.400 1.400 1.400 peak 726 spectrum 1 weight 0.11000E+01 volume 0.22850E-02 ppm1 8.476 ppm2 2.345 CV 1\par
ASSI \{ 734\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 51 and name HA ))\par
3.300 1.400 1.400 peak 734 spectrum 1 weight 0.11000E+01 volume 0.13782E-02 ppm1 8.371 ppm2 4.020 CV 1\par
ASSI \{ 735\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 60 and name HA ))\par
3.800 3.800 2.200 peak 735 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.371 ppm2 3.518 CV 1\par
ASSI \{ 737\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 53 and name HB2 ))\par
3.000 1.100 1.100 peak 737 spectrum 1 weight 0.11000E+01 volume 0.13963E-02 ppm1 8.372 ppm2 2.459 CV 1\par
ASSI \{ 738\}\par
(( segid " " and resid 54 and name HN ))\par
(( segid " " and resid 53 and name HG ))\par
4.000 4.000 2.000 peak 738 spectrum 1 weight 0.11000E+01 volume 0.11697E-02 ppm1 8.371 ppm2 1.632 CV 1\par
ASSI \{ 745\}\par
(( segid " " and resid 52 and name HN ))\par
(( segid " " and resid 51 and name HN ))\par
3.000 1.100 1.100 peak 745 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 8.207 ppm2 7.447 CV 1\par
ASSI \{ 746\}\par
(( segid " " and resid 52 and name HN ))\par
(( segid " " and resid 52 and name HA ))\par
3.200 1.300 1.300 peak 746 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 8.203 ppm2 4.234 CV 1\par
ASSI \{ 748\}\par
(( segid " " and resid 52 and name HN ))\par
(( segid " " and resid 49 and name HA ))\par
3.000 3.000 3.000 peak 748 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 8.207 ppm2 3.788 CV 1\par
ASSI \{ 751\}\par
(( segid " " and resid 52 and name HN ))\par
(( segid " " and resid 53 and name HB2 ))\par
3.600 1.600 1.600 peak 751 spectrum 1 weight 0.11000E+01 volume 0.16140E-02 ppm1 8.207 ppm2 2.468 CV 1\par
ASSI \{ 753\}\par
(( segid " " and resid 52 and name HN ))\par
(( segid " " and resid 54 and name HB2 ))\par
4.000 2.000 2.000 peak 753 spectrum 1 weight 0.11000E+01 volume 0.92941E-03 ppm1 8.207 ppm2 1.841 CV 1\par
ASSI \{ 754\}\par
(( segid " " and resid 52 and name HN ))\par
( segid " " and resid 38 and name HD1% )\par
3.600 1.600 1.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 8.207 ppm2 0.874 CV 1\par
ASSI \{ 756\}\par
(( segid " " and resid 52 and name HN ))\par
(( segid " " and resid 51 and name HA ))\par
3.100 1.200 1.200 peak 756 spectrum 1 weight 0.11000E+01 volume 0.19087E-02 ppm1 8.193 ppm2 4.035 CV 1\par
ASSI \{ 759\}\par
(( segid " " and resid 28 and name HN ))\par
(( segid " " and resid 29 and name HN ))\par
3.200 1.300 1.300 peak 759 spectrum 1 weight 0.11000E+01 volume 0.25978E-02 ppm1 8.789 ppm2 8.500 CV 1\par
ASSI \{ 767\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 90 and name HB ))\par
3.200 1.300 1.300 peak 767 spectrum 1 weight 0.11000E+01 volume 0.15415E-02 ppm1 8.476 ppm2 1.998 CV 1\par
ASSI \{ 776\}\par
(( segid " " and resid 89 and name HN ))\par
(( segid " " and resid 88 and name HA ))\par
3.200 1.300 1.300 peak 776 spectrum 1 weight 0.11000E+01 volume 0.10201E-02 ppm1 7.815 ppm2 4.448 CV 1\par
ASSI \{ 777\}\par
(( segid " " and resid 89 and name HN ))\par
(( segid " " and resid 89 and name HA ))\par
3.000 1.100 1.100 peak 777 spectrum 1 weight 0.11000E+01 volume 0.13238E-02 ppm1 7.816 ppm2 4.192 CV 1\par
ASSI \{ 778\}\par
(( segid " " and resid 89 and name HN ))\par
(( segid " " and resid 88 and name HB2 ))\par
3.900 1.900 1.900 peak 778 spectrum 1 weight 0.11000E+01 volume 0.11787E-02 ppm1 7.815 ppm2 3.127 CV 1\par
ASSI \{ 779\}\par
(( segid " " and resid 89 and name HN ))\par
(( segid " " and resid 89 and name HB ))\par
3.100 1.200 1.200 peak 779 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 7.815 ppm2 1.748 CV 1\par
ASSI \{ 781\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 88 and name HN ))\par
3.200 3.200 2.800 peak 781 spectrum 1 weight 0.11000E+01 volume 0.29423E-02 ppm1 7.700 ppm2 7.987 CV 1\par
ASSI \{ 786\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 82 and name HA ))\par
2.700 0.900 0.900 peak 786 spectrum 1 weight 0.11000E+01 volume 0.24074E-02 ppm1 7.698 ppm2 3.918 CV 1\par
ASSI \{ 787\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 83 and name HA ))\par
3.100 1.200 1.200 peak 787 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 7.700 ppm2 3.623 CV 1\par
ASSI \{ 788\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 88 and name HB2 ))\par
3.100 1.200 1.200 peak 788 spectrum 1 weight 0.11000E+01 volume 0.17681E-02 ppm1 7.701 ppm2 3.158 CV 1\par
ASSI \{ 789\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 83 and name HB2 ))\par
3.300 1.300 1.300 peak 789 spectrum 1 weight 0.11000E+01 volume 0.13782E-02 ppm1 7.702 ppm2 1.827 CV 1\par
ASSI \{ 790\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 83 and name HD1 ))\par
3.900 1.900 1.900 peak 790 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 7.701 ppm2 1.619 CV 1\par
ASSI \{ 791\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 84 and name HB ))\par
3.200 1.300 1.300 peak 791 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 7.700 ppm2 1.358 CV 1\par
ASSI \{ 792\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 84 and name HG11 ))\par
3.100 1.200 1.200 peak 792 spectrum 1 weight 0.11000E+01 volume 0.10473E-02 ppm1 7.700 ppm2 0.896 CV 1\par
ASSI \{ 794\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 84 and name HG21 ))\par
3.600 1.600 1.600 peak 794 spectrum 1 weight 0.11000E+01 volume 0.13510E-02 ppm1 7.700 ppm2 0.356 CV 1\par
ASSI \{ 795\}\par
(( segid " " and resid 84 and name HN ))\par
(( segid " " and resid 84 and name HD11 ))\par
3.800 1.800 1.800 peak 795 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 7.700 ppm2 -0.138 CV 1\par
ASSI \{ 797\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 41 and name HB1 ))\par
3.200 3.200 2.800 peak 797 spectrum 1 weight 0.11000E+01 volume 0.28471E-02 ppm1 8.637 ppm2 1.626 CV 1\par
ASSI \{ 804\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 90 and name HA ))\par
3.500 3.500 2.500 peak 804 spectrum 1 weight 0.11000E+01 volume 0.11062E-02 ppm1 8.535 ppm2 4.326 CV 1\par
ASSI \{ 809\}\par
(( segid " " and resid 29 and name HN ))\par
(( segid " " and resid 35 and name HB2 ))\par
3.500 3.500 2.500 peak 809 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 8.534 ppm2 2.640 CV 1\par
ASSI \{ 817\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 39 and name HN ))\par
3.400 1.500 1.500 peak 817 spectrum 1 weight 0.11000E+01 volume 0.16911E-02 ppm1 8.651 ppm2 8.463 CV 1\par
ASSI \{ 818\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 41 and name HB2 ))\par
3.100 3.100 2.900 peak 818 spectrum 1 weight 0.11000E+01 volume 0.26159E-02 ppm1 8.651 ppm2 1.543 CV 1\par
ASSI \{ 821\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 41 and name HN ))\par
3.000 3.000 3.000 peak 821 spectrum 1 weight 0.11000E+01 volume 0.29197E-02 ppm1 8.646 ppm2 8.042 CV 1\par
ASSI \{ 822\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 41 and name HA ))\par
3.500 1.500 1.500 peak 822 spectrum 1 weight 0.11000E+01 volume 0.13238E-02 ppm1 8.643 ppm2 4.936 CV 1\par
ASSI \{ 824\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 40 and name HA ))\par
3.100 3.100 2.900 peak 824 spectrum 1 weight 0.11000E+01 volume 0.96115E-03 ppm1 8.644 ppm2 4.435 CV 1\par
ASSI \{ 826\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 24 and name HB1 ))\par
3.300 1.400 1.400 peak 826 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 8.644 ppm2 2.327 CV 1\par
ASSI \{ 827\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 39 and name HB ))\par
3.500 1.600 1.600 peak 827 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 8.645 ppm2 1.927 CV 1\par
ASSI \{ 829\}\par
(( segid " " and resid 40 and name HN ))\par
(( segid " " and resid 38 and name HG ))\par
3.000 3.000 3.000 peak 829 spectrum 1 weight 0.11000E+01 volume 0.21127E-02 ppm1 8.643 ppm2 1.117 CV 1\par
ASSI \{ 830\}\par
(( segid " " and resid 40 and name HN ))\par
( segid " " and resid 40 and name HG2% )\par
3.100 1.200 1.200 peak 830 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 8.644 ppm2 0.836 CV 1\par
ASSI \{ 853\}\par
(( segid " " and resid 78 and name HN ))\par
(( segid " " and resid 77 and name HN ))\par
3.600 1.600 1.600 peak 853 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 8.725 ppm2 7.645 CV 1\par
ASSI \{ 855\}\par
(( segid " " and resid 78 and name HN ))\par
(( segid " " and resid 77 and name HA ))\par
3.200 1.300 1.300 peak 855 spectrum 1 weight 0.11000E+01 volume 0.10201E-02 ppm1 8.723 ppm2 4.171 CV 1\par
ASSI \{ 858\}\par
(( segid " " and resid 78 and name HN ))\par
(( segid " " and resid 77 and name HB2 ))\par
3.700 1.700 1.700 peak 858 spectrum 1 weight 0.11000E+01 volume 0.10972E-02 ppm1 8.724 ppm2 2.063 CV 1\par
ASSI \{ 859\}\par
(( segid " " and resid 78 and name HN ))\par
(( segid " " and resid 77 and name HB1 ))\par
3.100 1.200 1.200 peak 859 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 8.723 ppm2 1.851 CV 1\par
ASSI \{ 860\}\par
(( segid " " and resid 78 and name HN ))\par
(( segid " " and resid 78 and name HB2 ))\par
3.700 1.700 1.700 peak 860 spectrum 1 weight 0.11000E+01 volume 0.10382E-02 ppm1 8.724 ppm2 1.607 CV 1\par
ASSI \{ 861\}\par
(( segid " " and resid 78 and name HN ))\par
( segid " " and resid 46 and name HG2% )\par
3.900 1.900 1.900 peak 861 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 8.724 ppm2 0.796 CV 1\par
ASSI \{ 870\}\par
(( segid " " and resid 37 and name HN ))\par
(( segid " " and resid 36 and name HN ))\par
3.300 1.300 1.300 peak 870 spectrum 1 weight 0.11000E+01 volume 0.13692E-02 ppm1 8.368 ppm2 8.919 CV 1\par
ASSI \{ 876\}\par
(( segid " " and resid 37 and name HN ))\par
(( segid " " and resid 37 and name HA ))\par
2.900 1.100 1.100 peak 876 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 8.365 ppm2 5.068 CV 1\par
ASSI \{ 878\}\par
(( segid " " and resid 37 and name HN ))\par
(( segid " " and resid 36 and name HA ))\par
3.300 1.300 1.300 peak 878 spectrum 1 weight 0.11000E+01 volume 0.95210E-03 ppm1 8.367 ppm2 4.714 CV 1\par
ASSI \{ 879\}\par
(( segid " " and resid 37 and name HN ))\par
(( segid " " and resid 38 and name HA ))\par
3.100 3.100 2.900 peak 879 spectrum 1 weight 0.11000E+01 volume 0.17591E-02 ppm1 8.369 ppm2 4.549 CV 1\par
ASSI \{ 881\}\par
(( segid " " and resid 37 and name HN ))\par
(( segid " " and resid 37 and name HB2 ))\par
3.700 1.700 1.700 peak 881 spectrum 1 weight 0.11000E+01 volume 0.85688E-03 ppm1 8.368 ppm2 1.571 CV 1\par
ASSI \{ 904\}\par
(( segid " " and resid 78 and name HN ))\par
(( segid " " and resid 78 and name HA ))\par
3.000 1.100 1.100 peak 904 spectrum 1 weight 0.11000E+01 volume 0.13963E-02 ppm1 8.725 ppm2 4.712 CV 1\par
ASSI \{ 908\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 45 and name HN ))\par
2.900 2.900 3.100 peak 908 spectrum 1 weight 0.11000E+01 volume 0.21263E-02 ppm1 8.502 ppm2 8.117 CV 1\par
ASSI \{ 909\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 48 and name HN ))\par
2.900 1.100 1.100 peak 909 spectrum 1 weight 0.11000E+01 volume 0.13692E-02 ppm1 8.501 ppm2 7.728 CV 1\par
ASSI \{ 911\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 48 and name HA ))\par
3.100 1.200 1.200 peak 911 spectrum 1 weight 0.11000E+01 volume 0.16095E-02 ppm1 8.501 ppm2 4.089 CV 1\par
ASSI \{ 913\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 48 and name HB2 ))\par
2.900 1.100 1.100 peak 913 spectrum 1 weight 0.11000E+01 volume 0.13692E-02 ppm1 8.500 ppm2 3.376 CV 1\par
ASSI \{ 914\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 48 and name HB1 ))\par
3.400 1.400 1.400 peak 914 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 8.502 ppm2 3.224 CV 1\par
ASSI \{ 916\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 40 and name HB ))\par
3.500 1.600 1.600 peak 916 spectrum 1 weight 0.11000E+01 volume 0.12921E-02 ppm1 8.501 ppm2 2.485 CV 1\par
ASSI \{ 917\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 49 and name HB1 ))\par
3.000 1.100 1.100 peak 917 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 8.500 ppm2 1.933 CV 1\par
ASSI \{ 918\}\par
(( segid " " and resid 49 and name HN ))\par
( segid " " and resid 46 and name HG2% )\par
4.100 2.100 1.900 peak 918 spectrum 1 weight 0.11000E+01 volume 0.14417E-02 ppm1 8.501 ppm2 0.804 CV 1\par
ASSI \{ 919\}\par
(( segid " " and resid 49 and name HN ))\par
( segid " " and resid 46 and name HG1% )\par
3.500 1.500 1.500 peak 919 spectrum 1 weight 0.11000E+01 volume 0.20674E-02 ppm1 8.502 ppm2 0.165 CV 1\par
ASSI \{ 920\}\par
(( segid " " and resid 49 and name HN ))\par
(( segid " " and resid 52 and name HN ))\par
3.400 3.400 2.600 peak 920 spectrum 1 weight 0.11000E+01 volume 0.14598E-02 ppm1 8.469 ppm2 8.191 CV 1\par
ASSI \{ 931\}\par
(( segid " " and resid 98 and name HN ))\par
(( segid " " and resid 98 and name HA ))\par
3.100 1.200 1.200 peak 931 spectrum 1 weight 0.11000E+01 volume 0.16321E-02 ppm1 8.203 ppm2 4.035 CV 1\par
ASSI \{ 936\}\par
(( segid " " and resid 98 and name HN ))\par
(( segid " " and resid 99 and name HN ))\par
2.900 1.100 1.100 peak 936 spectrum 1 weight 0.11000E+01 volume 0.21036E-02 ppm1 8.192 ppm2 8.462 CV 1\par
ASSI \{ 946\}\par
(( segid " " and resid 51 and name HN ))\par
(( segid " " and resid 50 and name HA ))\par
2.900 1.100 1.100 peak 946 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 7.447 ppm2 4.551 CV 1\par
ASSI \{ 948\}\par
(( segid " " and resid 51 and name HN ))\par
(( segid " " and resid 51 and name HA ))\par
3.100 1.200 1.200 peak 948 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 7.446 ppm2 4.040 CV 1\par
ASSI \{ 950\}\par
(( segid " " and resid 51 and name HN ))\par
(( segid " " and resid 49 and name HB2 ))\par
2.900 2.900 3.100 peak 950 spectrum 1 weight 0.11000E+01 volume 0.99742E-03 ppm1 7.445 ppm2 1.948 CV 1\par
ASSI \{ 955\}\par
(( segid " " and resid 51 and name HN ))\par
(( segid " " and resid 53 and name HN ))\par
3.000 1.100 1.100 peak 955 spectrum 1 weight 0.11000E+01 volume 0.19223E-02 ppm1 7.442 ppm2 8.661 CV 1\par
ASSI \{ 957\}\par
(( segid " " and resid 51 and name HN ))\par
(( segid " " and resid 49 and name HA ))\par
2.800 2.800 3.200 peak 957 spectrum 1 weight 0.11000E+01 volume 0.20538E-02 ppm1 7.443 ppm2 3.775 CV 1\par
ASSI \{ 959\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 93 and name HN ))\par
3.700 1.700 1.700 peak 959 spectrum 1 weight 0.11000E+01 volume 0.17455E-02 ppm1 9.439 ppm2 9.706 CV 1\par
ASSI \{ 962\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 68 and name HN ))\par
3.400 1.400 1.400 peak 962 spectrum 1 weight 0.11000E+01 volume 0.15823E-02 ppm1 9.443 ppm2 9.050 CV 1\par
ASSI \{ 964\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 73 and name HN ))\par
2.900 1.100 1.100 peak 964 spectrum 1 weight 0.11000E+01 volume 0.24572E-02 ppm1 9.443 ppm2 8.196 CV 1\par
ASSI \{ 966\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 66 and name HA ))\par
3.000 1.100 1.100 peak 966 spectrum 1 weight 0.11000E+01 volume 0.10518E-02 ppm1 9.440 ppm2 5.498 CV 1\par
ASSI \{ 968\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 90 and name HA ))\par
3.300 1.400 1.400 peak 968 spectrum 1 weight 0.11000E+01 volume 0.20311E-02 ppm1 9.441 ppm2 4.274 CV 1\par
ASSI \{ 969\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 67 and name HB2 ))\par
3.100 1.200 1.200 peak 969 spectrum 1 weight 0.11000E+01 volume 0.10881E-02 ppm1 9.441 ppm2 2.974 CV 1\par
ASSI \{ 970\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 67 and name HB1 ))\par
3.500 1.500 1.500 peak 970 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 9.439 ppm2 2.800 CV 1\par
ASSI \{ 972\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 90 and name HG11 ))\par
3.300 1.400 1.400 peak 972 spectrum 1 weight 0.11000E+01 volume 0.12830E-02 ppm1 9.441 ppm2 0.848 CV 1\par
ASSI \{ 974\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 68 and name HA ))\par
3.300 3.300 2.700 peak 974 spectrum 1 weight 0.11000E+01 volume 0.14462E-02 ppm1 9.437 ppm2 5.351 CV 1\par
ASSI \{ 975\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 90 and name HG21 ))\par
4.300 4.300 1.700 peak 975 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 9.439 ppm2 1.102 CV 1\par
ASSI \{ 976\}\par
(( segid " " and resid 67 and name HN ))\par
(( segid " " and resid 92 and name HG21 ))\par
3.600 3.600 2.400 peak 976 spectrum 1 weight 0.11000E+01 volume 0.26522E-02 ppm1 9.436 ppm2 -0.370 CV 1\par
ASSI \{ 980\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 35 and name HA ))\par
3.200 1.300 1.300 peak 980 spectrum 1 weight 0.11000E+01 volume 0.10065E-02 ppm1 8.908 ppm2 5.409 CV 1\par
ASSI \{ 981\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 37 and name HA ))\par
3.400 1.500 1.500 peak 981 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 8.908 ppm2 5.031 CV 1\par
ASSI \{ 982\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 36 and name HA ))\par
3.100 1.200 1.200 peak 982 spectrum 1 weight 0.11000E+01 volume 0.11787E-02 ppm1 8.908 ppm2 4.710 CV 1\par
ASSI \{ 983\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 35 and name HB2 ))\par
3.900 1.900 1.900 peak 983 spectrum 1 weight 0.11000E+01 volume 0.12422E-02 ppm1 8.907 ppm2 2.628 CV 1\par
ASSI \{ 984\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 35 and name HB1 ))\par
3.900 1.900 1.900 peak 984 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 8.908 ppm2 2.523 CV 1\par
ASSI \{ 985\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 37 and name HB2 ))\par
4.000 2.000 2.000 peak 985 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 8.908 ppm2 1.577 CV 1\par
ASSI \{ 986\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 37 and name HB1 ))\par
3.800 3.800 2.200 peak 986 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 8.908 ppm2 1.418 CV 1\par
ASSI \{ 987\}\par
(( segid " " and resid 36 and name HN ))\par
(( segid " " and resid 28 and name HB1 ))\par
3.600 1.600 1.600 peak 987 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 8.908 ppm2 0.993 CV 1\par
ASSI \{ 988\}\par
(( segid " " and resid 36 and name HN ))\par
( segid " " and resid 30 and name HD2% )\par
3.500 1.600 1.600 peak 988 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.908 ppm2 0.733 CV 1\par
ASSI \{ 994\}\par
(( segid " " and resid 25 and name HN ))\par
(( segid " " and resid 24 and name HA ))\par
3.300 1.400 1.400 peak 994 spectrum 1 weight 0.11000E+01 volume 0.81156E-03 ppm1 8.545 ppm2 4.768 CV 1\par
ASSI \{ 1014\}\par
(( segid " " and resid 25 and name HN ))\par
(( segid " " and resid 26 and name HN ))\par
2.900 1.100 1.100 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.24210E-02 ppm1 8.545 ppm2 9.078 CV 1\par
ASSI \{ 1015\}\par
(( segid " " and resid 25 and name HN ))\par
(( segid " " and resid 24 and name HN ))\par
3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.24391E-02 ppm1 8.544 ppm2 8.924 CV 1\par
ASSI \{ 1019\}\par
(( segid " " and resid 25 and name HN ))\par
(( segid " " and resid 25 and name HA ))\par
2.900 1.100 1.100 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.20084E-02 ppm1 8.547 ppm2 4.932 CV 1\par
ASSI \{ 1021\}\par
(( segid " " and resid 25 and name HN ))\par
(( segid " " and resid 24 and name HB2 ))\par
3.600 1.700 1.700 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.20764E-02 ppm1 8.544 ppm2 2.706 CV 1\par
ASSI \{ 1022\}\par
(( segid " " and resid 25 and name HN ))\par
(( segid " " and resid 24 and name HB1 ))\par
3.300 1.400 1.400 peak 1022 spectrum 1 weight 0.11000E+01 volume 0.21263E-02 ppm1 8.544 ppm2 2.341 CV 1\par
ASSI \{ 1039\}\par
(( segid " " and resid 74 and name HN ))\par
(( segid " " and resid 73 and name HA ))\par
3.100 3.100 2.900 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 8.227 ppm2 4.200 CV 1\par
ASSI \{ 1043\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 78 and name HB2 ))\par
3.300 3.300 2.700 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.17772E-02 ppm1 7.645 ppm2 1.634 CV 1\par
ASSI \{ 1049\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 46 and name HB ))\par
3.000 1.100 1.100 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.13465E-02 ppm1 7.651 ppm2 2.315 CV 1\par
ASSI \{ 1050\}\par
(( segid " " and resid 77 and name HN ))\par
( segid " " and resid 46 and name HG1% )\par
3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.20901E-02 ppm1 7.649 ppm2 0.140 CV 1\par
ASSI \{ 1053\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 76 and name HN ))\par
3.100 1.200 1.200 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.10881E-02 ppm1 7.646 ppm2 7.920 CV 1\par
ASSI \{ 1055\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 45 and name HB ))\par
2.700 2.700 3.300 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.29333E-02 ppm1 7.643 ppm2 4.851 CV 1\par
ASSI \{ 1056\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 78 and name HA ))\par
3.200 3.200 2.800 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.19540E-02 ppm1 7.646 ppm2 4.760 CV 1\par
ASSI \{ 1058\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 76 and name HA ))\par
3.200 1.300 1.300 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.646 ppm2 4.334 CV 1\par
ASSI \{ 1059\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 77 and name HA ))\par
3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 7.646 ppm2 4.173 CV 1\par
ASSI \{ 1062\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 77 and name HB2 ))\par
3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 7.646 ppm2 2.068 CV 1\par
ASSI \{ 1063\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 77 and name HB1 ))\par
3.900 1.900 1.900 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.11334E-02 ppm1 7.645 ppm2 1.841 CV 1\par
ASSI \{ 1064\}\par
(( segid " " and resid 77 and name HN ))\par
(( segid " " and resid 77 and name HG2 ))\par
2.800 1.000 1.000 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 7.646 ppm2 1.393 CV 1\par
ASSI \{ 1065\}\par
(( segid " " and resid 77 and name HN ))\par
( segid " " and resid 46 and name HG2% )\par
3.800 1.900 1.900 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.13329E-02 ppm1 7.646 ppm2 0.792 CV 1\par
ASSI \{ 1071\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 45 and name HA ))\par
3.200 3.200 2.800 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.16865E-02 ppm1 8.719 ppm2 5.334 CV 1\par
ASSI \{ 1072\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 49 and name HA ))\par
3.700 3.700 2.300 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.719 ppm2 4.780 CV 1\par
ASSI \{ 1073\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 49 and name HB2 ))\par
3.600 3.600 2.400 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.715 ppm2 3.715 CV 1\par
ASSI \{ 1074\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 47 and name HB2 ))\par
3.200 1.300 1.300 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 8.716 ppm2 2.974 CV 1\par
ASSI \{ 1076\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 46 and name HB ))\par
3.100 1.200 1.200 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.13012E-02 ppm1 8.715 ppm2 2.321 CV 1\par
ASSI \{ 1078\}\par
(( segid " " and resid 47 and name HN ))\par
( segid " " and resid 46 and name HG2% )\par
3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.15052E-02 ppm1 8.715 ppm2 0.797 CV 1\par
ASSI \{ 1079\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 48 and name HN ))\par
3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 8.714 ppm2 7.726 CV 1\par
ASSI \{ 1081\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 45 and name HB ))\par
3.500 1.500 1.500 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.714 ppm2 4.871 CV 1\par
ASSI \{ 1082\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 75 and name HA ))\par
3.000 1.200 1.200 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.714 ppm2 4.278 CV 1\par
ASSI \{ 1083\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 46 and name HA ))\par
2.900 1.000 1.000 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.15958E-02 ppm1 8.714 ppm2 3.242 CV 1\par
ASSI \{ 1084\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 47 and name HB1 ))\par
3.000 1.100 1.100 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.713 ppm2 2.839 CV 1\par
ASSI \{ 1085\}\par
(( segid " " and resid 47 and name HN ))\par
(( segid " " and resid 49 and name HB1 ))\par
3.100 3.100 2.900 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.19268E-02 ppm1 8.712 ppm2 1.934 CV 1\par
ASSI \{ 1086\}\par
(( segid " " and resid 47 and name HN ))\par
( segid " " and resid 46 and name HG1% )\par
3.300 1.300 1.300 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 8.713 ppm2 0.143 CV 1\par
ASSI \{ 1096\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 33 and name HN ))\par
2.700 0.900 0.900 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.18361E-02 ppm1 6.859 ppm2 8.159 CV 1\par
ASSI \{ 1098\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 32 and name HN ))\par
4.000 2.000 2.000 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.96115E-03 ppm1 6.858 ppm2 6.981 CV 1\par
ASSI \{ 1101\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 29 and name HA ))\par
3.200 1.300 1.300 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.18769E-02 ppm1 6.858 ppm2 5.027 CV 1\par
ASSI \{ 1102\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 34 and name HA ))\par
3.200 1.300 1.300 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 6.858 ppm2 4.415 CV 1\par
ASSI \{ 1104\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 33 and name HA1 ))\par
3.700 1.700 1.700 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 6.859 ppm2 3.613 CV 1\par
ASSI \{ 1106\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 30 and name HB2 ))\par
3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 6.859 ppm2 1.898 CV 1\par
ASSI \{ 1108\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 34 and name HG2 ))\par
3.500 1.600 1.600 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 6.858 ppm2 1.275 CV 1\par
ASSI \{ 1110\}\par
(( segid " " and resid 34 and name HN ))\par
( segid " " and resid 30 and name HD2% )\par
3.700 1.700 1.700 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.13601E-02 ppm1 6.859 ppm2 0.742 CV 1\par
OR \{ 1110\}\par
(( segid " " and resid 34 and name HN ))\par
( segid " " and resid 30 and name HD1% )\par
ASSI \{ 1111\}\par
(( segid " " and resid 34 and name HN ))\par
(( segid " " and resid 30 and name HA ))\par
2.900 1.100 1.100 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.25933E-02 ppm1 6.857 ppm2 5.224 CV 1\par
ASSI \{ 1113\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 51 and name HN ))\par
2.900 1.000 1.000 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.14508E-02 ppm1 8.424 ppm2 7.446 CV 1\par
ASSI \{ 1116\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 50 and name HA ))\par
2.900 1.000 1.000 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.426 ppm2 4.553 CV 1\par
ASSI \{ 1117\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 48 and name HA ))\par
3.300 1.300 1.300 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.16956E-02 ppm1 8.427 ppm2 4.086 CV 1\par
ASSI \{ 1118\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 48 and name HB1 ))\par
3.500 1.500 1.500 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.16548E-02 ppm1 8.427 ppm2 3.245 CV 1\par
ASSI \{ 1119\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 47 and name HB2 ))\par
3.500 3.500 2.500 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.427 ppm2 2.947 CV 1\par
ASSI \{ 1120\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 53 and name HB2 ))\par
3.600 1.600 1.600 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.16004E-02 ppm1 8.426 ppm2 2.476 CV 1\par
ASSI \{ 1126\}\par
(( segid " " and resid 50 and name HN ))\par
( segid " " and resid 46 and name HG1% )\par
3.100 1.200 1.200 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.16638E-02 ppm1 8.426 ppm2 0.153 CV 1\par
ASSI \{ 1144\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 69 and name HN ))\par
3.300 3.300 2.700 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.17364E-02 ppm1 9.042 ppm2 8.879 CV 1\par
ASSI \{ 1145\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 73 and name HN ))\par
3.300 1.400 1.400 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 9.041 ppm2 8.219 CV 1\par
ASSI \{ 1146\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 71 and name HN ))\par
3.000 1.200 1.200 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.13329E-02 ppm1 9.043 ppm2 8.044 CV 1\par
ASSI \{ 1149\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 67 and name HA ))\par
3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 9.041 ppm2 5.351 CV 1\par
ASSI \{ 1150\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 70 and name HA2 ))\par
3.600 1.600 1.600 peak 1150 spectrum 1 weight 0.11000E+01 volume 0.14825E-02 ppm1 9.043 ppm2 4.202 CV 1\par
ASSI \{ 1151\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 68 and name HB1 ))\par
3.000 1.100 1.100 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 9.041 ppm2 2.970 CV 1\par
ASSI \{ 1152\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 67 and name HB1 ))\par
3.200 1.300 1.300 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.13283E-02 ppm1 9.040 ppm2 2.801 CV 1\par
ASSI \{ 1153\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 71 and name HB2 ))\par
3.100 1.200 1.200 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 9.041 ppm2 1.996 CV 1\par
ASSI \{ 1156\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 68 and name HB2 ))\par
3.600 1.600 1.600 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 9.039 ppm2 3.244 CV 1\par
ASSI \{ 1158\}\par
(( segid " " and resid 68 and name HN ))\par
(( segid " " and resid 90 and name HG11 ))\par
2.800 1.000 1.000 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.20946E-02 ppm1 9.038 ppm2 0.848 CV 1\par
ASSI \{ 1164\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 53 and name HN ))\par
3.100 1.200 1.200 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.25752E-02 ppm1 8.427 ppm2 8.666 CV 1\par
ASSI \{ 1165\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 47 and name HA ))\par
3.100 1.200 1.200 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.16140E-02 ppm1 8.423 ppm2 3.743 CV 1\par
ASSI \{ 1166\}\par
(( segid " " and resid 50 and name HN ))\par
(( segid " " and resid 49 and name HB1 ))\par
2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 8.428 ppm2 1.938 CV 1\par
ASSI \{ 1186\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 80 and name HN ))\par
3.300 1.400 1.400 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.19540E-02 ppm1 7.406 ppm2 8.909 CV 1\par
ASSI \{ 1189\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 83 and name HN ))\par
2.900 1.100 1.100 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 7.407 ppm2 7.219 CV 1\par
ASSI \{ 1190\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 81 and name HA ))\par
3.200 1.300 1.300 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 7.407 ppm2 4.207 CV 1\par
ASSI \{ 1191\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 82 and name HA ))\par
3.000 1.100 1.100 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 7.408 ppm2 3.917 CV 1\par
ASSI \{ 1192\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 81 and name HG2 ))\par
3.400 1.400 1.400 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.21444E-02 ppm1 7.407 ppm2 2.477 CV 1\par
ASSI \{ 1193\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 81 and name HB1 ))\par
3.100 1.200 1.200 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.13465E-02 ppm1 7.408 ppm2 2.104 CV 1\par
ASSI \{ 1195\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 82 and name HB2 ))\par
3.100 1.200 1.200 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.11380E-02 ppm1 7.408 ppm2 1.578 CV 1\par
ASSI \{ 1196\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 83 and name HG2 ))\par
3.200 1.300 1.300 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.21762E-02 ppm1 7.407 ppm2 1.243 CV 1\par
ASSI \{ 1197\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 82 and name HB1 ))\par
3.600 1.700 1.700 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 7.405 ppm2 1.012 CV 1\par
ASSI \{ 1198\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 82 and name HD21 ))\par
2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.11924E-02 ppm1 7.406 ppm2 0.803 CV 1\par
ASSI \{ 1204\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 83 and name HA ))\par
3.600 1.600 1.600 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.17046E-02 ppm1 7.406 ppm2 3.626 CV 1\par
ASSI \{ 1205\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 81 and name HB2 ))\par
3.900 1.900 1.900 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 7.407 ppm2 2.303 CV 1\par
ASSI \{ 1206\}\par
(( segid " " and resid 82 and name HN ))\par
(( segid " " and resid 82 and name HD11 ))\par
3.100 1.200 1.200 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 7.408 ppm2 0.697 CV 1\par
ASSI \{ 1217\}\par
(( segid " " and resid 31 and name HN ))\par
(( segid " " and resid 92 and name HG21 ))\par
2.800 2.800 3.200 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.28834E-02 ppm1 9.011 ppm2 -0.387 CV 1\par
ASSI \{ 1218\}\par
(( segid " " and resid 31 and name HN ))\par
(( segid " " and resid 30 and name HB1 ))\par
3.200 1.300 1.300 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 9.005 ppm2 1.628 CV 1\par
ASSI \{ 1236\}\par
(( segid " " and resid 31 and name HN ))\par
(( segid " " and resid 32 and name HN ))\par
2.700 0.900 0.900 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.23258E-02 ppm1 9.010 ppm2 6.964 CV 1\par
ASSI \{ 1237\}\par
(( segid " " and resid 31 and name HN ))\par
(( segid " " and resid 30 and name HA ))\par
2.800 1.000 1.000 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.18044E-02 ppm1 9.008 ppm2 5.223 CV 1\par
ASSI \{ 1239\}\par
(( segid " " and resid 31 and name HN ))\par
(( segid " " and resid 31 and name HA ))\par
2.900 1.000 1.000 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.19449E-02 ppm1 9.010 ppm2 4.196 CV 1\par
ASSI \{ 1241\}\par
(( segid " " and resid 31 and name HN ))\par
(( segid " " and resid 30 and name HB2 ))\par
2.900 1.100 1.100 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.24799E-02 ppm1 9.007 ppm2 1.897 CV 1\par
ASSI \{ 1245\}\par
(( segid " " and resid 31 and name HN ))\par
( segid " " and resid 30 and name HD1% )\par
3.300 1.300 1.300 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 9.009 ppm2 0.718 CV 1\par
ASSI \{ 1271\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 76 and name HN ))\par
3.100 1.200 1.200 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.12875E-02 ppm1 8.145 ppm2 7.916 CV 1\par
ASSI \{ 1272\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 47 and name HB1 ))\par
4.200 4.200 1.800 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 8.146 ppm2 2.846 CV 1\par
ASSI \{ 1273\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 46 and name HB ))\par
3.400 1.400 1.400 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.17545E-02 ppm1 8.145 ppm2 2.320 CV 1\par
ASSI \{ 1274\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 76 and name HB1 ))\par
3.800 3.800 2.200 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.29423E-02 ppm1 8.146 ppm2 1.789 CV 1\par
ASSI \{ 1275\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 77 and name HN ))\par
3.400 1.400 1.400 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.21807E-02 ppm1 8.140 ppm2 7.660 CV 1\par
ASSI \{ 1277\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 75 and name HA ))\par
3.100 1.200 1.200 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.143 ppm2 4.275 CV 1\par
ASSI \{ 1279\}\par
(( segid " " and resid 75 and name HN ))\par
(( segid " " and resid 76 and name HG2 ))\par
3.400 3.400 2.600 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.18044E-02 ppm1 8.142 ppm2 1.411 CV 1\par
ASSI \{ 1281\}\par
(( segid " " and resid 75 and name HN ))\par
( segid " " and resid 46 and name HG1% )\par
3.200 1.300 1.300 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.17818E-02 ppm1 8.144 ppm2 0.141 CV 1\par
ASSI \{ 1286\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 45 and name HG21 ))\par
2.700 2.700 3.300 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.18860E-02 ppm1 7.720 ppm2 1.385 CV 1\par
ASSI \{ 1295\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 63 and name HA ))\par
3.400 3.400 2.600 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.74808E-03 ppm1 7.387 ppm2 4.758 CV 1\par
ASSI \{ 1323\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 49 and name HA ))\par
3.900 3.900 2.100 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 7.726 ppm2 4.759 CV 1\par
ASSI \{ 1324\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 48 and name HA ))\par
2.900 1.100 1.100 peak 1324 spectrum 1 weight 0.11000E+01 volume 0.13510E-02 ppm1 7.724 ppm2 4.089 CV 1\par
ASSI \{ 1325\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 47 and name HA ))\par
3.200 1.300 1.300 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 7.723 ppm2 3.722 CV 1\par
ASSI \{ 1326\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 48 and name HB2 ))\par
2.800 1.000 1.000 peak 1326 spectrum 1 weight 0.11000E+01 volume 0.12105E-02 ppm1 7.723 ppm2 3.381 CV 1\par
ASSI \{ 1327\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 47 and name HB2 ))\par
4.000 2.000 2.000 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.722 ppm2 2.969 CV 1\par
ASSI \{ 1328\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 47 and name HB1 ))\par
2.800 1.000 1.000 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 7.725 ppm2 2.838 CV 1\par
ASSI \{ 1330\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 49 and name HB1 ))\par
3.500 1.600 1.600 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 7.722 ppm2 1.910 CV 1\par
ASSI \{ 1333\}\par
(( segid " " and resid 48 and name HN ))\par
(( segid " " and resid 44 and name HA ))\par
3.500 1.600 1.600 peak 1333 spectrum 1 weight 0.11000E+01 volume 0.26023E-02 ppm1 7.719 ppm2 4.465 CV 1\par
ASSI \{ 1365\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 42 and name HN ))\par
3.000 1.100 1.100 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.058 ppm2 8.762 CV 1\par
ASSI \{ 1367\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 41 and name HA ))\par
3.000 1.100 1.100 peak 1367 spectrum 1 weight 0.11000E+01 volume 0.14236E-02 ppm1 8.048 ppm2 4.951 CV 1\par
ASSI \{ 1368\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 40 and name HA ))\par
3.000 1.100 1.100 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.047 ppm2 4.466 CV 1\par
ASSI \{ 1369\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 44 and name HB2 ))\par
2.800 2.800 3.200 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 8.051 ppm2 2.974 CV 1\par
ASSI \{ 1370\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 40 and name HB ))\par
3.200 1.300 1.300 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 8.048 ppm2 2.461 CV 1\par
ASSI \{ 1371\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 41 and name HB2 ))\par
3.200 1.300 1.300 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.11380E-02 ppm1 8.048 ppm2 1.576 CV 1\par
OR \{ 1371\}\par
(( segid " " and resid 41 and name HN ))\par
(( segid " " and resid 41 and name HB1 ))\par
ASSI \{ 1372\}\par
(( segid " " and resid 41 and name HN ))\par
( segid " " and resid 40 and name HG2% )\par
3.700 1.700 1.700 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 8.048 ppm2 0.817 CV 1\par
ASSI \{ 1383\}\par
(( segid " " and resid 56 and name HN ))\par
(( segid " " and resid 57 and name HN ))\par
3.100 1.200 1.200 peak 1383 spectrum 1 weight 0.11000E+01 volume 0.10972E-02 ppm1 7.594 ppm2 8.387 CV 1\par
ASSI \{ 1388\}\par
(( segid " " and resid 56 and name HN ))\par
(( segid " " and resid 57 and name HA ))\par
3.500 3.500 2.500 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.17953E-02 ppm1 7.593 ppm2 4.596 CV 1\par
ASSI \{ 1389\}\par
(( segid " " and resid 56 and name HN ))\par
(( segid " " and resid 56 and name HA ))\par
3.300 1.400 1.400 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 7.594 ppm2 4.289 CV 1\par
ASSI \{ 1390\}\par
(( segid " " and resid 56 and name HN ))\par
(( segid " " and resid 54 and name HA ))\par
3.300 3.300 2.700 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 7.594 ppm2 3.833 CV 1\par
ASSI \{ 1391\}\par
(( segid " " and resid 56 and name HN ))\par
(( segid " " and resid 57 and name HG2 ))\par
4.100 2.100 1.900 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.16729E-02 ppm1 7.593 ppm2 2.258 CV 1\par
ASSI \{ 1394\}\par
(( segid " " and resid 56 and name HN ))\par
(( segid " " and resid 38 and name HB2 ))\par
2.700 2.700 3.300 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.14735E-02 ppm1 7.593 ppm2 1.798 CV 1\par
ASSI \{ 1395\}\par
(( segid " " and resid 56 and name HN ))\par
( segid " " and resid 56 and name HB% )\par
3.300 1.400 1.400 peak 1395 spectrum 1 weight 0.11000E+01 volume 0.92036E-03 ppm1 7.593 ppm2 1.522 CV 1\par
ASSI \{ 1400\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 63 and name HN ))\par
3.200 1.300 1.300 peak 1400 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 7.406 ppm2 7.775 CV 1\par
ASSI \{ 1403\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 64 and name HA ))\par
3.200 1.300 1.300 peak 1403 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 7.407 ppm2 4.861 CV 1\par
ASSI \{ 1405\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 63 and name HB1 ))\par
3.500 1.600 1.600 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 7.409 ppm2 3.931 CV 1\par
ASSI \{ 1408\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 64 and name HB2 ))\par
3.200 1.300 1.300 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 7.410 ppm2 2.111 CV 1\par
ASSI \{ 1409\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 64 and name HB1 ))\par
3.700 1.700 1.700 peak 1409 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 7.408 ppm2 1.750 CV 1\par
ASSI \{ 1417\}\par
(( segid " " and resid 87 and name HN ))\par
(( segid " " and resid 87 and name HA ))\par
3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.10745E-02 ppm1 8.700 ppm2 4.495 CV 1\par
ASSI \{ 1419\}\par
(( segid " " and resid 87 and name HN ))\par
(( segid " " and resid 88 and name HB2 ))\par
3.500 1.600 1.600 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.16050E-02 ppm1 8.701 ppm2 3.127 CV 1\par
ASSI \{ 1420\}\par
(( segid " " and resid 87 and name HN ))\par
(( segid " " and resid 87 and name HB2 ))\par
3.100 1.200 1.200 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 8.700 ppm2 2.834 CV 1\par
ASSI \{ 1431\}\par
(( segid " " and resid 64 and name HN ))\par
(( segid " " and resid 63 and name HB2 ))\par
3.500 1.500 1.500 peak 1431 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 7.406 ppm2 4.231 CV 1\par
ASSI \{ 1436\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 57 and name HN ))\par
4.100 2.100 1.900 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.12740E-02 ppm1 6.374 ppm2 8.386 CV 1\par
ASSI \{ 1437\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 58 and name HN ))\par
2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.12921E-02 ppm1 6.375 ppm2 8.231 CV 1\par
ASSI \{ 1442\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 57 and name HA ))\par
2.600 2.600 3.400 peak 1442 spectrum 1 weight 0.11000E+01 volume 0.18860E-02 ppm1 6.376 ppm2 4.597 CV 1\par
ASSI \{ 1444\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 59 and name HA ))\par
3.100 1.200 1.200 peak 1444 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 6.375 ppm2 4.213 CV 1\par
ASSI \{ 1445\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 58 and name HA1 ))\par
3.400 1.400 1.400 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 6.374 ppm2 3.713 CV 1\par
ASSI \{ 1446\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 60 and name HA ))\par
3.100 3.100 2.900 peak 1446 spectrum 1 weight 0.11000E+01 volume 0.18089E-02 ppm1 6.370 ppm2 3.530 CV 1\par
ASSI \{ 1448\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 57 and name HG1 ))\par
3.300 1.300 1.300 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 6.376 ppm2 2.274 CV 1\par
ASSI \{ 1449\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 94 and name HB ))\par
3.400 3.400 2.600 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.20719E-02 ppm1 6.375 ppm2 2.009 CV 1\par
ASSI \{ 1450\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 59 and name HB ))\par
3.000 3.000 3.000 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.11380E-02 ppm1 6.376 ppm2 1.757 CV 1\par
ASSI \{ 1451\}\par
(( segid " " and resid 59 and name HN ))\par
(( segid " " and resid 57 and name HB1 ))\par
4.100 2.100 1.900 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 6.374 ppm2 1.607 CV 1\par
ASSI \{ 1452\}\par
(( segid " " and resid 59 and name HN ))\par
( segid " " and resid 59 and name HG2% )\par
3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 6.375 ppm2 0.900 CV 1\par
ASSI \{ 1475\}\par
(( segid " " and resid 42 and name HN ))\par
(( segid " " and resid 79 and name HN ))\par
3.200 1.300 1.300 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.12740E-02 ppm1 8.759 ppm2 8.921 CV 1\par
ASSI \{ 1479\}\par
(( segid " " and resid 42 and name HN ))\par
(( segid " " and resid 43 and name HN ))\par
3.200 1.300 1.300 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 8.761 ppm2 6.737 CV 1\par
ASSI \{ 1480\}\par
(( segid " " and resid 42 and name HN ))\par
(( segid " " and resid 41 and name HA ))\par
3.100 1.200 1.200 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.11017E-02 ppm1 8.760 ppm2 4.955 CV 1\par
ASSI \{ 1481\}\par
(( segid " " and resid 42 and name HN ))\par
(( segid " " and resid 24 and name HA ))\par
3.600 3.600 2.400 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 8.763 ppm2 4.757 CV 1\par
ASSI \{ 1484\}\par
(( segid " " and resid 42 and name HN ))\par
(( segid " " and resid 42 and name HA ))\par
3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 8.760 ppm2 3.606 CV 1\par
ASSI \{ 1495\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 80 and name HN ))\par
2.900 1.100 1.100 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 7.397 ppm2 8.905 CV 1\par
ASSI \{ 1498\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 81 and name HA ))\par
3.200 1.300 1.300 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 7.398 ppm2 4.207 CV 1\par
ASSI \{ 1499\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 80 and name HA ))\par
3.200 1.300 1.300 peak 1499 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 7.395 ppm2 4.016 CV 1\par
ASSI \{ 1501\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 81 and name HG2 ))\par
4.100 2.100 1.900 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 7.398 ppm2 2.474 CV 1\par
ASSI \{ 1502\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 81 and name HB2 ))\par
3.100 1.200 1.200 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 7.396 ppm2 2.304 CV 1\par
ASSI \{ 1503\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 81 and name HB1 ))\par
3.300 1.400 1.400 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 7.398 ppm2 2.114 CV 1\par
ASSI \{ 1505\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 78 and name HB2 ))\par
2.800 2.800 3.200 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 7.399 ppm2 1.594 CV 1\par
ASSI \{ 1506\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 82 and name HB1 ))\par
3.800 1.800 1.800 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.29423E-02 ppm1 7.396 ppm2 1.045 CV 1\par
ASSI \{ 1507\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 82 and name HD21 ))\par
3.000 1.200 1.200 peak 1507 spectrum 1 weight 0.11000E+01 volume 0.16865E-02 ppm1 7.397 ppm2 0.808 CV 1\par
ASSI \{ 1508\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 82 and name HD11 ))\par
3.500 1.500 1.500 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.19586E-02 ppm1 7.399 ppm2 0.699 CV 1\par
ASSI \{ 1510\}\par
(( segid " " and resid 81 and name HN ))\par
(( segid " " and resid 79 and name HA ))\par
3.100 1.200 1.200 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.18588E-02 ppm1 7.392 ppm2 3.827 CV 1\par
ASSI \{ 1530\}\par
(( segid " " and resid 80 and name HN ))\par
(( segid " " and resid 78 and name HA ))\par
3.500 1.500 1.500 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.16050E-02 ppm1 8.911 ppm2 4.741 CV 1\par
ASSI \{ 1537\}\par
(( segid " " and resid 80 and name HN ))\par
(( segid " " and resid 80 and name HA ))\par
3.200 1.200 1.200 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 8.903 ppm2 4.017 CV 1\par
ASSI \{ 1538\}\par
(( segid " " and resid 80 and name HN ))\par
(( segid " " and resid 79 and name HA ))\par
3.100 1.200 1.200 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.14961E-02 ppm1 8.904 ppm2 3.818 CV 1\par
ASSI \{ 1541\}\par
(( segid " " and resid 80 and name HN ))\par
(( segid " " and resid 81 and name HB2 ))\par
3.900 1.900 1.900 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.10292E-02 ppm1 8.904 ppm2 2.335 CV 1\par
ASSI \{ 1542\}\par
(( segid " " and resid 80 and name HN ))\par
(( segid " " and resid 81 and name HB1 ))\par
4.200 2.200 1.800 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.98836E-03 ppm1 8.904 ppm2 2.144 CV 1\par
ASSI \{ 1543\}\par
(( segid " " and resid 80 and name HN ))\par
(( segid " " and resid 78 and name HB2 ))\par
3.700 1.800 1.800 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 8.905 ppm2 1.609 CV 1\par
ASSI \{ 1551\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 60 and name HA ))\par
2.500 2.500 3.500 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.22986E-02 ppm1 7.762 ppm2 3.566 CV 1\par
ASSI \{ 1552\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 64 and name HG1 ))\par
3.300 1.400 1.400 peak 1552 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 7.762 ppm2 2.257 CV 1\par
ASSI \{ 1553\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 94 and name HB ))\par
4.100 2.100 1.900 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 7.763 ppm2 1.990 CV 1\par
ASSI \{ 1554\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 96 and name HB2 ))\par
3.500 3.500 2.500 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.12287E-02 ppm1 7.764 ppm2 1.897 CV 1\par
ASSI \{ 1562\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 62 and name HN ))\par
3.000 1.100 1.100 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 7.763 ppm2 8.922 CV 1\par
ASSI \{ 1563\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 63 and name HA ))\par
3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.11924E-02 ppm1 7.762 ppm2 4.727 CV 1\par
ASSI \{ 1564\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 63 and name HB1 ))\par
3.700 1.700 1.700 peak 1564 spectrum 1 weight 0.11000E+01 volume 0.10654E-02 ppm1 7.762 ppm2 3.932 CV 1\par
ASSI \{ 1568\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 63 and name HB2 ))\par
2.900 1.100 1.100 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 7.760 ppm2 4.231 CV 1\par
ASSI \{ 1569\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 64 and name HG2 ))\par
3.400 3.400 2.600 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 7.761 ppm2 2.687 CV 1\par
ASSI \{ 1570\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 96 and name HG2 ))\par
3.300 3.300 2.700 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.15052E-02 ppm1 7.759 ppm2 2.355 CV 1\par
ASSI \{ 1571\}\par
(( segid " " and resid 63 and name HN ))\par
(( segid " " and resid 64 and name HB1 ))\par
3.700 1.700 1.700 peak 1571 spectrum 1 weight 0.11000E+01 volume 0.17228E-02 ppm1 7.759 ppm2 1.756 CV 1\par
ASSI \{ 1619\}\par
(( segid " " and resid 76 and name HN ))\par
(( segid " " and resid 76 and name HA ))\par
3.300 1.400 1.400 peak 1619 spectrum 1 weight 0.11000E+01 volume 0.10382E-02 ppm1 7.914 ppm2 4.337 CV 1\par
ASSI \{ 1621\}\par
(( segid " " and resid 76 and name HN ))\par
(( segid " " and resid 76 and name HB2 ))\par
3.000 1.100 1.100 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.98384E-03 ppm1 7.914 ppm2 1.937 CV 1\par
ASSI \{ 1622\}\par
(( segid " " and resid 76 and name HN ))\par
(( segid " " and resid 76 and name HB1 ))\par
4.100 2.100 1.900 peak 1622 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 7.913 ppm2 1.787 CV 1\par
ASSI \{ 1624\}\par
(( segid " " and resid 76 and name HN ))\par
(( segid " " and resid 76 and name HG2 ))\par
3.700 3.700 2.300 peak 1624 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 7.914 ppm2 1.407 CV 1\par
ASSI \{ 1659\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 81 and name HA ))\par
3.000 1.100 1.100 peak 1659 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 7.218 ppm2 4.201 CV 1\par
ASSI \{ 1660\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 82 and name HD21 ))\par
3.300 1.400 1.400 peak 1660 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 7.219 ppm2 0.839 CV 1\par
ASSI \{ 1664\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 82 and name HA ))\par
3.100 1.200 1.200 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 7.213 ppm2 3.917 CV 1\par
ASSI \{ 1665\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 83 and name HA ))\par
3.200 1.200 1.200 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 7.213 ppm2 3.633 CV 1\par
ASSI \{ 1666\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 83 and name HB2 ))\par
2.900 1.000 1.000 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 7.213 ppm2 1.833 CV 1\par
ASSI \{ 1667\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 82 and name HB2 ))\par
3.200 1.300 1.300 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 7.213 ppm2 1.620 CV 1\par
ASSI \{ 1668\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 83 and name HG2 ))\par
3.100 1.200 1.200 peak 1668 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 7.213 ppm2 1.240 CV 1\par
ASSI \{ 1669\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 82 and name HB1 ))\par
3.500 1.500 1.500 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 7.214 ppm2 1.016 CV 1\par
ASSI \{ 1671\}\par
(( segid " " and resid 83 and name HN ))\par
(( segid " " and resid 84 and name HN ))\par
3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.13465E-02 ppm1 7.207 ppm2 7.696 CV 1\par
ASSI \{ 1689\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 58 and name HN ))\par
3.000 1.100 1.100 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 8.384 ppm2 8.231 CV 1\par
ASSI \{ 1692\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 57 and name HA ))\par
3.100 1.200 1.200 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.386 ppm2 4.601 CV 1\par
ASSI \{ 1693\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 56 and name HA ))\par
3.500 1.500 1.500 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.387 ppm2 4.285 CV 1\par
ASSI \{ 1694\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 58 and name HA2 ))\par
3.600 3.600 2.400 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.15233E-02 ppm1 8.386 ppm2 3.716 CV 1\par
ASSI \{ 1695\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 57 and name HG1 ))\par
2.700 0.900 0.900 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 8.385 ppm2 2.271 CV 1\par
ASSI \{ 1698\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 57 and name HB1 ))\par
3.400 1.400 1.400 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.10201E-02 ppm1 8.386 ppm2 1.546 CV 1\par
ASSI \{ 1699\}\par
(( segid " " and resid 57 and name HN ))\par
(( segid " " and resid 59 and name HB ))\par
4.000 4.000 2.000 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 8.387 ppm2 0.938 CV 1\par
ASSI \{ 1858\}\par
(( segid " " and resid 45 and name HN ))\par
(( segid " " and resid 48 and name HB2 ))\par
3.200 3.200 2.800 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 8.090 ppm2 3.388 CV 1\par
ASSI \{ 1859\}\par
(( segid " " and resid 45 and name HN ))\par
(( segid " " and resid 44 and name HB2 ))\par
3.000 3.000 3.000 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 8.089 ppm2 2.989 CV 1\par
ASSI \{ 1861\}\par
(( segid " " and resid 45 and name HN ))\par
(( segid " " and resid 44 and name HA ))\par
3.200 3.200 2.800 peak 1861 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 8.087 ppm2 4.458 CV 1\par
ASSI \{ 1862\}\par
(( segid " " and resid 45 and name HN ))\par
(( segid " " and resid 48 and name HB1 ))\par
3.800 3.800 2.200 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 8.086 ppm2 3.196 CV 1\par
ASSI \{ 1886\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 33 and name HN ))\par
2.600 0.800 0.800 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.20492E-02 ppm1 6.969 ppm2 8.159 CV 1\par
ASSI \{ 1888\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 30 and name HA ))\par
2.900 1.000 1.000 peak 1888 spectrum 1 weight 0.11000E+01 volume 0.24527E-02 ppm1 6.970 ppm2 5.224 CV 1\par
ASSI \{ 1889\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 34 and name HA ))\par
3.900 3.900 2.100 peak 1889 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 6.967 ppm2 4.464 CV 1\par
ASSI \{ 1890\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 32 and name HA ))\par
2.900 1.100 1.100 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.20311E-02 ppm1 6.968 ppm2 4.246 CV 1\par
ASSI \{ 1892\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 33 and name HA1 ))\par
3.800 1.800 1.800 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.28200E-02 ppm1 6.967 ppm2 3.612 CV 1\par
ASSI \{ 1893\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 30 and name HB2 ))\par
3.100 1.200 1.200 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.20946E-02 ppm1 6.969 ppm2 1.900 CV 1\par
ASSI \{ 1894\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 34 and name HB2 ))\par
3.300 1.400 1.400 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.19223E-02 ppm1 6.969 ppm2 1.612 CV 1\par
ASSI \{ 1895\}\par
(( segid " " and resid 32 and name HN ))\par
(( segid " " and resid 34 and name HG2 ))\par
3.700 3.700 2.300 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 6.969 ppm2 1.216 CV 1\par
ASSI \{ 1897\}\par
(( segid " " and resid 32 and name HN ))\par
( segid " " and resid 30 and name HD1% )\par
3.500 1.500 1.500 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.13601E-02 ppm1 6.970 ppm2 0.734 CV 1\par
OR \{ 1897\}\par
(( segid " " and resid 32 and name HN ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 1905\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 31 and name HN ))\par
3.400 1.500 1.500 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 8.163 ppm2 9.003 CV 1\par
ASSI \{ 1910\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 33 and name HA2 ))\par
3.100 1.200 1.200 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 8.162 ppm2 4.411 CV 1\par
ASSI \{ 1914\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 32 and name HA ))\par
3.300 1.400 1.400 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.161 ppm2 4.238 CV 1\par
ASSI \{ 1915\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 33 and name HA1 ))\par
3.400 1.400 1.400 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.11017E-02 ppm1 8.161 ppm2 3.611 CV 1\par
ASSI \{ 1916\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 34 and name HB2 ))\par
3.700 1.700 1.700 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 8.161 ppm2 1.597 CV 1\par
ASSI \{ 1918\}\par
(( segid " " and resid 33 and name HN ))\par
( segid " " and resid 30 and name HD1% )\par
3.500 3.500 2.500 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.17818E-02 ppm1 8.165 ppm2 0.738 CV 1\par
ASSI \{ 1919\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 30 and name HB2 ))\par
3.200 1.300 1.300 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.15958E-02 ppm1 8.156 ppm2 1.898 CV 1\par
ASSI \{ 1920\}\par
(( segid " " and resid 33 and name HN ))\par
(( segid " " and resid 34 and name HG2 ))\par
3.700 3.700 2.300 peak 1920 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.160 ppm2 1.221 CV 1\par
ASSI \{ 1926\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 56 and name HN ))\par
3.100 1.200 1.200 peak 1926 spectrum 1 weight 0.11000E+01 volume 0.16412E-02 ppm1 8.229 ppm2 7.590 CV 1\par
ASSI \{ 1928\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 56 and name HA ))\par
2.800 2.800 3.200 peak 1928 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 8.230 ppm2 4.341 CV 1\par
ASSI \{ 1929\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 58 and name HA2 ))\par
3.100 1.200 1.200 peak 1929 spectrum 1 weight 0.11000E+01 volume 0.10881E-02 ppm1 8.230 ppm2 4.189 CV 1\par
ASSI \{ 1930\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 58 and name HA1 ))\par
3.400 1.400 1.400 peak 1930 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 8.230 ppm2 3.713 CV 1\par
ASSI \{ 1931\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 60 and name HA ))\par
3.100 3.100 2.900 peak 1931 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.228 ppm2 3.581 CV 1\par
ASSI \{ 1932\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 57 and name HG2 ))\par
3.700 1.700 1.700 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.16140E-02 ppm1 8.228 ppm2 2.270 CV 1\par
ASSI \{ 1933\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 57 and name HB2 ))\par
3.100 1.200 1.200 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 8.229 ppm2 1.560 CV 1\par
ASSI \{ 1934\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 57 and name HA ))\par
3.200 1.300 1.300 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.14598E-02 ppm1 8.233 ppm2 4.600 CV 1\par
ASSI \{ 1935\}\par
(( segid " " and resid 58 and name HN ))\par
(( segid " " and resid 59 and name HB ))\par
4.100 4.100 1.900 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.14870E-02 ppm1 8.231 ppm2 0.909 CV 1\par
ASSI \{ 1948\}\par
(( segid " " and resid 43 and name HN ))\par
(( segid " " and resid 41 and name HA ))\par
3.300 1.300 1.300 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 6.733 ppm2 4.935 CV 1\par
ASSI \{ 1951\}\par
(( segid " " and resid 43 and name HN ))\par
(( segid " " and resid 43 and name HA ))\par
3.200 1.300 1.300 peak 1951 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 6.732 ppm2 4.182 CV 1\par
ASSI \{ 1954\}\par
(( segid " " and resid 43 and name HN ))\par
(( segid " " and resid 42 and name HA ))\par
3.200 1.300 1.300 peak 1954 spectrum 1 weight 0.11000E+01 volume 0.14462E-02 ppm1 6.734 ppm2 3.606 CV 1\par
ASSI \{ 1955\}\par
(( segid " " and resid 43 and name HN ))\par
(( segid " " and resid 44 and name HB2 ))\par
3.700 1.700 1.700 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.14190E-02 ppm1 6.734 ppm2 2.988 CV 1\par
ASSI \{ 1958\}\par
(( segid " " and resid 43 and name HN ))\par
(( segid " " and resid 41 and name HB2 ))\par
3.400 3.400 2.600 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 6.732 ppm2 1.585 CV 1\par
ASSI \{ 1967\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 67 and name HB1 ))\par
3.000 1.200 1.200 peak 1967 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.880 ppm2 2.795 CV 1\par
ASSI \{ 1974\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 70 and name HA1 ))\par
3.600 1.600 1.600 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 8.878 ppm2 3.618 CV 1\par
ASSI \{ 1979\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 68 and name HA ))\par
3.000 1.200 1.200 peak 1979 spectrum 1 weight 0.11000E+01 volume 0.16593E-02 ppm1 8.875 ppm2 5.288 CV 1\par
ASSI \{ 1980\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 69 and name HA ))\par
3.200 3.200 2.800 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.877 ppm2 4.760 CV 1\par
ASSI \{ 1981\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 70 and name HA2 ))\par
3.100 1.200 1.200 peak 1981 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.875 ppm2 4.200 CV 1\par
ASSI \{ 1982\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 69 and name HB2 ))\par
3.400 3.400 2.600 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.11017E-02 ppm1 8.876 ppm2 3.798 CV 1\par
ASSI \{ 1983\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 68 and name HB1 ))\par
3.400 1.400 1.400 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.15460E-02 ppm1 8.874 ppm2 2.968 CV 1\par
ASSI \{ 1988\}\par
(( segid " " and resid 62 and name HN ))\par
(( segid " " and resid 64 and name HN ))\par
3.100 3.100 2.900 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.29197E-02 ppm1 8.920 ppm2 7.404 CV 1\par
ASSI \{ 1992\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 71 and name HD2 ))\par
3.500 3.500 2.500 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.18588E-02 ppm1 8.914 ppm2 3.295 CV 1\par
ASSI \{ 1993\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 71 and name HB1 ))\par
4.100 4.100 1.900 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 8.918 ppm2 1.955 CV 1\par
ASSI \{ 1996\}\par
(( segid " " and resid 70 and name HN ))\par
(( segid " " and resid 71 and name HB2 ))\par
3.600 1.600 1.600 peak 1996 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.881 ppm2 1.986 CV 1\par
ASSI \{ 1999\}\par
(( segid " " and resid 30 and name HN ))\par
(( segid " " and resid 92 and name HG21 ))\par
3.200 3.200 2.800 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.34139E-02 ppm1 9.022 ppm2 -0.368 CV 1\par
ASSI \{ 2001\}\par
(( segid " " and resid 91 and name HN ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.200 3.200 2.800 peak 2001 spectrum 1 weight 0.11000E+01 volume 0.29922E-02 ppm1 8.385 ppm2 -0.364 CV 1\par
ASSI \{ 82\}\par
(( segid " " and resid 47 and name HA ))\par
(( segid " " and resid 51 and name HA ))\par
3.000 3.000 3.000 peak 82 spectrum 2 weight 0.11000E+01 volume 0.38022E-02 ppm1 3.704 ppm2 4.034 CV 1\par
ASSI \{ 104\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 44 and name HA ))\par
2.300 2.300 3.700 peak 104 spectrum 2 weight 0.11000E+01 volume 0.54479E-02 ppm1 1.366 ppm2 4.500 CV 1\par
ASSI \{ 105\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 77 and name HB2 ))\par
3.200 3.200 2.800 peak 105 spectrum 2 weight 0.11000E+01 volume 0.32915E-02 ppm1 1.367 ppm2 2.082 CV 1\par
ASSI \{ 106\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 45 and name HA ))\par
3.100 1.200 1.200 peak 106 spectrum 2 weight 0.11000E+01 volume 0.25916E-02 ppm1 1.364 ppm2 5.385 CV 1\par
ASSI \{ 107\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 45 and name HB ))\par
3.100 1.200 1.200 peak 107 spectrum 2 weight 0.11000E+01 volume 0.22794E-02 ppm1 1.364 ppm2 4.841 CV 1\par
ASSI \{ 109\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 44 and name HB2 ))\par
3.100 3.100 2.900 peak 109 spectrum 2 weight 0.11000E+01 volume 0.30456E-02 ppm1 1.366 ppm2 3.004 CV 1\par
ASSI \{ 110\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 49 and name HB1 ))\par
3.000 3.000 3.000 peak 110 spectrum 2 weight 0.11000E+01 volume 0.34333E-02 ppm1 1.365 ppm2 1.922 CV 1\par
ASSI \{ 111\}\par
(( segid " " and resid 45 and name HG21 ))\par
(( segid " " and resid 78 and name HB2 ))\par
3.500 1.600 1.600 peak 111 spectrum 2 weight 0.11000E+01 volume 0.18160E-02 ppm1 1.365 ppm2 1.580 CV 1\par
ASSI \{ 122\}\par
(( segid " " and resid 89 and name HG21 ))\par
(( segid " " and resid 89 and name HA ))\par
2.300 0.600 0.600 peak 122 spectrum 2 weight 0.11000E+01 volume 0.26199E-02 ppm1 0.659 ppm2 4.194 CV 1\par
ASSI \{ 124\}\par
(( segid " " and resid 89 and name HG21 ))\par
(( segid " " and resid 91 and name HG2 ))\par
3.700 3.700 2.300 peak 124 spectrum 2 weight 0.11000E+01 volume 0.50696E-02 ppm1 0.661 ppm2 2.336 CV 1\par
ASSI \{ 125\}\par
(( segid " " and resid 89 and name HG21 ))\par
(( segid " " and resid 89 and name HB ))\par
2.800 1.000 1.000 peak 125 spectrum 2 weight 0.11000E+01 volume 0.21943E-02 ppm1 0.659 ppm2 1.756 CV 1\par
ASSI \{ 129\}\par
(( segid " " and resid 89 and name HG21 ))\par
( segid " " and resid 28 and name HD1% )\par
3.000 3.000 3.000 peak 129 spectrum 2 weight 0.11000E+01 volume 0.37739E-02 ppm1 0.660 ppm2 0.241 CV 1\par
ASSI \{ 158\}\par
( segid " " and resid 40 and name HG2% )\par
(( segid " " and resid 79 and name HA ))\par
2.800 2.800 3.200 peak 158 spectrum 2 weight 0.11000E+01 volume 0.43035E-02 ppm1 0.832 ppm2 3.805 CV 1\par
ASSI \{ 161\}\par
( segid " " and resid 40 and name HG2% )\par
(( segid " " and resid 40 and name HB ))\par
2.700 0.900 0.900 peak 161 spectrum 2 weight 0.11000E+01 volume 0.24308E-02 ppm1 0.832 ppm2 2.494 CV 1\par
ASSI \{ 162\}\par
( segid " " and resid 40 and name HG2% )\par
(( segid " " and resid 38 and name HG ))\par
3.000 1.100 1.100 peak 162 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 0.832 ppm2 1.496 CV 1\par
ASSI \{ 163\}\par
( segid " " and resid 40 and name HG2% )\par
( segid " " and resid 40 and name HG1% )\par
2.800 1.000 1.000 peak 163 spectrum 2 weight 0.11000E+01 volume 0.22889E-02 ppm1 0.831 ppm2 0.207 CV 1\par
ASSI \{ 182\}\par
(( segid " " and resid 89 and name HA ))\par
(( segid " " and resid 27 and name HB2 ))\par
3.000 1.100 1.100 peak 182 spectrum 2 weight 0.11000E+01 volume 0.23551E-02 ppm1 4.191 ppm2 1.855 CV 1\par
ASSI \{ 183\}\par
(( segid " " and resid 89 and name HA ))\par
(( segid " " and resid 90 and name HG21 ))\par
3.100 1.200 1.200 peak 183 spectrum 2 weight 0.11000E+01 volume 0.41711E-02 ppm1 4.189 ppm2 1.163 CV 1\par
ASSI \{ 252\}\par
(( segid " " and resid 92 and name HA ))\par
(( segid " " and resid 93 and name HA ))\par
3.000 3.000 3.000 peak 252 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 4.706 ppm2 4.193 CV 1\par
ASSI \{ 269\}\par
(( segid " " and resid 89 and name HA ))\par
(( segid " " and resid 88 and name HA ))\par
2.900 2.900 3.100 peak 269 spectrum 2 weight 0.11000E+01 volume 0.32442E-02 ppm1 4.194 ppm2 4.483 CV 1\par
ASSI \{ 375\}\par
( segid " " and resid 40 and name HG2% )\par
(( segid " " and resid 39 and name HA ))\par
3.400 1.400 1.400 peak 375 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 0.846 ppm2 4.442 CV 1\par
ASSI \{ 377\}\par
( segid " " and resid 40 and name HG2% )\par
(( segid " " and resid 49 and name HB1 ))\par
3.700 3.700 2.300 peak 377 spectrum 2 weight 0.11000E+01 volume 0.17687E-02 ppm1 0.846 ppm2 1.935 CV 1\par
ASSI \{ 430\}\par
(( segid " " and resid 95 and name HA ))\par
(( segid " " and resid 96 and name HA ))\par
3.100 3.100 2.900 peak 430 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 4.543 ppm2 4.504 CV 1\par
ASSI \{ 496\}\par
(( segid " " and resid 94 and name HA ))\par
(( segid " " and resid 94 and name HB ))\par
2.400 0.700 0.700 peak 496 spectrum 2 weight 0.11000E+01 volume 0.29983E-02 ppm1 4.869 ppm2 2.008 CV 1\par
ASSI \{ 497\}\par
(( segid " " and resid 94 and name HA ))\par
(( segid " " and resid 94 and name HG21 ))\par
2.900 1.000 1.000 peak 497 spectrum 2 weight 0.11000E+01 volume 0.23362E-02 ppm1 4.868 ppm2 0.949 CV 1\par
OR \{ 497\}\par
(( segid " " and resid 94 and name HA ))\par
(( segid " " and resid 94 and name HG11 ))\par
ASSI \{ 499\}\par
(( segid " " and resid 92 and name HA ))\par
(( segid " " and resid 66 and name HA ))\par
2.600 0.900 0.900 peak 499 spectrum 2 weight 0.11000E+01 volume 0.27145E-02 ppm1 4.671 ppm2 5.487 CV 1\par
ASSI \{ 500\}\par
(( segid " " and resid 92 and name HA ))\par
(( segid " " and resid 92 and name HB ))\par
2.400 0.700 0.700 peak 500 spectrum 2 weight 0.11000E+01 volume 0.34901E-02 ppm1 4.670 ppm2 1.688 CV 1\par
ASSI \{ 501\}\par
(( segid " " and resid 92 and name HA ))\par
(( segid " " and resid 92 and name HG21 ))\par
2.800 1.000 1.000 peak 501 spectrum 2 weight 0.11000E+01 volume 0.27429E-02 ppm1 4.670 ppm2 0.543 CV 1\par
ASSI \{ 502\}\par
(( segid " " and resid 92 and name HA ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.400 1.400 1.400 peak 502 spectrum 2 weight 0.11000E+01 volume 0.26956E-02 ppm1 4.671 ppm2 -0.383 CV 1\par
ASSI \{ 504\}\par
(( segid " " and resid 93 and name HA ))\par
(( segid " " and resid 93 and name HD11 ))\par
3.300 1.400 1.400 peak 504 spectrum 2 weight 0.11000E+01 volume 0.28469E-02 ppm1 4.189 ppm2 0.732 CV 1\par
ASSI \{ 505\}\par
(( segid " " and resid 93 and name HA ))\par
(( segid " " and resid 93 and name HB ))\par
2.500 0.800 0.800 peak 505 spectrum 2 weight 0.11000E+01 volume 0.33860E-02 ppm1 4.184 ppm2 2.128 CV 1\par
ASSI \{ 506\}\par
(( segid " " and resid 93 and name HA ))\par
(( segid " " and resid 93 and name HG11 ))\par
2.900 1.000 1.000 peak 506 spectrum 2 weight 0.11000E+01 volume 0.30644E-02 ppm1 4.183 ppm2 1.613 CV 1\par
ASSI \{ 507\}\par
(( segid " " and resid 93 and name HA ))\par
(( segid " " and resid 93 and name HG12 ))\par
2.900 1.000 1.000 peak 507 spectrum 2 weight 0.11000E+01 volume 0.32915E-02 ppm1 4.185 ppm2 1.373 CV 1\par
ASSI \{ 624\}\par
(( segid " " and resid 45 and name HA ))\par
(( segid " " and resid 45 and name HB ))\par
2.600 0.800 0.800 peak 624 spectrum 2 weight 0.11000E+01 volume 0.25254E-02 ppm1 5.389 ppm2 4.834 CV 1\par
ASSI \{ 625\}\par
(( segid " " and resid 45 and name HA ))\par
(( segid " " and resid 78 and name HA ))\par
2.700 0.900 0.900 peak 625 spectrum 2 weight 0.11000E+01 volume 0.24780E-02 ppm1 5.390 ppm2 4.670 CV 1\par
ASSI \{ 626\}\par
(( segid " " and resid 45 and name HA ))\par
(( segid " " and resid 78 and name HB2 ))\par
2.600 0.800 0.800 peak 626 spectrum 2 weight 0.11000E+01 volume 0.41616E-02 ppm1 5.389 ppm2 1.621 CV 1\par
ASSI \{ 633\}\par
(( segid " " and resid 74 and name HA ))\par
(( segid " " and resid 76 and name HB2 ))\par
3.200 3.200 2.800 peak 633 spectrum 2 weight 0.11000E+01 volume 0.24119E-02 ppm1 4.024 ppm2 1.950 CV 1\par
ASSI \{ 672\}\par
(( segid " " and resid 92 and name HG21 ))\par
(( segid " " and resid 66 and name HA ))\par
3.000 3.000 3.000 peak 672 spectrum 2 weight 0.11000E+01 volume 0.41427E-02 ppm1 0.542 ppm2 5.491 CV 1\par
ASSI \{ 673\}\par
(( segid " " and resid 92 and name HG21 ))\par
(( segid " " and resid 30 and name HA ))\par
2.700 2.700 3.300 peak 673 spectrum 2 weight 0.11000E+01 volume 0.36320E-02 ppm1 0.542 ppm2 5.233 CV 1\par
ASSI \{ 682\}\par
(( segid " " and resid 92 and name HG21 ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.200 1.200 1.200 peak 682 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 0.542 ppm2 -0.382 CV 1\par
ASSI \{ 697\}\par
(( segid " " and resid 59 and name HA ))\par
(( segid " " and resid 60 and name HA ))\par
2.800 2.800 3.200 peak 697 spectrum 2 weight 0.11000E+01 volume 0.57507E-02 ppm1 4.223 ppm2 3.572 CV 1\par
ASSI \{ 700\}\par
(( segid " " and resid 52 and name HA ))\par
( segid " " and resid 56 and name HB% )\par
3.000 3.000 3.000 peak 700 spectrum 2 weight 0.11000E+01 volume 0.27996E-02 ppm1 4.219 ppm2 1.484 CV 1\par
ASSI \{ 725\}\par
( segid " " and resid 56 and name HB% )\par
(( segid " " and resid 57 and name HA ))\par
3.000 1.100 1.100 peak 725 spectrum 2 weight 0.11000E+01 volume 0.37833E-02 ppm1 1.536 ppm2 4.582 CV 1\par
ASSI \{ 726\}\par
( segid " " and resid 56 and name HB% )\par
(( segid " " and resid 56 and name HA ))\par
2.900 1.000 1.000 peak 726 spectrum 2 weight 0.11000E+01 volume 0.22227E-02 ppm1 1.535 ppm2 4.288 CV 1\par
ASSI \{ 731\}\par
( segid " " and resid 56 and name HB% )\par
( segid " " and resid 53 and name HD1% )\par
3.300 1.400 1.400 peak 731 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 1.535 ppm2 0.873 CV 1\par
ASSI \{ 734\}\par
( segid " " and resid 46 and name HG1% )\par
(( segid " " and resid 75 and name HA ))\par
2.800 1.000 1.000 peak 734 spectrum 2 weight 0.11000E+01 volume 0.29415E-02 ppm1 0.143 ppm2 4.252 CV 1\par
ASSI \{ 735\}\par
( segid " " and resid 46 and name HG1% )\par
(( segid " " and resid 46 and name HA ))\par
2.600 0.900 0.900 peak 735 spectrum 2 weight 0.11000E+01 volume 0.28280E-02 ppm1 0.143 ppm2 3.246 CV 1\par
ASSI \{ 737\}\par
( segid " " and resid 46 and name HG1% )\par
(( segid " " and resid 46 and name HB ))\par
2.700 0.900 0.900 peak 737 spectrum 2 weight 0.11000E+01 volume 0.25254E-02 ppm1 0.143 ppm2 2.321 CV 1\par
ASSI \{ 738\}\par
( segid " " and resid 46 and name HG1% )\par
(( segid " " and resid 77 and name HB2 ))\par
3.600 1.600 1.600 peak 738 spectrum 2 weight 0.11000E+01 volume 0.25537E-02 ppm1 0.143 ppm2 2.045 CV 1\par
ASSI \{ 739\}\par
( segid " " and resid 46 and name HG1% )\par
(( segid " " and resid 49 and name HB1 ))\par
3.200 1.300 1.300 peak 739 spectrum 2 weight 0.11000E+01 volume 0.28658E-02 ppm1 0.143 ppm2 1.899 CV 1\par
ASSI \{ 740\}\par
( segid " " and resid 46 and name HG1% )\par
(( segid " " and resid 77 and name HG2 ))\par
3.000 1.100 1.100 peak 740 spectrum 2 weight 0.11000E+01 volume 0.30739E-02 ppm1 0.143 ppm2 1.404 CV 1\par
ASSI \{ 742\}\par
( segid " " and resid 46 and name HG1% )\par
( segid " " and resid 46 and name HG2% )\par
2.800 1.000 1.000 peak 742 spectrum 2 weight 0.11000E+01 volume 0.23078E-02 ppm1 0.142 ppm2 0.794 CV 1\par
ASSI \{ 744\}\par
(( segid " " and resid 50 and name HA ))\par
(( segid " " and resid 53 and name HB2 ))\par
2.100 0.500 0.500 peak 744 spectrum 2 weight 0.11000E+01 volume 0.35847E-02 ppm1 4.565 ppm2 2.466 CV 1\par
ASSI \{ 746\}\par
(( segid " " and resid 50 and name HA ))\par
(( segid " " and resid 53 and name HB1 ))\par
2.700 0.900 0.900 peak 746 spectrum 2 weight 0.11000E+01 volume 0.38873E-02 ppm1 4.561 ppm2 1.671 CV 1\par
ASSI \{ 749\}\par
(( segid " " and resid 50 and name HA ))\par
(( segid " " and resid 53 and name HG ))\par
3.100 1.200 1.200 peak 749 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 4.563 ppm2 0.929 CV 1\par
OR \{ 749\}\par
(( segid " " and resid 50 and name HA ))\par
( segid " " and resid 53 and name HD1% )\par
ASSI \{ 774\}\par
(( segid " " and resid 92 and name HG11 ))\par
(( segid " " and resid 30 and name HA ))\par
3.200 1.300 1.300 peak 774 spectrum 2 weight 0.11000E+01 volume 0.35752E-02 ppm1 -0.384 ppm2 5.258 CV 1\par
ASSI \{ 778\}\par
(( segid " " and resid 92 and name HG11 ))\par
( segid " " and resid 53 and name HD1% )\par
2.800 1.000 1.000 peak 778 spectrum 2 weight 0.11000E+01 volume 0.22889E-02 ppm1 -0.385 ppm2 0.893 CV 1\par
ASSI \{ 780\}\par
(( segid " " and resid 92 and name HG11 ))\par
( segid " " and resid 28 and name HD1% )\par
2.400 0.700 0.700 peak 780 spectrum 2 weight 0.11000E+01 volume 0.27051E-02 ppm1 -0.383 ppm2 0.263 CV 1\par
ASSI \{ 783\}\par
(( segid " " and resid 92 and name HG11 ))\par
(( segid " " and resid 28 and name HB2 ))\par
3.300 1.300 1.300 peak 783 spectrum 2 weight 0.11000E+01 volume 0.33293E-02 ppm1 -0.387 ppm2 1.363 CV 1\par
ASSI \{ 793\}\par
(( segid " " and resid 84 and name HA ))\par
(( segid " " and resid 88 and name HB2 ))\par
2.600 0.900 0.900 peak 793 spectrum 2 weight 0.11000E+01 volume 0.28375E-02 ppm1 3.582 ppm2 3.156 CV 1\par
ASSI \{ 794\}\par
(( segid " " and resid 84 and name HA ))\par
(( segid " " and resid 83 and name HB2 ))\par
2.700 2.700 3.300 peak 794 spectrum 2 weight 0.11000E+01 volume 0.40197E-02 ppm1 3.582 ppm2 1.787 CV 1\par
ASSI \{ 795\}\par
(( segid " " and resid 84 and name HA ))\par
(( segid " " and resid 84 and name HB ))\par
2.500 0.800 0.800 peak 795 spectrum 2 weight 0.11000E+01 volume 0.51453E-02 ppm1 3.585 ppm2 1.361 CV 1\par
ASSI \{ 855\}\par
(( segid " " and resid 88 and name HA ))\par
(( segid " " and resid 88 and name HB2 ))\par
2.900 1.000 1.000 peak 855 spectrum 2 weight 0.11000E+01 volume 0.24308E-02 ppm1 4.444 ppm2 3.132 CV 1\par
ASSI \{ 858\}\par
(( segid " " and resid 88 and name HA ))\par
(( segid " " and resid 89 and name HB ))\par
3.300 3.300 2.700 peak 858 spectrum 2 weight 0.11000E+01 volume 0.27524E-02 ppm1 4.416 ppm2 1.763 CV 1\par
ASSI \{ 869\}\par
(( segid " " and resid 80 and name HA ))\par
(( segid " " and resid 81 and name HB2 ))\par
3.300 3.300 2.700 peak 869 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 4.003 ppm2 2.314 CV 1\par
ASSI \{ 870\}\par
(( segid " " and resid 80 and name HA ))\par
(( segid " " and resid 81 and name HB1 ))\par
3.600 3.600 2.400 peak 870 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 4.002 ppm2 2.148 CV 1\par
ASSI \{ 902\}\par
(( segid " " and resid 63 and name HA ))\par
(( segid " " and resid 63 and name HB2 ))\par
2.900 1.000 1.000 peak 902 spectrum 2 weight 0.11000E+01 volume 0.26199E-02 ppm1 4.709 ppm2 4.212 CV 1\par
ASSI \{ 910\}\par
(( segid " " and resid 40 and name HA ))\par
( segid " " and resid 40 and name HG2% )\par
3.200 1.300 1.300 peak 910 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 4.489 ppm2 0.838 CV 1\par
ASSI \{ 911\}\par
(( segid " " and resid 40 and name HA ))\par
( segid " " and resid 40 and name HG1% )\par
2.600 0.800 0.800 peak 911 spectrum 2 weight 0.11000E+01 volume 0.33293E-02 ppm1 4.489 ppm2 0.206 CV 1\par
ASSI \{ 963\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 44 and name HB2 ))\par
3.100 1.200 1.200 peak 963 spectrum 2 weight 0.11000E+01 volume 0.43981E-02 ppm1 0.210 ppm2 2.964 CV 1\par
ASSI \{ 964\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 24 and name HB2 ))\par
3.300 1.300 1.300 peak 964 spectrum 2 weight 0.11000E+01 volume 0.31685E-02 ppm1 0.209 ppm2 2.689 CV 1\par
ASSI \{ 965\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 40 and name HB ))\par
2.700 0.900 0.900 peak 965 spectrum 2 weight 0.11000E+01 volume 0.23929E-02 ppm1 0.208 ppm2 2.482 CV 1\par
ASSI \{ 966\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 49 and name HB1 ))\par
3.300 1.400 1.400 peak 966 spectrum 2 weight 0.11000E+01 volume 0.33577E-02 ppm1 0.210 ppm2 1.906 CV 1\par
ASSI \{ 968\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 41 and name HB2 ))\par
3.200 3.200 2.800 peak 968 spectrum 2 weight 0.11000E+01 volume 0.32537E-02 ppm1 0.209 ppm2 1.594 CV 1\par
OR \{ 968\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 41 and name HB1 ))\par
ASSI \{ 970\}\par
( segid " " and resid 40 and name HG1% )\par
(( segid " " and resid 38 and name HB1 ))\par
2.900 1.100 1.100 peak 970 spectrum 2 weight 0.11000E+01 volume 0.29793E-02 ppm1 0.208 ppm2 1.125 CV 1\par
ASSI \{ 978\}\par
(( segid " " and resid 53 and name HA ))\par
( segid " " and resid 53 and name HD1% )\par
3.000 1.100 1.100 peak 978 spectrum 2 weight 0.11000E+01 volume 0.21848E-02 ppm1 4.260 ppm2 0.915 CV 1\par
ASSI \{ 980\}\par
(( segid " " and resid 75 and name HA ))\par
(( segid " " and resid 47 and name HB2 ))\par
2.700 0.900 0.900 peak 980 spectrum 2 weight 0.11000E+01 volume 0.47670E-02 ppm1 4.256 ppm2 2.932 CV 1\par
ASSI \{ 981\}\par
(( segid " " and resid 53 and name HA ))\par
(( segid " " and resid 64 and name HG2 ))\par
3.200 3.200 2.800 peak 981 spectrum 2 weight 0.11000E+01 volume 0.24497E-02 ppm1 4.255 ppm2 2.563 CV 1\par
ASSI \{ 982\}\par
(( segid " " and resid 75 and name HA ))\par
(( segid " " and resid 46 and name HB ))\par
2.600 0.900 0.900 peak 982 spectrum 2 weight 0.11000E+01 volume 0.23835E-02 ppm1 4.255 ppm2 2.327 CV 1\par
ASSI \{ 983\}\par
(( segid " " and resid 53 and name HA ))\par
(( segid " " and resid 57 and name HB1 ))\par
3.300 3.300 2.700 peak 983 spectrum 2 weight 0.11000E+01 volume 0.23929E-02 ppm1 4.255 ppm2 1.600 CV 1\par
ASSI \{ 988\}\par
(( segid " " and resid 69 and name HA ))\par
(( segid " " and resid 69 and name HB2 ))\par
2.800 1.000 1.000 peak 988 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 3.789 ppm2 2.973 CV 1\par
OR \{ 988\}\par
(( segid " " and resid 69 and name HA ))\par
(( segid " " and resid 69 and name HG ))\par
ASSI \{ 1130\}\par
(( segid " " and resid 66 and name HA ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.200 1.200 1.200 peak 1130 spectrum 2 weight 0.11000E+01 volume 0.36036E-02 ppm1 5.490 ppm2 -0.381 CV 1\par
ASSI \{ 1134\}\par
(( segid " " and resid 66 and name HA ))\par
(( segid " " and resid 66 and name HB1 ))\par
2.600 0.800 0.800 peak 1134 spectrum 2 weight 0.11000E+01 volume 0.27807E-02 ppm1 5.488 ppm2 3.045 CV 1\par
ASSI \{ 1146\}\par
(( segid " " and resid 24 and name HA ))\par
(( segid " " and resid 39 and name HA ))\par
3.100 3.100 2.900 peak 1146 spectrum 2 weight 0.11000E+01 volume 0.31685E-02 ppm1 4.777 ppm2 4.431 CV 1\par
ASSI \{ 1176\}\par
(( segid " " and resid 75 and name HA ))\par
(( segid " " and resid 76 and name HA ))\par
3.000 3.000 3.000 peak 1176 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 4.321 ppm2 4.373 CV 1\par
ASSI \{ 1230\}\par
(( segid " " and resid 24 and name HA ))\par
(( segid " " and resid 24 and name HB2 ))\par
2.800 1.000 1.000 peak 1230 spectrum 2 weight 0.11000E+01 volume 0.28375E-02 ppm1 4.770 ppm2 2.693 CV 1\par
ASSI \{ 1231\}\par
(( segid " " and resid 24 and name HA ))\par
(( segid " " and resid 24 and name HB1 ))\par
2.700 0.900 0.900 peak 1231 spectrum 2 weight 0.11000E+01 volume 0.30361E-02 ppm1 4.769 ppm2 2.345 CV 1\par
ASSI \{ 1335\}\par
(( segid " " and resid 68 and name HA ))\par
(( segid " " and resid 90 and name HA ))\par
2.700 2.700 3.300 peak 1335 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 5.326 ppm2 4.256 CV 1\par
ASSI \{ 1337\}\par
(( segid " " and resid 68 and name HA ))\par
(( segid " " and resid 68 and name HB2 ))\par
2.600 0.800 0.800 peak 1337 spectrum 2 weight 0.11000E+01 volume 0.27712E-02 ppm1 5.290 ppm2 3.246 CV 1\par
ASSI \{ 1339\}\par
(( segid " " and resid 68 and name HA ))\par
(( segid " " and resid 90 and name HG21 ))\par
3.000 3.000 3.000 peak 1339 spectrum 2 weight 0.11000E+01 volume 0.39914E-02 ppm1 5.290 ppm2 1.105 CV 1\par
ASSI \{ 1346\}\par
(( segid " " and resid 27 and name HA ))\par
(( segid " " and resid 26 and name HA ))\par
3.100 1.200 1.200 peak 1346 spectrum 2 weight 0.11000E+01 volume 0.27240E-02 ppm1 4.707 ppm2 4.276 CV 1\par
ASSI \{ 1358\}\par
(( segid " " and resid 81 and name HA ))\par
(( segid " " and resid 81 and name HG2 ))\par
3.000 1.200 1.200 peak 1358 spectrum 2 weight 0.11000E+01 volume 0.27524E-02 ppm1 4.214 ppm2 2.475 CV 1\par
ASSI \{ 1360\}\par
(( segid " " and resid 81 and name HA ))\par
(( segid " " and resid 81 and name HB1 ))\par
3.100 1.200 1.200 peak 1360 spectrum 2 weight 0.11000E+01 volume 0.22416E-02 ppm1 4.214 ppm2 2.106 CV 1\par
ASSI \{ 1430\}\par
(( segid " " and resid 27 and name HA ))\par
(( segid " " and resid 37 and name HA ))\par
2.100 0.600 0.600 peak 1430 spectrum 2 weight 0.11000E+01 volume 0.26672E-02 ppm1 4.694 ppm2 5.069 CV 1\par
ASSI \{ 1431\}\par
(( segid " " and resid 27 and name HA ))\par
(( segid " " and resid 37 and name HB1 ))\par
2.700 0.900 0.900 peak 1431 spectrum 2 weight 0.11000E+01 volume 0.23457E-02 ppm1 4.694 ppm2 1.436 CV 1\par
ASSI \{ 1432\}\par
(( segid " " and resid 34 and name HA ))\par
(( segid " " and resid 30 and name HG ))\par
2.800 2.800 3.200 peak 1432 spectrum 2 weight 0.11000E+01 volume 0.47953E-02 ppm1 4.416 ppm2 0.754 CV 1\par
OR \{ 1432\}\par
(( segid " " and resid 34 and name HA ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 1435\}\par
(( segid " " and resid 34 and name HA ))\par
(( segid " " and resid 34 and name HB1 ))\par
2.900 1.100 1.100 peak 1435 spectrum 2 weight 0.11000E+01 volume 0.25821E-02 ppm1 4.414 ppm2 1.285 CV 1\par
OR \{ 1435\}\par
(( segid " " and resid 34 and name HA ))\par
(( segid " " and resid 34 and name HG2 ))\par
ASSI \{ 1436\}\par
(( segid " " and resid 76 and name HA ))\par
(( segid " " and resid 76 and name HB2 ))\par
3.000 1.100 1.100 peak 1436 spectrum 2 weight 0.11000E+01 volume 0.25159E-02 ppm1 4.376 ppm2 1.919 CV 1\par
ASSI \{ 1440\}\par
(( segid " " and resid 76 and name HA ))\par
(( segid " " and resid 76 and name HB1 ))\par
2.900 1.000 1.000 peak 1440 spectrum 2 weight 0.11000E+01 volume 0.22889E-02 ppm1 4.333 ppm2 1.773 CV 1\par
ASSI \{ 1442\}\par
(( segid " " and resid 76 and name HA ))\par
(( segid " " and resid 76 and name HG1 ))\par
3.400 1.400 1.400 peak 1442 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 4.327 ppm2 1.388 CV 1\par
ASSI \{ 1444\}\par
(( segid " " and resid 82 and name HA ))\par
(( segid " " and resid 82 and name HG ))\par
3.100 1.200 1.200 peak 1444 spectrum 2 weight 0.11000E+01 volume 0.32158E-02 ppm1 3.910 ppm2 1.852 CV 1\par
ASSI \{ 1445\}\par
(( segid " " and resid 82 and name HA ))\par
(( segid " " and resid 82 and name HB2 ))\par
2.900 1.000 1.000 peak 1445 spectrum 2 weight 0.11000E+01 volume 0.29605E-02 ppm1 3.911 ppm2 1.587 CV 1\par
ASSI \{ 1447\}\par
(( segid " " and resid 82 and name HA ))\par
(( segid " " and resid 82 and name HD21 ))\par
3.000 1.100 1.100 peak 1447 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 3.912 ppm2 0.810 CV 1\par
ASSI \{ 1466\}\par
(( segid " " and resid 77 and name HA ))\par
(( segid " " and resid 76 and name HA ))\par
3.300 1.300 1.300 peak 1466 spectrum 2 weight 0.11000E+01 volume 0.13431E-02 ppm1 4.181 ppm2 4.317 CV 1\par
ASSI \{ 1484\}\par
(( segid " " and resid 34 and name HA ))\par
(( segid " " and resid 34 and name HE1 ))\par
2.900 2.900 3.100 peak 1484 spectrum 2 weight 0.11000E+01 volume 0.22416E-02 ppm1 4.456 ppm2 2.909 CV 1\par
ASSI \{ 1485\}\par
(( segid " " and resid 44 and name HA ))\par
(( segid " " and resid 48 and name HB2 ))\par
2.200 0.600 0.600 peak 1485 spectrum 2 weight 0.11000E+01 volume 0.43697E-02 ppm1 4.450 ppm2 3.357 CV 1\par
ASSI \{ 1489\}\par
(( segid " " and resid 83 and name HA ))\par
(( segid " " and resid 83 and name HB2 ))\par
2.900 1.000 1.000 peak 1489 spectrum 2 weight 0.11000E+01 volume 0.27429E-02 ppm1 3.628 ppm2 1.815 CV 1\par
ASSI \{ 1490\}\par
(( segid " " and resid 83 and name HA ))\par
(( segid " " and resid 83 and name HD2 ))\par
3.900 1.900 1.900 peak 1490 spectrum 2 weight 0.11000E+01 volume 0.24497E-02 ppm1 3.629 ppm2 1.647 CV 1\par
ASSI \{ 1491\}\par
(( segid " " and resid 83 and name HA ))\par
(( segid " " and resid 83 and name HG2 ))\par
3.100 1.200 1.200 peak 1491 spectrum 2 weight 0.11000E+01 volume 0.26389E-02 ppm1 3.627 ppm2 1.234 CV 1\par
ASSI \{ 1545\}\par
(( segid " " and resid 78 and name HA ))\par
(( segid " " and resid 45 and name HG21 ))\par
3.700 3.700 2.300 peak 1545 spectrum 2 weight 0.11000E+01 volume 0.22510E-02 ppm1 4.674 ppm2 1.388 CV 1\par
ASSI \{ 1554\}\par
(( segid " " and resid 49 and name HA ))\par
(( segid " " and resid 38 and name HG ))\par
3.300 1.300 1.300 peak 1554 spectrum 2 weight 0.11000E+01 volume 0.30172E-02 ppm1 4.232 ppm2 1.525 CV 1\par
ASSI \{ 1558\}\par
(( segid " " and resid 49 and name HA ))\par
( segid " " and resid 46 and name HG2% )\par
3.700 3.700 2.300 peak 1558 spectrum 2 weight 0.11000E+01 volume 0.30644E-02 ppm1 4.231 ppm2 0.804 CV 1\par
ASSI \{ 1638\}\par
(( segid " " and resid 91 and name HA ))\par
(( segid " " and resid 90 and name HA ))\par
3.100 1.200 1.200 peak 1638 spectrum 2 weight 0.11000E+01 volume 0.30361E-02 ppm1 4.666 ppm2 4.308 CV 1\par
ASSI \{ 1641\}\par
(( segid " " and resid 57 and name HA ))\par
(( segid " " and resid 57 and name HB1 ))\par
2.700 0.900 0.900 peak 1641 spectrum 2 weight 0.11000E+01 volume 0.26010E-02 ppm1 4.592 ppm2 1.610 CV 1\par
ASSI \{ 1645\}\par
(( segid " " and resid 87 and name HA ))\par
(( segid " " and resid 88 and name HB2 ))\par
3.100 3.100 2.900 peak 1645 spectrum 2 weight 0.11000E+01 volume 0.41143E-02 ppm1 4.493 ppm2 3.105 CV 1\par
ASSI \{ 1647\}\par
(( segid " " and resid 87 and name HA ))\par
(( segid " " and resid 87 and name HB2 ))\par
3.000 1.100 1.100 peak 1647 spectrum 2 weight 0.11000E+01 volume 0.22984E-02 ppm1 4.488 ppm2 2.832 CV 1\par
ASSI \{ 1697\}\par
(( segid " " and resid 64 and name HA ))\par
(( segid " " and resid 64 and name HB2 ))\par
2.900 1.100 1.100 peak 1697 spectrum 2 weight 0.11000E+01 volume 0.25821E-02 ppm1 4.863 ppm2 2.119 CV 1\par
ASSI \{ 1700\}\par
(( segid " " and resid 91 and name HA ))\par
(( segid " " and resid 29 and name HB2 ))\par
3.100 3.100 2.900 peak 1700 spectrum 2 weight 0.11000E+01 volume 0.20335E-02 ppm1 4.716 ppm2 1.569 CV 1\par
ASSI \{ 1703\}\par
(( segid " " and resid 91 and name HA ))\par
(( segid " " and resid 91 and name HG2 ))\par
2.400 0.700 0.700 peak 1703 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 4.685 ppm2 2.336 CV 1\par
ASSI \{ 1706\}\par
(( segid " " and resid 56 and name HA ))\par
( segid " " and resid 38 and name HD1% )\par
3.100 3.100 2.900 peak 1706 spectrum 2 weight 0.11000E+01 volume 0.27618E-02 ppm1 4.331 ppm2 0.821 CV 1\par
ASSI \{ 1729\}\par
(( segid " " and resid 29 and name HA ))\par
(( segid " " and resid 35 and name HA ))\par
2.700 0.900 0.900 peak 1729 spectrum 2 weight 0.11000E+01 volume 0.25159E-02 ppm1 5.032 ppm2 5.415 CV 1\par
ASSI \{ 1791\}\par
(( segid " " and resid 56 and name HA ))\par
(( segid " " and resid 57 and name HA ))\par
3.000 3.000 3.000 peak 1791 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 4.342 ppm2 4.587 CV 1\par
ASSI \{ 1821\}\par
(( segid " " and resid 30 and name HA ))\par
(( segid " " and resid 30 and name HB2 ))\par
2.700 0.900 0.900 peak 1821 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 5.230 ppm2 1.898 CV 1\par
ASSI \{ 1824\}\par
(( segid " " and resid 30 and name HA ))\par
( segid " " and resid 30 and name HD2% )\par
2.900 1.000 1.000 peak 1824 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 5.230 ppm2 0.714 CV 1\par
ASSI \{ 1855\}\par
(( segid " " and resid 35 and name HA ))\par
( segid " " and resid 30 and name HD2% )\par
2.900 2.900 3.100 peak 1855 spectrum 2 weight 0.11000E+01 volume 0.35941E-02 ppm1 5.418 ppm2 0.722 CV 1\par
ASSI \{ 1858\}\par
(( segid " " and resid 35 and name HA ))\par
(( segid " " and resid 35 and name HB2 ))\par
2.800 0.900 0.900 peak 1858 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 5.416 ppm2 2.618 CV 1\par
ASSI \{ 1859\}\par
(( segid " " and resid 35 and name HA ))\par
(( segid " " and resid 29 and name HB2 ))\par
3.000 1.100 1.100 peak 1859 spectrum 2 weight 0.11000E+01 volume 0.28753E-02 ppm1 5.415 ppm2 1.553 CV 1\par
ASSI \{ 1860\}\par
(( segid " " and resid 35 and name HA ))\par
(( segid " " and resid 28 and name HB2 ))\par
3.000 1.100 1.100 peak 1860 spectrum 2 weight 0.11000E+01 volume 0.30266E-02 ppm1 5.416 ppm2 1.376 CV 1\par
ASSI \{ 1889\}\par
(( segid " " and resid 28 and name HA ))\par
(( segid " " and resid 90 and name HB ))\par
2.600 0.800 0.800 peak 1889 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 5.310 ppm2 2.002 CV 1\par
ASSI \{ 1891\}\par
(( segid " " and resid 28 and name HA ))\par
(( segid " " and resid 28 and name HB1 ))\par
2.600 0.800 0.800 peak 1891 spectrum 2 weight 0.11000E+01 volume 0.25821E-02 ppm1 5.311 ppm2 1.005 CV 1\par
ASSI \{ 1892\}\par
(( segid " " and resid 28 and name HA ))\par
(( segid " " and resid 89 and name HG21 ))\par
2.500 0.800 0.800 peak 1892 spectrum 2 weight 0.11000E+01 volume 0.28091E-02 ppm1 5.311 ppm2 0.654 CV 1\par
ASSI \{ 1893\}\par
(( segid " " and resid 28 and name HA ))\par
( segid " " and resid 28 and name HD1% )\par
2.700 0.900 0.900 peak 1893 spectrum 2 weight 0.11000E+01 volume 0.28186E-02 ppm1 5.310 ppm2 0.261 CV 1\par
ASSI \{ 1894\}\par
(( segid " " and resid 28 and name HA ))\par
(( segid " " and resid 91 and name HA ))\par
2.800 2.800 3.200 peak 1894 spectrum 2 weight 0.11000E+01 volume 0.57412E-02 ppm1 5.273 ppm2 4.647 CV 1\par
ASSI \{ 1903\}\par
(( segid " " and resid 71 and name HA ))\par
(( segid " " and resid 71 and name HG2 ))\par
2.700 0.900 0.900 peak 1903 spectrum 2 weight 0.11000E+01 volume 0.27334E-02 ppm1 5.053 ppm2 1.718 CV 1\par
ASSI \{ 1905\}\par
(( segid " " and resid 41 and name HA ))\par
(( segid " " and resid 44 and name HB2 ))\par
3.100 1.200 1.200 peak 1905 spectrum 2 weight 0.11000E+01 volume 0.29226E-02 ppm1 4.958 ppm2 2.993 CV 1\par
ASSI \{ 1916\}\par
(( segid " " and resid 38 and name HA ))\par
(( segid " " and resid 39 and name HA ))\par
3.200 1.300 1.300 peak 1916 spectrum 2 weight 0.11000E+01 volume 0.29888E-02 ppm1 4.586 ppm2 4.409 CV 1\par
ASSI \{ 1919\}\par
(( segid " " and resid 38 and name HA ))\par
( segid " " and resid 38 and name HD1% )\par
3.000 1.100 1.100 peak 1919 spectrum 2 weight 0.11000E+01 volume 0.23457E-02 ppm1 4.578 ppm2 0.855 CV 1\par
ASSI \{ 1920\}\par
(( segid " " and resid 38 and name HA ))\par
(( segid " " and resid 38 and name HG ))\par
2.700 0.900 0.900 peak 1920 spectrum 2 weight 0.11000E+01 volume 0.29321E-02 ppm1 4.577 ppm2 1.519 CV 1\par
ASSI \{ 2049\}\par
(( segid " " and resid 93 and name HD11 ))\par
(( segid " " and resid 93 and name HG11 ))\par
2.800 1.000 1.000 peak 2049 spectrum 2 weight 0.11000E+01 volume 0.31685E-02 ppm1 0.741 ppm2 1.607 CV 1\par
ASSI \{ 2055\}\par
(( segid " " and resid 93 and name HD11 ))\par
(( segid " " and resid 93 and name HG12 ))\par
2.900 1.000 1.000 peak 2055 spectrum 2 weight 0.11000E+01 volume 0.35847E-02 ppm1 0.724 ppm2 1.372 CV 1\par
ASSI \{ 2242\}\par
(( segid " " and resid 38 and name HB2 ))\par
(( segid " " and resid 38 and name HA ))\par
2.400 0.700 0.700 peak 2242 spectrum 2 weight 0.11000E+01 volume 0.38022E-02 ppm1 1.809 ppm2 4.574 CV 1\par
ASSI \{ 2244\}\par
(( segid " " and resid 38 and name HB2 ))\par
(( segid " " and resid 38 and name HG ))\par
2.800 1.000 1.000 peak 2244 spectrum 2 weight 0.11000E+01 volume 0.31307E-02 ppm1 1.806 ppm2 1.497 CV 1\par
ASSI \{ 2245\}\par
(( segid " " and resid 38 and name HB2 ))\par
(( segid " " and resid 38 and name HB1 ))\par
2.300 0.700 0.700 peak 2245 spectrum 2 weight 0.11000E+01 volume 0.23078E-02 ppm1 1.806 ppm2 1.121 CV 1\par
ASSI \{ 2246\}\par
(( segid " " and resid 38 and name HB2 ))\par
( segid " " and resid 53 and name HD1% )\par
3.100 1.200 1.200 peak 2246 spectrum 2 weight 0.11000E+01 volume 0.23645E-02 ppm1 1.807 ppm2 0.911 CV 1\par
ASSI \{ 2248\}\par
(( segid " " and resid 38 and name HB1 ))\par
(( segid " " and resid 38 and name HA ))\par
2.800 1.000 1.000 peak 2248 spectrum 2 weight 0.11000E+01 volume 0.34523E-02 ppm1 1.122 ppm2 4.577 CV 1\par
ASSI \{ 2250\}\par
(( segid " " and resid 38 and name HB1 ))\par
(( segid " " and resid 38 and name HG ))\par
2.600 0.800 0.800 peak 2250 spectrum 2 weight 0.11000E+01 volume 0.32631E-02 ppm1 1.122 ppm2 1.510 CV 1\par
ASSI \{ 2252\}\par
(( segid " " and resid 38 and name HB1 ))\par
( segid " " and resid 38 and name HD1% )\par
3.300 1.400 1.400 peak 2252 spectrum 2 weight 0.11000E+01 volume 0.25537E-02 ppm1 1.123 ppm2 0.883 CV 1\par
ASSI \{ 2255\}\par
(( segid " " and resid 28 and name HB2 ))\par
(( segid " " and resid 28 and name HB1 ))\par
2.300 0.600 0.600 peak 2255 spectrum 2 weight 0.11000E+01 volume 0.22416E-02 ppm1 1.350 ppm2 1.007 CV 1\par
ASSI \{ 2256\}\par
(( segid " " and resid 28 and name HB2 ))\par
( segid " " and resid 30 and name HD2% )\par
3.100 1.200 1.200 peak 2256 spectrum 2 weight 0.11000E+01 volume 0.26861E-02 ppm1 1.349 ppm2 0.724 CV 1\par
ASSI \{ 2257\}\par
(( segid " " and resid 28 and name HB2 ))\par
(( segid " " and resid 28 and name HG ))\par
2.400 0.700 0.700 peak 2257 spectrum 2 weight 0.11000E+01 volume 0.30928E-02 ppm1 1.350 ppm2 0.624 CV 1\par
ASSI \{ 2258\}\par
(( segid " " and resid 28 and name HB2 ))\par
( segid " " and resid 28 and name HD1% )\par
3.100 1.200 1.200 peak 2258 spectrum 2 weight 0.11000E+01 volume 0.47291E-02 ppm1 1.349 ppm2 0.262 CV 1\par
ASSI \{ 2259\}\par
(( segid " " and resid 28 and name HB2 ))\par
(( segid " " and resid 28 and name HA ))\par
2.800 1.000 1.000 peak 2259 spectrum 2 weight 0.11000E+01 volume 0.36225E-02 ppm1 1.345 ppm2 5.309 CV 1\par
ASSI \{ 2260\}\par
(( segid " " and resid 28 and name HB1 ))\par
( segid " " and resid 30 and name HD2% )\par
2.400 0.800 0.800 peak 2260 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 1.009 ppm2 0.724 CV 1\par
ASSI \{ 2261\}\par
(( segid " " and resid 28 and name HB1 ))\par
(( segid " " and resid 28 and name HG ))\par
2.600 0.800 0.800 peak 2261 spectrum 2 weight 0.11000E+01 volume 0.30172E-02 ppm1 1.008 ppm2 0.616 CV 1\par
ASSI \{ 2262\}\par
(( segid " " and resid 28 and name HB1 ))\par
( segid " " and resid 28 and name HD1% )\par
2.300 0.700 0.700 peak 2262 spectrum 2 weight 0.11000E+01 volume 0.45400E-02 ppm1 1.009 ppm2 0.267 CV 1\par
ASSI \{ 2271\}\par
(( segid " " and resid 58 and name HA2 ))\par
(( segid " " and resid 58 and name HA1 ))\par
2.600 0.800 0.800 peak 2271 spectrum 2 weight 0.11000E+01 volume 0.22605E-02 ppm1 4.175 ppm2 3.746 CV 1\par
ASSI \{ 2292\}\par
(( segid " " and resid 33 and name HA2 ))\par
(( segid " " and resid 33 and name HA1 ))\par
2.600 0.800 0.800 peak 2292 spectrum 2 weight 0.11000E+01 volume 0.20997E-02 ppm1 4.406 ppm2 3.609 CV 1\par
ASSI \{ 2311\}\par
(( segid " " and resid 70 and name HA2 ))\par
(( segid " " and resid 70 and name HA1 ))\par
2.600 0.800 0.800 peak 2311 spectrum 2 weight 0.11000E+01 volume 0.21092E-02 ppm1 4.201 ppm2 3.614 CV 1\par
ASSI \{ 2318\}\par
(( segid " " and resid 67 and name HB2 ))\par
(( segid " " and resid 67 and name HB1 ))\par
2.400 0.700 0.700 peak 2318 spectrum 2 weight 0.11000E+01 volume 0.24213E-02 ppm1 2.955 ppm2 2.805 CV 1\par
ASSI \{ 2319\}\par
(( segid " " and resid 67 and name HB2 ))\par
(( segid " " and resid 91 and name HB2 ))\par
3.000 3.000 3.000 peak 2319 spectrum 2 weight 0.11000E+01 volume 0.39441E-02 ppm1 2.950 ppm2 2.077 CV 1\par
ASSI \{ 2321\}\par
(( segid " " and resid 67 and name HB2 ))\par
(( segid " " and resid 67 and name HA ))\par
2.700 0.900 0.900 peak 2321 spectrum 2 weight 0.11000E+01 volume 0.42468E-02 ppm1 2.948 ppm2 5.359 CV 1\par
ASSI \{ 2323\}\par
(( segid " " and resid 67 and name HB1 ))\par
(( segid " " and resid 67 and name HA ))\par
2.500 0.800 0.800 peak 2323 spectrum 2 weight 0.11000E+01 volume 0.39252E-02 ppm1 2.802 ppm2 5.361 CV 1\par
ASSI \{ 2326\}\par
(( segid " " and resid 67 and name HB1 ))\par
(( segid " " and resid 91 and name HB2 ))\par
2.800 2.800 3.200 peak 2326 spectrum 2 weight 0.11000E+01 volume 0.61480E-02 ppm1 2.799 ppm2 2.078 CV 1\par
ASSI \{ 2398\}\par
(( segid " " and resid 30 and name HB2 ))\par
(( segid " " and resid 30 and name HB1 ))\par
2.400 0.700 0.700 peak 2398 spectrum 2 weight 0.11000E+01 volume 0.22038E-02 ppm1 1.901 ppm2 1.608 CV 1\par
ASSI \{ 2400\}\par
(( segid " " and resid 30 and name HB2 ))\par
(( segid " " and resid 30 and name HG ))\par
2.700 0.900 0.900 peak 2400 spectrum 2 weight 0.11000E+01 volume 0.27902E-02 ppm1 1.901 ppm2 0.739 CV 1\par
OR \{ 2400\}\par
(( segid " " and resid 30 and name HB2 ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 2403\}\par
(( segid " " and resid 30 and name HB1 ))\par
(( segid " " and resid 30 and name HA ))\par
2.500 0.800 0.800 peak 2403 spectrum 2 weight 0.11000E+01 volume 0.33860E-02 ppm1 1.601 ppm2 5.229 CV 1\par
ASSI \{ 2405\}\par
(( segid " " and resid 30 and name HB1 ))\par
(( segid " " and resid 30 and name HG ))\par
2.800 1.000 1.000 peak 2405 spectrum 2 weight 0.11000E+01 volume 0.28091E-02 ppm1 1.596 ppm2 0.736 CV 1\par
OR \{ 2405\}\par
(( segid " " and resid 30 and name HB1 ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 2469\}\par
(( segid " " and resid 35 and name HB2 ))\par
(( segid " " and resid 35 and name HB1 ))\par
2.700 0.900 0.900 peak 2469 spectrum 2 weight 0.11000E+01 volume 0.17214E-02 ppm1 2.627 ppm2 2.513 CV 1\par
ASSI \{ 2470\}\par
(( segid " " and resid 35 and name HB1 ))\par
(( segid " " and resid 35 and name HA ))\par
2.900 1.100 1.100 peak 2470 spectrum 2 weight 0.11000E+01 volume 0.29888E-02 ppm1 2.495 ppm2 5.417 CV 1\par
ASSI \{ 2479\}\par
(( segid " " and resid 68 and name HB2 ))\par
(( segid " " and resid 68 and name HB1 ))\par
2.500 0.800 0.800 peak 2479 spectrum 2 weight 0.11000E+01 volume 0.18916E-02 ppm1 3.249 ppm2 2.982 CV 1\par
ASSI \{ 2482\}\par
(( segid " " and resid 68 and name HB1 ))\par
(( segid " " and resid 68 and name HA ))\par
2.900 1.100 1.100 peak 2482 spectrum 2 weight 0.11000E+01 volume 0.37644E-02 ppm1 2.985 ppm2 5.288 CV 1\par
ASSI \{ 2497\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 57 and name HA ))\par
3.100 3.100 2.900 peak 2497 spectrum 2 weight 0.11000E+01 volume 0.29888E-02 ppm1 2.993 ppm2 4.621 CV 1\par
ASSI \{ 2498\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 34 and name HD2 ))\par
3.200 1.300 1.300 peak 2498 spectrum 2 weight 0.11000E+01 volume 0.19295E-02 ppm1 2.988 ppm2 1.399 CV 1\par
ASSI \{ 2512\}\par
(( segid " " and resid 82 and name HB2 ))\par
(( segid " " and resid 82 and name HD21 ))\par
2.800 2.800 3.200 peak 2512 spectrum 2 weight 0.11000E+01 volume 0.21565E-02 ppm1 1.587 ppm2 0.845 CV 1\par
ASSI \{ 2551\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 57 and name HG1 ))\par
2.700 2.700 3.300 peak 2551 spectrum 2 weight 0.11000E+01 volume 0.51263E-02 ppm1 2.985 ppm2 2.278 CV 1\par
OR \{ 2551\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 57 and name HG2 ))\par
ASSI \{ 2559\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 35 and name HB2 ))\par
2.800 2.800 3.200 peak 2559 spectrum 2 weight 0.11000E+01 volume 0.42562E-02 ppm1 2.980 ppm2 2.647 CV 1\par
ASSI \{ 2563\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 34 and name HG2 ))\par
3.100 1.200 1.200 peak 2563 spectrum 2 weight 0.11000E+01 volume 0.20997E-02 ppm1 2.972 ppm2 1.244 CV 1\par
OR \{ 2563\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 34 and name HB1 ))\par
ASSI \{ 2585\}\par
(( segid " " and resid 82 and name HB2 ))\par
(( segid " " and resid 82 and name HB1 ))\par
2.400 0.700 0.700 peak 2585 spectrum 2 weight 0.11000E+01 volume 0.21565E-02 ppm1 1.582 ppm2 1.008 CV 1\par
ASSI \{ 2587\}\par
(( segid " " and resid 82 and name HB2 ))\par
(( segid " " and resid 82 and name HG ))\par
2.500 0.800 0.800 peak 2587 spectrum 2 weight 0.11000E+01 volume 0.61385E-02 ppm1 1.551 ppm2 1.861 CV 1\par
ASSI \{ 2592\}\par
(( segid " " and resid 82 and name HB1 ))\par
(( segid " " and resid 82 and name HG ))\par
2.400 0.700 0.700 peak 2592 spectrum 2 weight 0.11000E+01 volume 0.43981E-02 ppm1 1.023 ppm2 1.851 CV 1\par
ASSI \{ 2593\}\par
(( segid " " and resid 82 and name HB1 ))\par
(( segid " " and resid 82 and name HA ))\par
2.500 0.800 0.800 peak 2593 spectrum 2 weight 0.11000E+01 volume 0.34428E-02 ppm1 1.019 ppm2 3.906 CV 1\par
ASSI \{ 2596\}\par
(( segid " " and resid 82 and name HB1 ))\par
(( segid " " and resid 82 and name HD11 ))\par
3.000 1.100 1.100 peak 2596 spectrum 2 weight 0.11000E+01 volume 0.27334E-02 ppm1 1.018 ppm2 0.711 CV 1\par
ASSI \{ 2607\}\par
(( segid " " and resid 34 and name HE1 ))\par
(( segid " " and resid 34 and name HE2 ))\par
2.500 0.800 0.800 peak 2607 spectrum 2 weight 0.11000E+01 volume 0.16079E-02 ppm1 2.898 ppm2 3.001 CV 1\par
ASSI \{ 2613\}\par
(( segid " " and resid 82 and name HB2 ))\par
(( segid " " and resid 83 and name HE2 ))\par
2.500 0.800 0.800 peak 2613 spectrum 2 weight 0.11000E+01 volume 0.28186E-02 ppm1 1.615 ppm2 2.985 CV 1\par
ASSI \{ 2622\}\par
(( segid " " and resid 82 and name HB1 ))\par
(( segid " " and resid 83 and name HE2 ))\par
2.500 2.500 3.500 peak 2622 spectrum 2 weight 0.11000E+01 volume 0.61575E-02 ppm1 1.000 ppm2 2.982 CV 1\par
ASSI \{ 2624\}\par
(( segid " " and resid 82 and name HD21 ))\par
(( segid " " and resid 83 and name HE2 ))\par
2.800 2.800 3.200 peak 2624 spectrum 2 weight 0.11000E+01 volume 0.28942E-02 ppm1 0.856 ppm2 2.976 CV 1\par
ASSI \{ 2644\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 57 and name HG1 ))\par
2.900 2.900 3.100 peak 2644 spectrum 2 weight 0.11000E+01 volume 0.42562E-02 ppm1 3.014 ppm2 2.308 CV 1\par
ASSI \{ 2646\}\par
(( segid " " and resid 44 and name HB2 ))\par
(( segid " " and resid 44 and name HA ))\par
2.600 2.600 3.400 peak 2646 spectrum 2 weight 0.11000E+01 volume 0.35090E-02 ppm1 3.011 ppm2 4.437 CV 1\par
ASSI \{ 2647\}\par
(( segid " " and resid 44 and name HB2 ))\par
(( segid " " and resid 48 and name HB2 ))\par
3.200 3.200 2.800 peak 2647 spectrum 2 weight 0.11000E+01 volume 0.34333E-02 ppm1 3.011 ppm2 3.335 CV 1\par
ASSI \{ 2651\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 30 and name HB1 ))\par
3.300 3.300 2.700 peak 2651 spectrum 2 weight 0.11000E+01 volume 0.17592E-02 ppm1 3.012 ppm2 1.652 CV 1\par
ASSI \{ 2657\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 30 and name HB2 ))\par
2.600 2.600 3.400 peak 2657 spectrum 2 weight 0.11000E+01 volume 0.34711E-02 ppm1 2.945 ppm2 1.920 CV 1\par
ASSI \{ 2659\}\par
(( segid " " and resid 34 and name HE2 ))\par
(( segid " " and resid 30 and name HG ))\par
2.700 2.700 3.300 peak 2659 spectrum 2 weight 0.11000E+01 volume 0.32631E-02 ppm1 2.945 ppm2 0.754 CV 1\par
OR \{ 2659\}\par
(( segid " " and resid 34 and name HE2 ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 2667\}\par
(( segid " " and resid 34 and name HE1 ))\par
(( segid " " and resid 35 and name HB2 ))\par
2.900 2.900 3.100 peak 2667 spectrum 2 weight 0.11000E+01 volume 0.29605E-02 ppm1 2.866 ppm2 2.656 CV 1\par
ASSI \{ 2670\}\par
(( segid " " and resid 34 and name HE1 ))\par
(( segid " " and resid 34 and name HB2 ))\par
3.200 1.300 1.300 peak 2670 spectrum 2 weight 0.11000E+01 volume 0.20903E-02 ppm1 2.864 ppm2 1.586 CV 1\par
ASSI \{ 2671\}\par
(( segid " " and resid 34 and name HE1 ))\par
(( segid " " and resid 30 and name HG ))\par
2.900 1.100 1.100 peak 2671 spectrum 2 weight 0.11000E+01 volume 0.30834E-02 ppm1 2.867 ppm2 0.750 CV 1\par
OR \{ 2671\}\par
(( segid " " and resid 34 and name HE1 ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 2672\}\par
(( segid " " and resid 34 and name HE1 ))\par
(( segid " " and resid 34 and name HG2 ))\par
2.900 1.100 1.100 peak 2672 spectrum 2 weight 0.11000E+01 volume 0.24119E-02 ppm1 2.863 ppm2 1.232 CV 1\par
ASSI \{ 2732\}\par
(( segid " " and resid 44 and name HB2 ))\par
(( segid " " and resid 41 and name HD1 ))\par
2.400 2.400 3.600 peak 2732 spectrum 2 weight 0.11000E+01 volume 0.28375E-02 ppm1 3.023 ppm2 2.630 CV 1\par
ASSI \{ 2775\}\par
(( segid " " and resid 53 and name HB2 ))\par
(( segid " " and resid 53 and name HA ))\par
2.400 0.700 0.700 peak 2775 spectrum 2 weight 0.11000E+01 volume 0.48615E-02 ppm1 2.462 ppm2 4.255 CV 1\par
ASSI \{ 2776\}\par
(( segid " " and resid 53 and name HB2 ))\par
(( segid " " and resid 53 and name HB1 ))\par
2.200 0.600 0.600 peak 2776 spectrum 2 weight 0.11000E+01 volume 0.24213E-02 ppm1 2.458 ppm2 1.640 CV 1\par
ASSI \{ 2777\}\par
(( segid " " and resid 53 and name HB2 ))\par
( segid " " and resid 53 and name HD1% )\par
3.100 1.200 1.200 peak 2777 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 2.458 ppm2 0.921 CV 1\par
ASSI \{ 2781\}\par
(( segid " " and resid 53 and name HB1 ))\par
( segid " " and resid 53 and name HD1% )\par
2.700 0.900 0.900 peak 2781 spectrum 2 weight 0.11000E+01 volume 0.26105E-02 ppm1 1.657 ppm2 0.923 CV 1\par
ASSI \{ 2807\}\par
(( segid " " and resid 88 and name HB2 ))\par
(( segid " " and resid 89 and name HB ))\par
3.100 3.100 2.900 peak 2807 spectrum 2 weight 0.11000E+01 volume 0.33293E-02 ppm1 3.122 ppm2 1.740 CV 1\par
ASSI \{ 2896\}\par
(( segid " " and resid 47 and name HB1 ))\par
(( segid " " and resid 47 and name HA ))\par
2.700 2.700 3.300 peak 2896 spectrum 2 weight 0.11000E+01 volume 0.49088E-02 ppm1 2.780 ppm2 3.726 CV 1\par
ASSI \{ 2985\}\par
(( segid " " and resid 84 and name HB ))\par
(( segid " " and resid 90 and name HG21 ))\par
2.600 2.600 3.400 peak 2985 spectrum 2 weight 0.11000E+01 volume 0.40671E-02 ppm1 1.364 ppm2 1.147 CV 1\par
ASSI \{ 3005\}\par
(( segid " " and resid 93 and name HB ))\par
(( segid " " and resid 93 and name HG12 ))\par
2.800 1.000 1.000 peak 3005 spectrum 2 weight 0.11000E+01 volume 0.37833E-02 ppm1 2.151 ppm2 1.396 CV 1\par
ASSI \{ 3008\}\par
(( segid " " and resid 93 and name HB ))\par
(( segid " " and resid 93 and name HG21 ))\par
3.000 1.100 1.100 peak 3008 spectrum 2 weight 0.11000E+01 volume 0.24970E-02 ppm1 2.137 ppm2 0.914 CV 1\par
ASSI \{ 3009\}\par
(( segid " " and resid 93 and name HB ))\par
(( segid " " and resid 93 and name HG11 ))\par
2.500 0.800 0.800 peak 3009 spectrum 2 weight 0.11000E+01 volume 0.35279E-02 ppm1 2.134 ppm2 1.617 CV 1\par
ASSI \{ 3010\}\par
(( segid " " and resid 93 and name HB ))\par
(( segid " " and resid 93 and name HD11 ))\par
2.400 0.700 0.700 peak 3010 spectrum 2 weight 0.11000E+01 volume 0.35847E-02 ppm1 2.133 ppm2 0.736 CV 1\par
ASSI \{ 3228\}\par
(( segid " " and resid 34 and name HB2 ))\par
(( segid " " and resid 34 and name HB1 ))\par
2.400 0.700 0.700 peak 3228 spectrum 2 weight 0.11000E+01 volume 0.21187E-02 ppm1 1.611 ppm2 1.270 CV 1\par
ASSI \{ 3231\}\par
(( segid " " and resid 34 and name HB2 ))\par
(( segid " " and resid 30 and name HG ))\par
3.100 1.200 1.200 peak 3231 spectrum 2 weight 0.11000E+01 volume 0.29699E-02 ppm1 1.604 ppm2 0.740 CV 1\par
OR \{ 3231\}\par
(( segid " " and resid 34 and name HB2 ))\par
( segid " " and resid 30 and name HD2% )\par
ASSI \{ 3233\}\par
(( segid " " and resid 34 and name HB2 ))\par
(( segid " " and resid 34 and name HA ))\par
2.600 0.800 0.800 peak 3233 spectrum 2 weight 0.11000E+01 volume 0.32725E-02 ppm1 1.573 ppm2 4.415 CV 1\par
ASSI \{ 3257\}\par
(( segid " " and resid 34 and name HB2 ))\par
(( segid " " and resid 30 and name HB2 ))\par
2.900 2.900 3.100 peak 3257 spectrum 2 weight 0.11000E+01 volume 0.45873E-02 ppm1 1.601 ppm2 1.873 CV 1\par
ASSI \{ 3331\}\par
(( segid " " and resid 40 and name HB ))\par
(( segid " " and resid 40 and name HA ))\par
2.700 0.900 0.900 peak 3331 spectrum 2 weight 0.11000E+01 volume 0.28847E-02 ppm1 2.490 ppm2 4.492 CV 1\par
ASSI \{ 3334\}\par
(( segid " " and resid 49 and name HB1 ))\par
(( segid " " and resid 38 and name HG ))\par
3.000 3.000 3.000 peak 3334 spectrum 2 weight 0.11000E+01 volume 0.68007E-02 ppm1 1.866 ppm2 1.495 CV 1\par
ASSI \{ 3350\}\par
(( segid " " and resid 37 and name HB1 ))\par
(( segid " " and resid 37 and name HB2 ))\par
2.000 0.500 0.500 peak 3350 spectrum 2 weight 0.11000E+01 volume 0.69046E-02 ppm1 1.435 ppm2 1.591 CV 1\par
ASSI \{ 3376\}\par
(( segid " " and resid 49 and name HB2 ))\par
(( segid " " and resid 46 and name HB ))\par
3.700 3.700 2.300 peak 3376 spectrum 2 weight 0.11000E+01 volume 0.29415E-02 ppm1 2.867 ppm2 2.323 CV 1\par
ASSI \{ 3401\}\par
(( segid " " and resid 37 and name HB2 ))\par
(( segid " " and resid 27 and name HB2 ))\par
3.000 3.000 3.000 peak 3401 spectrum 2 weight 0.11000E+01 volume 0.35374E-02 ppm1 1.550 ppm2 1.872 CV 1\par
ASSI \{ 3413\}\par
(( segid " " and resid 49 and name HB1 ))\par
(( segid " " and resid 46 and name HB ))\par
3.600 1.600 1.600 peak 3413 spectrum 2 weight 0.11000E+01 volume 0.24497E-02 ppm1 1.882 ppm2 2.329 CV 1\par
ASSI \{ 3415\}\par
(( segid " " and resid 92 and name HB ))\par
(( segid " " and resid 91 and name HG2 ))\par
2.900 2.900 3.100 peak 3415 spectrum 2 weight 0.11000E+01 volume 0.68951E-02 ppm1 1.688 ppm2 2.338 CV 1\par
ASSI \{ 3443\}\par
(( segid " " and resid 64 and name HB1 ))\par
(( segid " " and resid 64 and name HA ))\par
2.400 0.700 0.700 peak 3443 spectrum 2 weight 0.11000E+01 volume 0.48237E-02 ppm1 1.753 ppm2 4.862 CV 1\par
ASSI \{ 3444\}\par
(( segid " " and resid 64 and name HB1 ))\par
(( segid " " and resid 64 and name HB2 ))\par
2.300 0.600 0.600 peak 3444 spectrum 2 weight 0.11000E+01 volume 0.33388E-02 ppm1 1.752 ppm2 2.123 CV 1\par
ASSI \{ 3453\}\par
(( segid " " and resid 92 and name HB ))\par
(( segid " " and resid 92 and name HG21 ))\par
2.700 0.900 0.900 peak 3453 spectrum 2 weight 0.11000E+01 volume 0.24686E-02 ppm1 1.700 ppm2 0.554 CV 1\par
ASSI \{ 3454\}\par
(( segid " " and resid 92 and name HB ))\par
(( segid " " and resid 30 and name HA ))\par
3.200 1.300 1.300 peak 3454 spectrum 2 weight 0.11000E+01 volume 0.30739E-02 ppm1 1.695 ppm2 5.231 CV 1\par
ASSI \{ 3455\}\par
(( segid " " and resid 92 and name HB ))\par
(( segid " " and resid 92 and name HG11 ))\par
2.400 0.700 0.700 peak 3455 spectrum 2 weight 0.11000E+01 volume 0.27996E-02 ppm1 1.694 ppm2 -0.384 CV 1\par
ASSI \{ 3494\}\par
(( segid " " and resid 64 and name HB2 ))\par
(( segid " " and resid 64 and name HG2 ))\par
2.800 1.000 1.000 peak 3494 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 2.087 ppm2 2.534 CV 1\par
ASSI \{ 3495\}\par
(( segid " " and resid 77 and name HB2 ))\par
(( segid " " and resid 77 and name HA ))\par
2.800 1.000 1.000 peak 3495 spectrum 2 weight 0.11000E+01 volume 0.42373E-02 ppm1 2.080 ppm2 4.167 CV 1\par
ASSI \{ 3497\}\par
(( segid " " and resid 65 and name HB2 ))\par
(( segid " " and resid 65 and name HA ))\par
2.700 0.900 0.900 peak 3497 spectrum 2 weight 0.11000E+01 volume 0.41616E-02 ppm1 2.006 ppm2 5.307 CV 1\par
ASSI \{ 3499\}\par
(( segid " " and resid 90 and name HB ))\par
(( segid " " and resid 90 and name HG21 ))\par
3.000 1.100 1.100 peak 3499 spectrum 2 weight 0.11000E+01 volume 0.20713E-02 ppm1 2.008 ppm2 1.156 CV 1\par
ASSI \{ 3500\}\par
(( segid " " and resid 90 and name HB ))\par
( segid " " and resid 28 and name HD1% )\par
2.600 0.900 0.900 peak 3500 spectrum 2 weight 0.11000E+01 volume 0.27618E-02 ppm1 2.007 ppm2 0.265 CV 1\par
ASSI \{ 3502\}\par
(( segid " " and resid 77 and name HB1 ))\par
(( segid " " and resid 77 and name HB2 ))\par
2.200 0.600 0.600 peak 3502 spectrum 2 weight 0.11000E+01 volume 0.30077E-02 ppm1 1.856 ppm2 2.073 CV 1\par
ASSI \{ 3515\}\par
(( segid " " and resid 92 and name HB ))\par
(( segid " " and resid 30 and name HB2 ))\par
3.500 3.500 2.500 peak 3515 spectrum 2 weight 0.11000E+01 volume 0.26483E-02 ppm1 1.693 ppm2 1.869 CV 1\par
ASSI \{ 3541\}\par
(( segid " " and resid 77 and name HB2 ))\par
(( segid " " and resid 46 and name HB ))\par
2.500 2.500 3.500 peak 3541 spectrum 2 weight 0.11000E+01 volume 0.32915E-02 ppm1 2.028 ppm2 2.369 CV 1\par
ASSI \{ 3544\}\par
(( segid " " and resid 94 and name HB ))\par
(( segid " " and resid 63 and name HA ))\par
2.800 1.000 1.000 peak 3544 spectrum 2 weight 0.11000E+01 volume 0.26956E-02 ppm1 1.985 ppm2 4.704 CV 1\par
ASSI \{ 3546\}\par
(( segid " " and resid 90 and name HB ))\par
(( segid " " and resid 68 and name HB2 ))\par
3.300 3.300 2.700 peak 3546 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 1.977 ppm2 3.272 CV 1\par
ASSI \{ 3588\}\par
(( segid " " and resid 76 and name HB2 ))\par
(( segid " " and resid 76 and name HG1 ))\par
2.700 2.700 3.300 peak 3588 spectrum 2 weight 0.11000E+01 volume 0.19106E-02 ppm1 1.918 ppm2 1.420 CV 1\par
ASSI \{ 3589\}\par
(( segid " " and resid 77 and name HB1 ))\par
(( segid " " and resid 77 and name HA ))\par
2.700 0.900 0.900 peak 3589 spectrum 2 weight 0.11000E+01 volume 0.21092E-02 ppm1 1.873 ppm2 4.164 CV 1\par
ASSI \{ 3591\}\par
(( segid " " and resid 76 and name HB1 ))\par
(( segid " " and resid 76 and name HG2 ))\par
3.100 1.200 1.200 peak 3591 spectrum 2 weight 0.11000E+01 volume 0.17403E-02 ppm1 1.799 ppm2 1.510 CV 1\par
ASSI \{ 3592\}\par
(( segid " " and resid 76 and name HB1 ))\par
(( segid " " and resid 77 and name HA ))\par
2.800 2.800 3.200 peak 3592 spectrum 2 weight 0.11000E+01 volume 0.23362E-02 ppm1 1.795 ppm2 4.182 CV 1\par
ASSI \{ 3594\}\par
(( segid " " and resid 76 and name HB1 ))\par
(( segid " " and resid 77 and name HG2 ))\par
3.100 3.100 2.900 peak 3594 spectrum 2 weight 0.11000E+01 volume 0.20903E-02 ppm1 1.780 ppm2 1.429 CV 1\par
ASSI \{ 3603\}\par
(( segid " " and resid 57 and name HB1 ))\par
(( segid " " and resid 34 and name HG2 ))\par
2.600 2.600 3.400 peak 3603 spectrum 2 weight 0.11000E+01 volume 0.36130E-02 ppm1 1.573 ppm2 1.226 CV 1\par
ASSI \{ 3606\}\par
(( segid " " and resid 57 and name HB1 ))\par
(( segid " " and resid 34 and name HG2 ))\par
2.600 2.600 3.400 peak 3606 spectrum 2 weight 0.11000E+01 volume 0.33104E-02 ppm1 1.557 ppm2 1.253 CV 1\par
OR \{ 3606\}\par
(( segid " " and resid 57 and name HB1 ))\par
(( segid " " and resid 34 and name HB1 ))\par
ASSI \{ 3607\}\par
(( segid " " and resid 29 and name HB2 ))\par
(( segid " " and resid 29 and name HA ))\par
2.500 0.800 0.800 peak 3607 spectrum 2 weight 0.11000E+01 volume 0.27334E-02 ppm1 1.546 ppm2 5.025 CV 1\par
ASSI \{ 3664\}\par
(( segid " " and resid 76 and name HB2 ))\par
(( segid " " and resid 77 and name HA ))\par
3.200 3.200 2.800 peak 3664 spectrum 2 weight 0.11000E+01 volume 0.22038E-02 ppm1 1.936 ppm2 4.204 CV 1\par
ASSI \{ 3683\}\par
(( segid " " and resid 41 and name HB1 ))\par
(( segid " " and resid 44 and name HB2 ))\par
3.000 1.100 1.100 peak 3683 spectrum 2 weight 0.11000E+01 volume 0.28091E-02 ppm1 1.603 ppm2 2.997 CV 1\par
OR \{ 3683\}\par
(( segid " " and resid 41 and name HB2 ))\par
(( segid " " and resid 44 and name HB2 ))\par
ASSI \{ 3685\}\par
(( segid " " and resid 41 and name HB2 ))\par
(( segid " " and resid 41 and name HA ))\par
2.700 0.900 0.900 peak 3685 spectrum 2 weight 0.11000E+01 volume 0.27429E-02 ppm1 1.597 ppm2 4.963 CV 1\par
OR \{ 3685\}\par
(( segid " " and resid 41 and name HB1 ))\par
(( segid " " and resid 41 and name HA ))\par
ASSI \{ 3724\}\par
(( segid " " and resid 59 and name HB ))\par
(( segid " " and resid 64 and name HG1 ))\par
2.600 2.600 3.400 peak 3724 spectrum 2 weight 0.11000E+01 volume 0.52777E-02 ppm1 1.154 ppm2 2.290 CV 1\par
ASSI \{ 3729\}\par
(( segid " " and resid 71 and name HB2 ))\par
(( segid " " and resid 71 and name HD2 ))\par
2.900 1.100 1.100 peak 3729 spectrum 2 weight 0.11000E+01 volume 0.29793E-02 ppm1 1.999 ppm2 3.261 CV 1\par
OR \{ 3729\}\par
(( segid " " and resid 71 and name HB1 ))\par
(( segid " " and resid 71 and name HD2 ))\par
ASSI \{ 3730\}\par
(( segid " " and resid 71 and name HB1 ))\par
(( segid " " and resid 71 and name HA ))\par
2.800 0.900 0.900 peak 3730 spectrum 2 weight 0.11000E+01 volume 0.27145E-02 ppm1 1.986 ppm2 5.052 CV 1\par
OR \{ 3730\}\par
(( segid " " and resid 71 and name HB2 ))\par
(( segid " " and resid 71 and name HA ))\par
ASSI \{ 3732\}\par
(( segid " " and resid 71 and name HB1 ))\par
(( segid " " and resid 71 and name HG2 ))\par
3.000 1.100 1.100 peak 3732 spectrum 2 weight 0.11000E+01 volume 0.16174E-02 ppm1 1.987 ppm2 1.724 CV 1\par
OR \{ 3732\}\par
(( segid " " and resid 71 and name HB2 ))\par
(( segid " " and resid 71 and name HG2 ))\par
ASSI \{ 3756\}\par
(( segid " " and resid 48 and name HB2 ))\par
(( segid " " and resid 51 and name HA ))\par
3.400 3.400 2.600 peak 3756 spectrum 2 weight 0.11000E+01 volume 0.48899E-02 ppm1 3.352 ppm2 4.033 CV 1\par
ASSI \{ 3764\}\par
(( segid " " and resid 24 and name HB2 ))\par
(( segid " " and resid 24 and name HB1 ))\par
2.500 0.800 0.800 peak 3764 spectrum 2 weight 0.11000E+01 volume 0.21659E-02 ppm1 2.694 ppm2 2.350 CV 1\par
ASSI \{ 3769\}\par
(( segid " " and resid 46 and name HB ))\par
( segid " " and resid 46 and name HG2% )\par
2.600 0.900 0.900 peak 3769 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 2.325 ppm2 0.792 CV 1\par
ASSI \{ 3772\}\par
(( segid " " and resid 39 and name HB ))\par
(( segid " " and resid 39 and name HA ))\par
2.800 1.000 1.000 peak 3772 spectrum 2 weight 0.11000E+01 volume 0.28753E-02 ppm1 1.922 ppm2 4.444 CV 1\par
ASSI \{ 3773\}\par
(( segid " " and resid 39 and name HB ))\par
( segid " " and resid 39 and name HG1% )\par
2.900 1.100 1.100 peak 3773 spectrum 2 weight 0.11000E+01 volume 0.19862E-02 ppm1 1.921 ppm2 0.865 CV 1\par
ASSI \{ 3804\}\par
(( segid " " and resid 46 and name HB ))\par
(( segid " " and resid 77 and name HG2 ))\par
2.500 0.800 0.800 peak 3804 spectrum 2 weight 0.11000E+01 volume 0.45967E-02 ppm1 2.332 ppm2 1.393 CV 1\par
ASSI \{ 3805\}\par
(( segid " " and resid 24 and name HB1 ))\par
(( segid " " and resid 42 and name HA ))\par
3.200 3.200 2.800 peak 3805 spectrum 2 weight 0.11000E+01 volume 0.28753E-02 ppm1 2.325 ppm2 3.572 CV 1\par
ASSI \{ 3809\}\par
(( segid " " and resid 24 and name HB1 ))\par
(( segid " " and resid 79 and name HA ))\par
3.000 3.000 3.000 peak 3809 spectrum 2 weight 0.11000E+01 volume 0.28658E-02 ppm1 2.323 ppm2 3.789 CV 1\par
ASSI \{ 3819\}\par
(( segid " " and resid 39 and name HB ))\par
(( segid " " and resid 38 and name HG ))\par
2.900 2.900 3.100 peak 3819 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 1.947 ppm2 1.498 CV 1\par
ASSI \{ 3820\}\par
(( segid " " and resid 27 and name HB2 ))\par
(( segid " " and resid 37 and name HB1 ))\par
3.000 3.000 3.000 peak 3820 spectrum 2 weight 0.11000E+01 volume 0.22794E-02 ppm1 1.902 ppm2 1.442 CV 1\par
ASSI \{ 3827\}\par
(( segid " " and resid 27 and name HB2 ))\par
(( segid " " and resid 27 and name HA ))\par
2.600 2.600 3.400 peak 3827 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 1.844 ppm2 4.659 CV 1\par
ASSI \{ 3844\}\par
(( segid " " and resid 66 and name HB2 ))\par
(( segid " " and resid 66 and name HB1 ))\par
2.200 0.600 0.600 peak 3844 spectrum 2 weight 0.11000E+01 volume 0.46345E-02 ppm1 3.147 ppm2 3.073 CV 1\par
ASSI \{ 3937\}\par
(( segid " " and resid 91 and name HB2 ))\par
(( segid " " and resid 29 and name HB2 ))\par
2.900 2.900 3.100 peak 3937 spectrum 2 weight 0.11000E+01 volume 0.52777E-02 ppm1 2.079 ppm2 1.524 CV 1\par
ASSI \{ 4013\}\par
(( segid " " and resid 81 and name HB1 ))\par
(( segid " " and resid 78 and name HA ))\par
2.400 2.400 3.600 peak 4013 spectrum 2 weight 0.11000E+01 volume 0.29983E-02 ppm1 2.138 ppm2 4.687 CV 1\par
ASSI \{ 4014\}\par
(( segid " " and resid 91 and name HB2 ))\par
(( segid " " and resid 91 and name HA ))\par
2.600 0.800 0.800 peak 4014 spectrum 2 weight 0.11000E+01 volume 0.28847E-02 ppm1 2.057 ppm2 4.684 CV 1\par
ASSI \{ 4093\}\par
(( segid " " and resid 81 and name HB1 ))\par
(( segid " " and resid 81 and name HB2 ))\par
2.600 0.900 0.900 peak 4093 spectrum 2 weight 0.11000E+01 volume 0.16268E-02 ppm1 2.108 ppm2 2.341 CV 1\par
ASSI \{ 4099\}\par
(( segid " " and resid 83 and name HB2 ))\par
(( segid " " and resid 83 and name HG2 ))\par
2.600 0.800 0.800 peak 4099 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 1.815 ppm2 1.219 CV 1\par
ASSI \{ 4195\}\par
(( segid " " and resid 83 and name HB2 ))\par
(( segid " " and resid 83 and name HE2 ))\par
2.800 1.000 1.000 peak 4195 spectrum 2 weight 0.11000E+01 volume 0.54858E-02 ppm1 1.818 ppm2 2.947 CV 1\par
ASSI \{ 4487\}\par
(( segid " " and resid 28 and name HG ))\par
(( segid " " and resid 28 and name HA ))\par
2.900 1.100 1.100 peak 4487 spectrum 2 weight 0.11000E+01 volume 0.41238E-02 ppm1 0.598 ppm2 5.306 CV 1\par
ASSI \{ 4491\}\par
(( segid " " and resid 28 and name HG ))\par
( segid " " and resid 28 and name HD1% )\par
2.600 0.900 0.900 peak 4491 spectrum 2 weight 0.11000E+01 volume 0.25348E-02 ppm1 0.598 ppm2 0.266 CV 1\par
ASSI \{ 4492\}\par
(( segid " " and resid 28 and name HG ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.000 1.100 1.100 peak 4492 spectrum 2 weight 0.11000E+01 volume 0.31307E-02 ppm1 0.597 ppm2 -0.385 CV 1\par
ASSI \{ 4637\}\par
(( segid " " and resid 28 and name HG ))\par
(( segid " " and resid 90 and name HB ))\par
2.900 2.900 3.100 peak 4637 spectrum 2 weight 0.11000E+01 volume 0.57412E-02 ppm1 0.639 ppm2 1.986 CV 1\par
ASSI \{ 4732\}\par
(( segid " " and resid 46 and name HA ))\par
(( segid " " and resid 47 and name HB2 ))\par
3.000 3.000 3.000 peak 4732 spectrum 2 weight 0.11000E+01 volume 0.43319E-02 ppm1 3.254 ppm2 2.961 CV 1\par
ASSI \{ 4733\}\par
(( segid " " and resid 46 and name HA ))\par
(( segid " " and resid 46 and name HB ))\par
2.400 0.700 0.700 peak 4733 spectrum 2 weight 0.11000E+01 volume 0.43413E-02 ppm1 3.251 ppm2 2.330 CV 1\par
ASSI \{ 4734\}\par
(( segid " " and resid 46 and name HA ))\par
(( segid " " and resid 49 and name HB1 ))\par
2.100 0.500 0.500 peak 4734 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 3.253 ppm2 1.912 CV 1\par
ASSI \{ 4735\}\par
(( segid " " and resid 46 and name HA ))\par
( segid " " and resid 46 and name HG2% )\par
2.500 0.800 0.800 peak 4735 spectrum 2 weight 0.11000E+01 volume 0.26010E-02 ppm1 3.254 ppm2 0.794 CV 1\par
ASSI \{ 4961\}\par
(( segid " " and resid 53 and name HG ))\par
(( segid " " and resid 64 and name HB2 ))\par
2.900 2.900 3.100 peak 4961 spectrum 2 weight 0.11000E+01 volume 0.57317E-02 ppm1 0.992 ppm2 2.084 CV 1\par
ASSI \{ 4964\}\par
(( segid " " and resid 53 and name HG ))\par
(( segid " " and resid 50 and name HA ))\par
2.900 1.000 1.000 peak 4964 spectrum 2 weight 0.11000E+01 volume 0.37549E-02 ppm1 0.958 ppm2 4.584 CV 1\par
ASSI \{ 4965\}\par
(( segid " " and resid 53 and name HG ))\par
(( segid " " and resid 53 and name HA ))\par
2.900 1.100 1.100 peak 4965 spectrum 2 weight 0.11000E+01 volume 0.24970E-02 ppm1 0.958 ppm2 4.255 CV 1\par
ASSI \{ 4966\}\par
(( segid " " and resid 53 and name HG ))\par
(( segid " " and resid 53 and name HB2 ))\par
2.500 0.800 0.800 peak 4966 spectrum 2 weight 0.11000E+01 volume 0.27618E-02 ppm1 0.959 ppm2 2.452 CV 1\par
ASSI \{ 4971\}\par
(( segid " " and resid 53 and name HG ))\par
( segid " " and resid 28 and name HD1% )\par
2.600 0.900 0.900 peak 4971 spectrum 2 weight 0.11000E+01 volume 0.30550E-02 ppm1 0.960 ppm2 0.266 CV 1\par
ASSI \{ 4972\}\par
(( segid " " and resid 53 and name HG ))\par
(( segid " " and resid 92 and name HG11 ))\par
2.500 2.500 3.500 peak 4972 spectrum 2 weight 0.11000E+01 volume 0.42184E-02 ppm1 0.959 ppm2 -0.384 CV 1\par
ASSI \{ 5085\}\par
(( segid " " and resid 30 and name HG ))\par
(( segid " " and resid 30 and name HA ))\par
2.900 1.100 1.100 peak 5085 spectrum 2 weight 0.11000E+01 volume 0.32820E-02 ppm1 0.763 ppm2 5.231 CV 1\par
ASSI \{ 5087\}\par
(( segid " " and resid 30 and name HG ))\par
(( segid " " and resid 30 and name HB2 ))\par
2.700 0.900 0.900 peak 5087 spectrum 2 weight 0.11000E+01 volume 0.24213E-02 ppm1 0.766 ppm2 1.887 CV 1\par
ASSI \{ 5088\}\par
(( segid " " and resid 30 and name HG ))\par
(( segid " " and resid 30 and name HB1 ))\par
2.900 1.100 1.100 peak 5088 spectrum 2 weight 0.11000E+01 volume 0.19200E-02 ppm1 0.763 ppm2 1.614 CV 1\par
ASSI \{ 5089\}\par
(( segid " " and resid 30 and name HG ))\par
(( segid " " and resid 34 and name HB1 ))\par
2.600 2.600 3.400 peak 5089 spectrum 2 weight 0.11000E+01 volume 0.27902E-02 ppm1 0.763 ppm2 1.316 CV 1\par
ASSI \{ 5092\}\par
(( segid " " and resid 30 and name HG ))\par
( segid " " and resid 28 and name HD1% )\par
3.400 3.400 2.600 peak 5092 spectrum 2 weight 0.11000E+01 volume 0.38684E-02 ppm1 0.764 ppm2 0.302 CV 1\par
ASSI \{ 5093\}\par
(( segid " " and resid 30 and name HG ))\par
(( segid " " and resid 92 and name HG11 ))\par
3.500 1.500 1.500 peak 5093 spectrum 2 weight 0.11000E+01 volume 0.37360E-02 ppm1 0.764 ppm2 -0.385 CV 1\par
ASSI \{ 5097\}\par
( segid " " and resid 28 and name HD1% )\par
(( segid " " and resid 30 and name HB1 ))\par
3.400 3.400 2.600 peak 5097 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 0.262 ppm2 1.615 CV 1\par
ASSI \{ 5099\}\par
( segid " " and resid 28 and name HD1% )\par
( segid " " and resid 53 and name HD1% )\par
3.000 1.100 1.100 peak 5099 spectrum 2 weight 0.11000E+01 volume 0.21659E-02 ppm1 0.262 ppm2 0.896 CV 1\par
ASSI \{ 5379\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 90 and name HB ))\par
2.700 0.900 0.900 peak 5379 spectrum 2 weight 0.11000E+01 volume 0.36604E-02 ppm1 0.806 ppm2 1.987 CV 1\par
ASSI \{ 5380\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 78 and name HB2 ))\par
3.300 3.300 2.700 peak 5380 spectrum 2 weight 0.11000E+01 volume 0.32537E-02 ppm1 0.800 ppm2 1.585 CV 1\par
ASSI \{ 5382\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 45 and name HB ))\par
3.100 3.100 2.900 peak 5382 spectrum 2 weight 0.11000E+01 volume 0.45400E-02 ppm1 0.788 ppm2 4.831 CV 1\par
ASSI \{ 5383\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 75 and name HA ))\par
3.400 1.500 1.500 peak 5383 spectrum 2 weight 0.11000E+01 volume 0.34523E-02 ppm1 0.787 ppm2 4.247 CV 1\par
ASSI \{ 5385\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 47 and name HB2 ))\par
3.200 3.200 2.800 peak 5385 spectrum 2 weight 0.11000E+01 volume 0.47764E-02 ppm1 0.789 ppm2 2.923 CV 1\par
ASSI \{ 5389\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 77 and name HG2 ))\par
3.000 1.100 1.100 peak 5389 spectrum 2 weight 0.11000E+01 volume 0.31307E-02 ppm1 0.789 ppm2 1.392 CV 1\par
ASSI \{ 5394\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 77 and name HB2 ))\par
2.500 0.800 0.800 peak 5394 spectrum 2 weight 0.11000E+01 volume 0.23457E-02 ppm1 0.784 ppm2 2.074 CV 1\par
ASSI \{ 5395\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 49 and name HB1 ))\par
3.600 1.600 1.600 peak 5395 spectrum 2 weight 0.11000E+01 volume 0.22132E-02 ppm1 0.785 ppm2 1.917 CV 1\par
ASSI \{ 5407\}\par
( segid " " and resid 30 and name HD2% )\par
(( segid " " and resid 30 and name HB1 ))\par
2.900 1.100 1.100 peak 5407 spectrum 2 weight 0.11000E+01 volume 0.20713E-02 ppm1 0.704 ppm2 1.638 CV 1\par
ASSI \{ 5410\}\par
( segid " " and resid 30 and name HD2% )\par
( segid " " and resid 28 and name HD1% )\par
2.900 1.100 1.100 peak 5410 spectrum 2 weight 0.11000E+01 volume 0.33009E-02 ppm1 0.705 ppm2 0.268 CV 1\par
ASSI \{ 5411\}\par
( segid " " and resid 30 and name HD2% )\par
(( segid " " and resid 92 and name HG11 ))\par
2.600 0.900 0.900 peak 5411 spectrum 2 weight 0.11000E+01 volume 0.29983E-02 ppm1 0.704 ppm2 -0.384 CV 1\par
ASSI \{ 5413\}\par
( segid " " and resid 30 and name HD2% )\par
(( segid " " and resid 30 and name HB2 ))\par
2.900 1.000 1.000 peak 5413 spectrum 2 weight 0.11000E+01 volume 0.29699E-02 ppm1 0.698 ppm2 1.882 CV 1\par
ASSI \{ 5428\}\par
(( segid " " and resid 63 and name HB2 ))\par
( segid " " and resid 59 and name HG2% )\par
2.700 0.900 0.900 peak 5428 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 4.209 ppm2 0.938 CV 1\par
ASSI \{ 5429\}\par
(( segid " " and resid 63 and name HB2 ))\par
(( segid " " and resid 59 and name HA ))\par
2.700 0.900 0.900 peak 5429 spectrum 2 weight 0.11000E+01 volume 0.44738E-02 ppm1 4.197 ppm2 4.254 CV 1\par
ASSI \{ 5430\}\par
(( segid " " and resid 63 and name HB2 ))\par
(( segid " " and resid 96 and name HB2 ))\par
2.800 2.800 3.200 peak 5430 spectrum 2 weight 0.11000E+01 volume 0.49372E-02 ppm1 4.190 ppm2 1.921 CV 1\par
ASSI \{ 5433\}\par
(( segid " " and resid 63 and name HB2 ))\par
(( segid " " and resid 63 and name HB1 ))\par
2.200 0.600 0.600 peak 5433 spectrum 2 weight 0.11000E+01 volume 0.26199E-02 ppm1 4.172 ppm2 3.942 CV 1\par
ASSI \{ 5443\}\par
(( segid " " and resid 63 and name HB1 ))\par
(( segid " " and resid 63 and name HA ))\par
2.600 0.800 0.800 peak 5443 spectrum 2 weight 0.11000E+01 volume 0.27712E-02 ppm1 3.941 ppm2 4.709 CV 1\par
ASSI \{ 5445\}\par
(( segid " " and resid 63 and name HB1 ))\par
( segid " " and resid 59 and name HG2% )\par
2.700 0.900 0.900 peak 5445 spectrum 2 weight 0.11000E+01 volume 0.28186E-02 ppm1 3.939 ppm2 0.941 CV 1\par
ASSI \{ 5578\}\par
(( segid " " and resid 95 and name HB2 ))\par
(( segid " " and resid 94 and name HA ))\par
3.300 1.400 1.400 peak 5578 spectrum 2 weight 0.11000E+01 volume 0.45210E-02 ppm1 3.819 ppm2 4.852 CV 1\par
ASSI \{ 5581\}\par
(( segid " " and resid 95 and name HB2 ))\par
(( segid " " and resid 96 and name HA ))\par
3.400 3.400 2.600 peak 5581 spectrum 2 weight 0.11000E+01 volume 0.21659E-02 ppm1 3.802 ppm2 4.511 CV 1\par
ASSI \{ 5612\}\par
( segid " " and resid 46 and name HG2% )\par
(( segid " " and resid 77 and name HB1 ))\par
3.300 1.300 1.300 peak 5612 spectrum 2 weight 0.11000E+01 volume 0.36887E-02 ppm1 0.815 ppm2 1.872 CV 1\par
ASSI \{ 5968\}\par
(( segid " " and resid 39 and name HA ))\par
(( segid " " and resid 25 and name HA ))\par
2.800 0.900 0.900 peak 5968 spectrum 2 weight 0.11000E+01 volume 0.26010E-02 ppm1 4.438 ppm2 4.955 CV 1\par
ASSI \{ 5983\}\par
(( segid " " and resid 90 and name HA ))\par
(( segid " " and resid 90 and name HG21 ))\par
2.500 0.800 0.800 peak 5983 spectrum 2 weight 0.11000E+01 volume 0.33198E-02 ppm1 4.282 ppm2 1.142 CV 1\par
ASSI \{ 5984\}\par
(( segid " " and resid 90 and name HA ))\par
(( segid " " and resid 90 and name HG11 ))\par
2.200 2.200 3.800 peak 5984 spectrum 2 weight 0.11000E+01 volume 0.41238E-02 ppm1 4.281 ppm2 0.867 CV 1\par
\par
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