NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15353 |
1y04   |
6427 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 22}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 8.233 CV 1
ASSI { 33}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.267 ppm2 8.114 CV 1
ASSI { 35}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.079 ppm2 7.787 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.249 ppm2 8.459 CV 1
ASSI { 42}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 8.332 CV 1
ASSI { 44}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.243 ppm2 8.169 CV 1
ASSI { 50}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 8.388 CV 1
ASSI { 52}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 8.366 CV 1
ASSI { 54}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.210 ppm2 8.416 CV 1
ASSI { 56}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.519 ppm2 8.808 CV 1
ASSI { 61}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.255 ppm2 8.043 CV 1
ASSI { 63}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 8.337 CV 1
ASSI { 66}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 8.172 CV 1
ASSI { 72}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.337 ppm2 7.818 CV 1
ASSI { 78}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.229 ppm2 8.129 CV 1
ASSI { 80}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.142 ppm2 8.085 CV 1
ASSI { 84}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.275 ppm2 8.089 CV 1
ASSI { 87}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.222 ppm2 8.005 CV 1
ASSI { 90}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 8.938 CV 1
ASSI { 94}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.203 ppm2 8.503 CV 1
ASSI { 97}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.240 ppm2 7.934 CV 1
ASSI { 101}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.709 ppm2 8.577 CV 1
ASSI { 105}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.127 ppm2 8.269 CV 1
ASSI { 107}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.246 ppm2 8.529 CV 1
ASSI { 111}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 8.461 CV 1
ASSI { 113}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.501 ppm2 8.862 CV 1
ASSI { 117}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 8.616 CV 1
ASSI { 124}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.210 ppm2 8.378 CV 1
ASSI { 127}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.307 ppm2 8.244 CV 1
ASSI { 130}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.461 ppm2 8.803 CV 1
ASSI { 135}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.213 ppm2 8.080 CV 1
ASSI { 149}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.843 ppm2 8.937 CV 1
ASSI { 150}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.680 ppm2 8.937 CV 1
ASSI { 151}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.847 ppm2 2.679 CV 1
ASSI { 152}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 2.843 CV 1
ASSI { 153}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.449 ppm2 2.677 CV 1
ASSI { 155}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HN ))
6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.852 ppm2 8.862 CV 1
ASSI { 156}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.501 ppm2 3.847 CV 1
ASSI { 157}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.612 ppm2 8.808 CV 1
ASSI { 158}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.554 ppm2 8.808 CV 1
ASSI { 159}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.082 ppm2 8.808 CV 1
ASSI { 160}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.022 ppm2 8.808 CV 1
ASSI { 161}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG3 ))
6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.519 ppm2 2.606 CV 1
ASSI { 162}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG2 ))
6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.518 ppm2 2.549 CV 1
ASSI { 163}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.518 ppm2 2.077 CV 1
ASSI { 164}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.517 ppm2 2.017 CV 1
ASSI { 165}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.612 ppm2 2.021 CV 1
ASSI { 166}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.552 ppm2 2.020 CV 1
ASSI { 167}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.080 ppm2 2.019 CV 1
ASSI { 168}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.612 ppm2 2.076 CV 1
ASSI { 169}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HG2 ))
6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.616 ppm2 2.549 CV 1
ASSI { 170}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.550 ppm2 2.076 CV 1
ASSI { 171}
( segid " " and resid 5 and name HB% )
(( segid " " and resid 5 and name HN ))
6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.435 ppm2 8.617 CV 1
ASSI { 172}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HB% )
6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 1.436 CV 1
ASSI { 173}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.870 ppm2 8.578 CV 1
ASSI { 174}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB3 ))
6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.710 ppm2 2.874 CV 1
ASSI { 175}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.038 ppm2 8.530 CV 1
ASSI { 176}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HA ))
6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.249 ppm2 4.039 CV 1
ASSI { 177}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2%)
6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.246 ppm2 1.295 CV 1
ASSI { 178}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG2%)
6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.039 ppm2 1.295 CV 1
ASSI { 179}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.872 ppm2 8.504 CV 1
OR { 179}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
ASSI { 180}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 8.502 CV 1
ASSI { 181}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.636 ppm2 8.503 CV 1
ASSI { 182}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.206 ppm2 7.303 CV 1
ASSI { 183}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.225 ppm2 7.303 CV 1
OR { 183}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HE ))
ASSI { 184}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 7.303 CV 1
OR { 184}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HE ))
ASSI { 185}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 7.303 CV 1
ASSI { 186}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.636 ppm2 7.303 CV 1
ASSI { 187}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD2 ))
6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.202 ppm2 3.229 CV 1
OR { 187}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD3 ))
ASSI { 188}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.208 ppm2 1.869 CV 1
OR { 188}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 189}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HG3 ))
6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.204 ppm2 1.741 CV 1
ASSI { 190}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HG2 ))
6.000 4.500 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.204 ppm2 1.631 CV 1
ASSI { 191}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.225 ppm2 1.871 CV 1
OR { 191}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB3 ))
OR { 191}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB2 ))
OR { 191}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 192}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG3 ))
6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.223 ppm2 1.744 CV 1
OR { 192}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 193}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HG2 ))
6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.221 ppm2 1.635 CV 1
OR { 193}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 194}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HG2 ))
6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.866 ppm2 1.634 CV 1
OR { 194}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 195}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HG2 ))
6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.751 ppm2 1.639 CV 1
ASSI { 196}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HG3 ))
6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.868 ppm2 1.744 CV 1
OR { 196}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 197}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.457 ppm2 8.459 CV 1
ASSI { 198}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HB% )
6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 1.452 CV 1
ASSI { 199}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.125 ppm2 8.461 CV 1
ASSI { 200}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.294 ppm2 8.461 CV 1
ASSI { 201}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HG2%)
6.000 4.500 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.134 ppm2 1.295 CV 1
ASSI { 202}
(( segid " " and resid 13 and name HB ))
( segid " " and resid 13 and name HG2%)
6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.320 ppm2 1.295 CV 1
ASSI { 204}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.533 ppm2 8.416 CV 1
ASSI { 205}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HB% )
6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.212 ppm2 1.528 CV 1
ASSI { 206}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.552 ppm2 8.388 CV 1
ASSI { 207}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HB% )
6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 1.546 CV 1
ASSI { 208}
( segid " " and resid 7 and name HB% )
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.453 ppm2 8.366 CV 1
ASSI { 209}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HB% )
6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.259 ppm2 1.448 CV 1
ASSI { 210}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.469 ppm2 8.378 CV 1
ASSI { 211}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HB% )
6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.211 ppm2 1.464 CV 1
ASSI { 212}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 8.269 CV 1
ASSI { 213}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.682 ppm2 8.269 CV 1
OR { 213}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 214}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 8.270 CV 1
OR { 214}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 215}
(( segid " " and resid 22 and name HG3 ))
( segid " " and resid 22 and name HZ% )
6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.456 ppm2 7.708 CV 1
OR { 215}
(( segid " " and resid 22 and name HG2 ))
( segid " " and resid 22 and name HZ% )
ASSI { 216}
(( segid " " and resid 22 and name HD2 ))
( segid " " and resid 22 and name HZ% )
6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.689 ppm2 7.708 CV 1
OR { 216}
(( segid " " and resid 22 and name HD3 ))
( segid " " and resid 22 and name HZ% )
ASSI { 217}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 22 and name HZ% )
6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.939 ppm2 7.708 CV 1
OR { 217}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 22 and name HZ% )
ASSI { 218}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 22 and name HZ% )
6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.961 ppm2 7.708 CV 1
OR { 218}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 22 and name HZ% )
ASSI { 219}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HZ% )
6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.131 ppm2 7.699 CV 1
ASSI { 220}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HE2 ))
6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.130 ppm2 2.959 CV 1
OR { 220}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HE3 ))
ASSI { 221}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.128 ppm2 1.934 CV 1
OR { 221}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 222}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD3 ))
6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.125 ppm2 1.677 CV 1
OR { 222}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD2 ))
ASSI { 223}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG3 ))
6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.131 ppm2 1.442 CV 1
OR { 223}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 224}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HG3 ))
6.000 4.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.961 ppm2 1.443 CV 1
OR { 224}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HG2 ))
OR { 224}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HG3 ))
ASSI { 225}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HD3 ))
6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.962 ppm2 1.680 CV 1
OR { 225}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HD2 ))
OR { 225}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HD2 ))
ASSI { 226}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HB2 ))
6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.964 ppm2 1.934 CV 1
OR { 226}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HB2 ))
OR { 226}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 227}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HG2 ))
6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 1.442 CV 1
OR { 227}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG3 ))
OR { 227}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 228}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HG2 ))
6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.680 ppm2 1.443 CV 1
OR { 228}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HG3 ))
OR { 228}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 229}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HD2 ))
6.000 4.500 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 1.679 CV 1
OR { 229}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HD2 ))
OR { 229}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HD3 ))
OR { 229}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HD3 ))
ASSI { 230}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD3 ))
6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.416 ppm2 3.809 CV 1
ASSI { 231}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.420 ppm2 3.728 CV 1
ASSI { 232}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HD2 ))
6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 3.728 CV 1
ASSI { 233}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 2.330 CV 1
ASSI { 234}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.813 ppm2 2.330 CV 1
ASSI { 235}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.724 ppm2 2.330 CV 1
ASSI { 236}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 2.090 CV 1
ASSI { 237}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 2.006 CV 1
ASSI { 238}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 1.903 CV 1
ASSI { 239}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.725 ppm2 2.090 CV 1
ASSI { 240}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.725 ppm2 2.005 CV 1
ASSI { 241}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.724 ppm2 1.904 CV 1
ASSI { 242}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.815 ppm2 2.090 CV 1
ASSI { 243}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.815 ppm2 2.006 CV 1
ASSI { 244}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.813 ppm2 1.903 CV 1
ASSI { 245}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.337 ppm2 1.901 CV 1
ASSI { 246}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.335 ppm2 2.006 CV 1
ASSI { 247}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.331 ppm2 2.090 CV 1
ASSI { 248}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.012 ppm2 1.903 CV 1
ASSI { 249}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.094 ppm2 1.903 CV 1
ASSI { 250}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.097 ppm2 2.005 CV 1
ASSI { 251}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.378 ppm2 7.787 CV 1
ASSI { 252}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HB% )
6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.081 ppm2 1.379 CV 1
ASSI { 253}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.472 ppm2 7.933 CV 1
ASSI { 254}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HB% )
6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.241 ppm2 1.467 CV 1
ASSI { 255}
( segid " " and resid 34 and name HB% )
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 7.818 CV 1
ASSI { 256}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HB% )
6.000 4.500 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.339 ppm2 1.439 CV 1
ASSI { 257}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HB% )
6.000 4.500 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.285 ppm2 1.462 CV 1
ASSI { 258}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.280 ppm2 7.852 CV 1
ASSI { 259}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.462 ppm2 7.853 CV 1
ASSI { 260}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.008 ppm2 8.244 CV 1
ASSI { 261}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.885 ppm2 8.245 CV 1
ASSI { 262}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HZ% )
6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 7.805 CV 1
ASSI { 263}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HZ% )
6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.885 ppm2 7.805 CV 1
ASSI { 264}
(( segid " " and resid 12 and name HD3 ))
( segid " " and resid 12 and name HZ% )
6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 7.805 CV 1
ASSI { 265}
(( segid " " and resid 12 and name HD2 ))
( segid " " and resid 12 and name HZ% )
6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.651 ppm2 7.805 CV 1
ASSI { 266}
(( segid " " and resid 12 and name HG2 ))
( segid " " and resid 12 and name HZ% )
6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.497 ppm2 7.804 CV 1
OR { 266}
(( segid " " and resid 12 and name HG3 ))
( segid " " and resid 12 and name HZ% )
ASSI { 267}
(( segid " " and resid 12 and name HE2 ))
( segid " " and resid 12 and name HZ% )
6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.023 ppm2 7.806 CV 1
OR { 267}
(( segid " " and resid 12 and name HE3 ))
( segid " " and resid 12 and name HZ% )
ASSI { 268}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.308 ppm2 2.010 CV 1
ASSI { 269}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.308 ppm2 1.883 CV 1
ASSI { 270}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD3 ))
6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 1.741 CV 1
ASSI { 271}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD2 ))
6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 1.651 CV 1
ASSI { 272}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG3 ))
6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 1.488 CV 1
OR { 272}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 273}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HG3 ))
6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.021 ppm2 1.488 CV 1
OR { 273}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HG2 ))
OR { 273}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HG3 ))
ASSI { 274}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HD2 ))
6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.024 ppm2 1.648 CV 1
OR { 274}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 276}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HB2 ))
6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.018 ppm2 1.880 CV 1
OR { 276}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 277}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HB3 ))
6.000 4.500 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.024 ppm2 2.005 CV 1
OR { 277}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 278}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HE2 ))
6.000 4.500 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.312 ppm2 3.022 CV 1
OR { 278}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HE3 ))
ASSI { 279}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HG2 ))
6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.012 ppm2 1.488 CV 1
OR { 279}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HG3 ))
ASSI { 280}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG3 ))
6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.893 ppm2 1.488 CV 1
OR { 280}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 281}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HG2 ))
6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.750 ppm2 1.488 CV 1
OR { 281}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HG3 ))
ASSI { 282}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG3 ))
6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.656 ppm2 1.489 CV 1
OR { 282}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 283}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD3 ))
6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 1.741 CV 1
ASSI { 284}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HD3 ))
6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.884 ppm2 1.742 CV 1
ASSI { 285}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HD2 ))
6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.885 ppm2 1.646 CV 1
ASSI { 286}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD2 ))
6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.008 ppm2 1.649 CV 1
ASSI { 287}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HD2 ))
6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.745 ppm2 1.649 CV 1
ASSI { 288}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HB2 ))
6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.006 ppm2 1.876 CV 1
ASSI { 289}
(( segid " " and resid 23 and name HE2 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.030 ppm2 7.841 CV 1
OR { 289}
(( segid " " and resid 23 and name HE3 ))
( segid " " and resid 23 and name HZ% )
ASSI { 290}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.063 ppm2 7.840 CV 1
ASSI { 291}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 7.840 CV 1
ASSI { 292}
(( segid " " and resid 23 and name HD3 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.761 ppm2 7.841 CV 1
ASSI { 293}
(( segid " " and resid 23 and name HD2 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.658 ppm2 7.842 CV 1
ASSI { 294}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.512 ppm2 7.840 CV 1
ASSI { 295}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.065 ppm2 8.041 CV 1
ASSI { 296}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 8.042 CV 1
ASSI { 297}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.761 ppm2 8.041 CV 1
ASSI { 298}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.512 ppm2 8.042 CV 1
ASSI { 299}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.065 ppm2 1.504 CV 1
ASSI { 300}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.900 ppm2 1.507 CV 1
ASSI { 301}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.763 ppm2 1.504 CV 1
ASSI { 302}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.659 ppm2 1.505 CV 1
ASSI { 304}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD2 ))
6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.900 ppm2 1.655 CV 1
ASSI { 305}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD3 ))
6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.894 ppm2 1.760 CV 1
ASSI { 306}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD3 ))
6.000 4.500 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.063 ppm2 1.759 CV 1
ASSI { 307}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD2 ))
6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.063 ppm2 1.653 CV 1
ASSI { 308}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.063 ppm2 1.895 CV 1
ASSI { 309}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.028 ppm2 2.061 CV 1
OR { 309}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 310}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.500 0.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.030 ppm2 1.896 CV 1
OR { 310}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 312}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HD2 ))
6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.033 ppm2 1.654 CV 1
OR { 312}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 313}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.033 ppm2 1.504 CV 1
OR { 313}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 314}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 1.508 CV 1
ASSI { 315}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HD2 ))
6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.248 ppm2 1.655 CV 1
ASSI { 316}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HD3 ))
6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.247 ppm2 1.756 CV 1
ASSI { 317}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.250 ppm2 1.896 CV 1
ASSI { 318}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.250 ppm2 2.061 CV 1
ASSI { 319}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HE3 ))
6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.258 ppm2 3.030 CV 1
OR { 319}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HE2 ))
ASSI { 320}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.479 ppm2 8.004 CV 1
ASSI { 321}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HB% )
6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.224 ppm2 1.475 CV 1
ASSI { 322}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 8.233 CV 1
ASSI { 323}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HB% )
6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.257 ppm2 1.516 CV 1
ASSI { 324}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 8.089 CV 1
OR { 324}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
ASSI { 326}
(( segid " " and resid 18 and name HG ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.712 ppm2 8.089 CV 1
ASSI { 327}
( segid " " and resid 18 and name HD2%)
( segid " " and resid 18 and name HD1%)
6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.978 ppm2 0.930 CV 1
ASSI { 328}
(( segid " " and resid 18 and name HG ))
( segid " " and resid 18 and name HD1%)
6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.711 ppm2 0.930 CV 1
ASSI { 329}
(( segid " " and resid 18 and name HG ))
( segid " " and resid 18 and name HD2%)
6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.711 ppm2 0.973 CV 1
ASSI { 330}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD2%)
6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 0.971 CV 1
OR { 330}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HD2%)
ASSI { 331}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HD1%)
6.000 4.500 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 0.930 CV 1
OR { 331}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD1%)
ASSI { 332}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HG ))
6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 1.704 CV 1
OR { 332}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HG ))
ASSI { 333}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.269 ppm2 1.785 CV 1
OR { 333}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 334}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG ))
6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.269 ppm2 1.710 CV 1
ASSI { 335}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD2%)
6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.275 ppm2 0.973 CV 1
ASSI { 336}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD1%)
6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.275 ppm2 0.928 CV 1
ASSI { 337}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.269 ppm2 8.040 CV 1
ASSI { 338}
( segid " " and resid 25 and name HB% )
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.498 ppm2 8.040 CV 1
ASSI { 339}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HB% )
6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.270 ppm2 1.493 CV 1
ASSI { 340}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HB% )
6.000 4.500 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.142 ppm2 1.540 CV 1
ASSI { 341}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.545 ppm2 8.083 CV 1
ASSI { 342}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.566 ppm2 8.079 CV 1
ASSI { 343}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HB% )
6.000 4.500 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.213 ppm2 1.564 CV 1
ASSI { 344}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.535 ppm2 8.173 CV 1
ASSI { 345}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 17 and name HN ))
6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 8.169 CV 1
ASSI { 346}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HB% )
6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 1.529 CV 1
ASSI { 347}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HB% )
6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.243 ppm2 1.515 CV 1
ASSI { 349}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 8.128 CV 1
ASSI { 350}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HB% )
6.000 4.500 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.227 ppm2 1.514 CV 1
ASSI { 351}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.520 ppm2 8.114 CV 1
ASSI { 352}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HB% )
6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.266 ppm2 1.518 CV 1
ASSI { 353}
(( segid " " and resid 8 and name HH22))
(( segid " " and resid 8 and name HH11))
6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.568 ppm2 7.012 CV 1
ASSI { 354}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HA ))
6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.321 ppm2 4.126 CV 1
ASSI { 355}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.501 ppm2 8.808 CV 1
ASSI { 356}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.852 ppm2 8.808 CV 1
ASSI { 357}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HN ))
6.000 4.500 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.892 ppm2 8.862 CV 1
ASSI { 358}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.892 ppm2 8.807 CV 1
ASSI { 359}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB3 ))
6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.501 ppm2 3.887 CV 1
ASSI { 360}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.870 ppm2 8.804 CV 1
ASSI { 361}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.687 ppm2 8.804 CV 1
ASSI { 362}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.870 ppm2 2.683 CV 1
ASSI { 363}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 2.682 CV 1
ASSI { 364}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 2.865 CV 1
ASSI { 365}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
2.500 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.52499E-01 ppm1 4.519 ppm2 8.577 CV 1
ASSI { 366}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.612 ppm2 8.577 CV 1
ASSI { 367}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.554 ppm2 8.579 CV 1
ASSI { 368}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 4 and name HN ))
4.000 2.000 2.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.28281E-02 ppm1 2.022 ppm2 8.579 CV 1
ASSI { 369}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 4 and name HN ))
3.500 1.500 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.67240E-02 ppm1 2.082 ppm2 8.579 CV 1
ASSI { 370}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
3.200 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.10089E-01 ppm1 8.580 ppm2 8.809 CV 1
ASSI { 371}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.45239E-01 ppm1 4.709 ppm2 8.617 CV 1
ASSI { 372}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.25041E-01 ppm1 2.870 ppm2 8.618 CV 1
ASSI { 373}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.11133E-01 ppm1 4.452 ppm2 3.809 CV 1
ASSI { 374}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD2 ))
3.300 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.97609E-02 ppm1 4.449 ppm2 3.728 CV 1
ASSI { 375}
(( segid " " and resid 6 and name HD3 ))
( segid " " and resid 5 and name HB% )
2.800 1.000 1.000 peak 375 spectrum 1 weight 0.11000E+02 volume 0.26135E-01 ppm1 3.811 ppm2 1.436 CV 1
ASSI { 376}
(( segid " " and resid 6 and name HD2 ))
( segid " " and resid 5 and name HB% )
2.900 1.000 1.000 peak 376 spectrum 1 weight 0.11000E+02 volume 0.21535E-01 ppm1 3.726 ppm2 1.436 CV 1
ASSI { 377}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.30721E-01 ppm1 4.411 ppm2 8.366 CV 1
ASSI { 378}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 7 and name HN ))
3.900 1.900 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.31796E-02 ppm1 3.809 ppm2 8.366 CV 1
ASSI { 379}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 7 and name HN ))
3.300 1.400 1.400 peak 379 spectrum 1 weight 0.11000E+02 volume 0.92250E-02 ppm1 3.724 ppm2 8.366 CV 1
ASSI { 380}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.500 1.500 1.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.68214E-02 ppm1 2.331 ppm2 8.366 CV 1
ASSI { 381}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HN ))
3.900 1.900 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.31473E-02 ppm1 2.087 ppm2 8.365 CV 1
ASSI { 382}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HN ))
3.700 1.700 1.700 peak 382 spectrum 1 weight 0.11000E+02 volume 0.45594E-02 ppm1 2.007 ppm2 8.366 CV 1
ASSI { 383}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
3.000 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.16936E-01 ppm1 1.904 ppm2 8.366 CV 1
ASSI { 384}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.259 ppm2 8.503 CV 1
ASSI { 385}
( segid " " and resid 7 and name HB% )
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.453 ppm2 8.503 CV 1
ASSI { 386}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.12280E-01 ppm1 8.363 ppm2 8.502 CV 1
ASSI { 387}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.33642E-01 ppm1 4.203 ppm2 8.459 CV 1
ASSI { 388}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.217 ppm2 8.505 CV 1
OR { 388}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HN ))
ASSI { 389}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.872 ppm2 8.459 CV 1
OR { 389}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
ASSI { 390}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 9 and name HN ))
3.800 1.800 1.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.36771E-02 ppm1 1.747 ppm2 8.460 CV 1
ASSI { 391}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.636 ppm2 8.459 CV 1
ASSI { 392}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.250 ppm2 8.378 CV 1
ASSI { 393}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 393 spectrum 1 weight 0.10000E+01 volume 0.12062E-01 ppm1 8.379 ppm2 8.459 CV 1
ASSI { 394}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.459 ppm2 8.378 CV 1
ASSI { 395}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.210 ppm2 8.337 CV 1
ASSI { 396}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.467 ppm2 8.337 CV 1
ASSI { 397}
( segid " " and resid 11 and name HB% )
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.470 ppm2 8.337 CV 1
ASSI { 398}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HB% )
6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 1.466 CV 1
ASSI { 399}
( segid " " and resid 11 and name HB% )
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.470 ppm2 8.244 CV 1
ASSI { 400}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 8.244 CV 1
ASSI { 401}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.18224E-01 ppm1 8.244 ppm2 8.338 CV 1
ASSI { 402}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.307 ppm2 8.461 CV 1
ASSI { 403}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.900 1.100 1.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.19548E-01 ppm1 2.008 ppm2 8.460 CV 1
ASSI { 404}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.885 ppm2 8.460 CV 1
ASSI { 405}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 8.245 CV 1
ASSI { 406}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.748 ppm2 8.245 CV 1
ASSI { 407}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 8.461 CV 1
ASSI { 408}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
3.100 1.200 1.200 peak 408 spectrum 1 weight 0.10000E+01 volume 0.12421E-01 ppm1 8.245 ppm2 8.461 CV 1
ASSI { 409}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HB% )
6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 1.481 CV 1
ASSI { 410}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.487 ppm2 8.331 CV 1
ASSI { 411}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.18733E-01 ppm1 4.319 ppm2 8.332 CV 1
ASSI { 412}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.000 1.200 1.200 peak 412 spectrum 1 weight 0.10000E+01 volume 0.14904E-01 ppm1 4.125 ppm2 8.332 CV 1
ASSI { 413}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.10075E-01 ppm1 1.294 ppm2 8.331 CV 1
ASSI { 414}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
3.300 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.97516E-02 ppm1 8.336 ppm2 8.461 CV 1
ASSI { 415}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.487 ppm2 8.416 CV 1
ASSI { 416}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 8.417 CV 1
ASSI { 417}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 16 and name HN ))
2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.33084E-01 ppm1 1.533 ppm2 8.803 CV 1
ASSI { 418}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
3.600 1.700 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.50065E-02 ppm1 4.210 ppm2 8.803 CV 1
ASSI { 419}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.20769E-01 ppm1 8.416 ppm2 8.803 CV 1
ASSI { 420}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 420 spectrum 1 weight 0.10000E+01 volume 0.14523E-01 ppm1 4.459 ppm2 8.170 CV 1
ASSI { 421}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.18653E-01 ppm1 2.871 ppm2 8.170 CV 1
ASSI { 422}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.15989E-01 ppm1 2.686 ppm2 8.170 CV 1
ASSI { 423}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.21349E-01 ppm1 8.169 ppm2 8.802 CV 1
ASSI { 424}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 8.089 CV 1
ASSI { 425}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.243 ppm2 8.089 CV 1
ASSI { 426}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.19375E-01 ppm1 8.092 ppm2 8.170 CV 1
ASSI { 427}
(( segid " " and resid 18 and name HG ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.712 ppm2 8.084 CV 1
ASSI { 428}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 8.084 CV 1
ASSI { 429}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.275 ppm2 8.084 CV 1
ASSI { 430}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.142 ppm2 8.234 CV 1
ASSI { 431}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.545 ppm2 8.234 CV 1
ASSI { 432}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.085 ppm2 8.235 CV 1
ASSI { 433}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 8.080 CV 1
ASSI { 434}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 8.080 CV 1
ASSI { 435}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.087 ppm2 8.234 CV 1
ASSI { 436}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.213 ppm2 8.269 CV 1
ASSI { 437}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.566 ppm2 8.269 CV 1
ASSI { 438}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 8.042 CV 1
OR { 438}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 439}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.682 ppm2 8.042 CV 1
OR { 439}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 440}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 8.042 CV 1
OR { 440}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 441}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.23593E-01 ppm1 4.127 ppm2 8.042 CV 1
ASSI { 442}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.21248E-01 ppm1 8.042 ppm2 8.269 CV 1
ASSI { 443}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 8.529 CV 1
ASSI { 444}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.18202E-01 ppm1 2.065 ppm2 8.529 CV 1
ASSI { 445}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 8.530 CV 1
ASSI { 446}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.758 ppm2 8.530 CV 1
ASSI { 447}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 8.528 CV 1
ASSI { 448}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10155E-01 ppm1 1.511 ppm2 8.531 CV 1
ASSI { 449}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.030 ppm2 1.449 CV 1
OR { 449}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 450}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.066 ppm2 1.450 CV 1
ASSI { 451}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.896 ppm2 1.448 CV 1
ASSI { 452}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.763 ppm2 1.448 CV 1
ASSI { 453}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.658 ppm2 1.449 CV 1
ASSI { 454}
(( segid " " and resid 23 and name HG3 ))
( segid " " and resid 23 and name HZ% )
6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.452 ppm2 7.842 CV 1
ASSI { 455}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.452 ppm2 8.043 CV 1
ASSI { 456}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.455 ppm2 8.530 CV 1
ASSI { 457}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 1.448 CV 1
ASSI { 458}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.293 ppm2 8.531 CV 1
ASSI { 459}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.040 ppm2 8.531 CV 1
ASSI { 460}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.245 ppm2 8.040 CV 1
ASSI { 461}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.15697E-01 ppm1 4.038 ppm2 8.039 CV 1
ASSI { 462}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HN ))
3.000 1.200 1.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15072E-01 ppm1 1.293 ppm2 8.040 CV 1
ASSI { 463}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.045 ppm2 8.531 CV 1
ASSI { 464}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.269 ppm2 8.389 CV 1
ASSI { 465}
( segid " " and resid 25 and name HB% )
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.498 ppm2 8.389 CV 1
ASSI { 466}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.800 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.26803E-01 ppm1 8.040 ppm2 8.387 CV 1
ASSI { 467}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.26241E-01 ppm1 1.552 ppm2 8.937 CV 1
ASSI { 468}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.24762E-01 ppm1 4.251 ppm2 8.937 CV 1
ASSI { 469}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 8.937 CV 1
ASSI { 470}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.449 ppm2 8.114 CV 1
ASSI { 471}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23174E-01 ppm1 2.845 ppm2 8.115 CV 1
ASSI { 472}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.17924E-01 ppm1 2.679 ppm2 8.114 CV 1
ASSI { 473}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.25462E-01 ppm1 8.112 ppm2 8.936 CV 1
ASSI { 474}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.267 ppm2 8.172 CV 1
ASSI { 475}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.520 ppm2 8.173 CV 1
ASSI { 476}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.257 ppm2 8.128 CV 1
ASSI { 477}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.535 ppm2 8.129 CV 1
ASSI { 478}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.229 ppm2 8.005 CV 1
ASSI { 479}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 8.005 CV 1
ASSI { 480}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.40233E-01 ppm1 8.003 ppm2 8.130 CV 1
ASSI { 481}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.221 ppm2 7.934 CV 1
ASSI { 482}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.479 ppm2 7.934 CV 1
ASSI { 483}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.28321E-01 ppm1 7.931 ppm2 8.005 CV 1
ASSI { 484}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.15586E-01 ppm1 4.240 ppm2 7.852 CV 1
ASSI { 485}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.472 ppm2 7.853 CV 1
ASSI { 486}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.32845E-01 ppm1 7.851 ppm2 7.934 CV 1
ASSI { 487}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13262E-01 ppm1 4.280 ppm2 7.818 CV 1
ASSI { 488}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 34 and name HN ))
6.000 4.500 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.461 ppm2 7.818 CV 1
ASSI { 489}
( segid " " and resid 34 and name HB% )
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 7.787 CV 1
ASSI { 490}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.450 ppm2 8.579 CV 1
ASSI { 491}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HD22))
6.000 4.500 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.870 ppm2 7.802 CV 1
ASSI { 492}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HD22))
6.000 4.500 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.709 ppm2 7.800 CV 1
ASSI { 493}
(( segid " " and resid 4 and name HD21))
(( segid " " and resid 4 and name HD22))
6.000 4.500 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.053 ppm2 7.802 CV 1
ASSI { 494}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HD21))
6.000 4.500 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.709 ppm2 7.052 CV 1
ASSI { 495}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HD21))
6.000 4.500 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.870 ppm2 7.054 CV 1
ASSI { 496}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HD21))
6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.449 ppm2 7.054 CV 1
ASSI { 497}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HB2 ))
6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.875 ppm2 1.450 CV 1
ASSI { 498}
(( segid " " and resid 8 and name HH12))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.002 ppm2 7.304 CV 1
OR { 498}
(( segid " " and resid 8 and name HH11))
(( segid " " and resid 8 and name HE ))
ASSI { 501}
(( segid " " and resid 8 and name HH21))
(( segid " " and resid 8 and name HE ))
6.000 4.500 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.566 ppm2 7.304 CV 1
ASSI { 503}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HN ))
3.400 1.400 1.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.78749E-02 ppm1 4.038 ppm2 8.939 CV 1
ASSI { 504}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.35785E-02 ppm1 8.042 ppm2 8.939 CV 1
ASSI { 505}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.31761E-02 ppm1 8.164 ppm2 8.939 CV 1
ASSI { 506}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HN ))
3.600 1.600 1.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.55952E-02 ppm1 8.088 ppm2 8.804 CV 1
ASSI { 507}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HN ))
3.900 1.900 1.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.35616E-02 ppm1 4.130 ppm2 8.804 CV 1
ASSI { 510}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.298 ppm2 8.419 CV 1
ASSI { 513}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 17 and name HN ))
4.100 2.100 1.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 1.297 ppm2 8.170 CV 1
ASSI { 515}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.35059E-02 ppm1 1.788 ppm2 8.173 CV 1
OR { 515}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 17 and name HN ))
ASSI { 518}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 5 and name HN ))
3.100 1.200 1.200 peak 518 spectrum 1 weight 0.11000E+02 volume 0.12717E-01 ppm1 3.725 ppm2 8.617 CV 1
ASSI { 519}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 5 and name HN ))
3.100 1.200 1.200 peak 519 spectrum 1 weight 0.11000E+02 volume 0.13001E-01 ppm1 3.814 ppm2 8.617 CV 1
ASSI { 520}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HN ))
4.100 2.100 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.24877E-02 ppm1 4.043 ppm2 8.388 CV 1
ASSI { 521}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HN ))
3.800 1.800 1.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.36461E-02 ppm1 4.128 ppm2 8.389 CV 1
ASSI { 522}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.130 ppm2 8.417 CV 1
ASSI { 523}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HN ))
4.300 2.300 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.19959E-02 ppm1 4.131 ppm2 8.532 CV 1
ASSI { 526}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HN ))
4.200 2.200 1.800 peak 526 spectrum 1 weight 0.11000E+02 volume 0.20415E-02 ppm1 4.450 ppm2 8.505 CV 1
ASSI { 527}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HN ))
3.900 1.900 1.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.34159E-02 ppm1 4.412 ppm2 8.460 CV 1
ASSI { 528}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 9 and name HN ))
5.100 3.300 0.900 peak 528 spectrum 1 weight 0.11000E+02 volume 0.65690E-03 ppm1 4.451 ppm2 8.460 CV 1
ASSI { 529}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HN ))
4.400 2.400 1.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16714E-02 ppm1 4.462 ppm2 8.416 CV 1
ASSI { 530}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.312 ppm2 8.418 CV 1
ASSI { 531}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.43673E-02 ppm1 4.460 ppm2 8.236 CV 1
ASSI { 532}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 1.600 1.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.61308E-02 ppm1 4.131 ppm2 8.170 CV 1
ASSI { 533}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 28 and name HN ))
3.600 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.52721E-02 ppm1 4.036 ppm2 8.113 CV 1
ASSI { 535}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
3.900 1.900 1.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.35532E-02 ppm1 8.270 ppm2 8.532 CV 1
ASSI { 536}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.15728E-01 ppm1 8.078 ppm2 8.270 CV 1
ASSI { 537}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HN ))
3.500 1.600 1.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.59847E-02 ppm1 7.935 ppm2 8.130 CV 1
ASSI { 538}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 31 and name HN ))
3.600 1.600 1.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.54713E-02 ppm1 7.852 ppm2 8.007 CV 1
ASSI { 539}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 31 and name HN ))
3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.31225E-02 ppm1 4.452 ppm2 8.006 CV 1
ASSI { 540}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.21389E-01 ppm1 4.338 ppm2 7.789 CV 1
ASSI { 541}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HN ))
3.900 1.900 1.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.34270E-02 ppm1 4.246 ppm2 7.792 CV 1
ASSI { 546}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 4 and name HB3 ))
3.600 1.700 1.700 peak 546 spectrum 1 weight 0.11000E+02 volume 0.50197E-02 ppm1 3.724 ppm2 2.873 CV 1
ASSI { 547}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 4 and name HB3 ))
4.300 2.300 1.700 peak 547 spectrum 1 weight 0.11000E+02 volume 0.19419E-02 ppm1 3.813 ppm2 2.873 CV 1
ASSI { 548}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB3 ))
3.000 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.16081E-01 ppm1 4.038 ppm2 2.844 CV 1
ASSI { 549}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB3 ))
3.300 1.400 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.84060E-02 ppm1 4.131 ppm2 2.874 CV 1
ASSI { 554}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.400 1.500 1.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.74101E-02 ppm1 4.129 ppm2 2.678 CV 1
ASSI { 555}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.400 1.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.78262E-02 ppm1 4.039 ppm2 2.677 CV 1
ASSI { 556}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HB2 ))
3.300 1.400 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.90523E-02 ppm1 4.450 ppm2 1.868 CV 1
OR { 556}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 557}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.28114E-01 ppm1 4.211 ppm2 1.786 CV 1
OR { 557}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 558}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 18 and name HD1%)
3.300 1.300 1.300 peak 558 spectrum 1 weight 0.11000E+02 volume 0.93755E-02 ppm1 2.959 ppm2 0.929 CV 1
OR { 558}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 18 and name HD1%)
ASSI { 559}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 18 and name HD2%)
3.400 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.77421E-02 ppm1 2.959 ppm2 0.973 CV 1
OR { 559}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 18 and name HD2%)
ASSI { 560}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 18 and name HD2%)
3.500 1.500 1.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.66797E-02 ppm1 4.211 ppm2 0.973 CV 1
ASSI { 561}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 18 and name HD1%)
3.500 1.600 1.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.61175E-02 ppm1 4.208 ppm2 0.933 CV 1
ASSI { 563}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 18 and name HD2%)
4.400 2.400 1.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16804E-02 ppm1 4.135 ppm2 0.973 CV 1
ASSI { 564}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 25 and name HB% )
6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.126 ppm2 1.507 CV 1
ASSI { 565}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 35 and name HB% )
3.100 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.12629E-01 ppm1 4.246 ppm2 1.382 CV 1
ASSI { 566}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 9 and name HB% )
3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.15395E-01 ppm1 4.412 ppm2 1.457 CV 1
ASSI { 569}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 5 and name HB% )
4.100 2.100 1.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 4.711 ppm2 1.437 CV 1
ASSI { 578}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.500 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.59227E-02 ppm1 4.140 ppm2 1.789 CV 1
OR { 578}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 584}
( segid " " and resid 18 and name HD1%)
( segid " " and resid 21 and name HB% )
3.800 1.800 1.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.41557E-02 ppm1 0.931 ppm2 1.571 CV 1
ASSI { 587}
( segid " " and resid 18 and name HD2%)
( segid " " and resid 21 and name HB% )
3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.42163E-02 ppm1 0.974 ppm2 1.569 CV 1
ASSI { 589}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.30628E-02 ppm1 4.267 ppm2 8.802 CV 1
ASSI { 590}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 8 and name HN ))
5.200 3.400 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.59405E-03 ppm1 4.415 ppm2 8.504 CV 1
ASSI { 591}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HN ))
4.800 2.900 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.96725E-03 ppm1 1.296 ppm2 8.247 CV 1
ASSI { 592}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 28 and name HN ))
4.200 2.200 1.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 1.298 ppm2 8.115 CV 1
ASSI { 594}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 16 and name HN ))
4.800 2.800 1.200 peak 594 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 1.295 ppm2 8.805 CV 1
ASSI { 595}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 27 and name HN ))
4.800 2.900 1.200 peak 595 spectrum 1 weight 0.10000E+01 volume 0.98800E-03 ppm1 1.296 ppm2 8.939 CV 1
ASSI { 596}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HN ))
4.600 2.600 1.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 8.806 ppm2 8.464 CV 1
ASSI { 597}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 28 and name HN ))
4.200 2.200 1.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.22890E-02 ppm1 8.386 ppm2 8.116 CV 1
ASSI { 600}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 27 and name HN ))
4.600 2.600 1.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 8.529 ppm2 8.939 CV 1
ASSI { 601}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 8.578 CV 1
ASSI { 604}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 6 and name HD2 ))
5.100 3.300 0.900 peak 604 spectrum 1 weight 0.11000E+02 volume 0.66842E-03 ppm1 4.710 ppm2 3.726 CV 1
ASSI { 605}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
4.700 2.700 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 4.709 ppm2 1.451 CV 1
ASSI { 606}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HG2 ))
4.600 2.700 1.400 peak 606 spectrum 1 weight 0.11000E+02 volume 0.11991E-02 ppm1 4.451 ppm2 1.632 CV 1
ASSI { 607}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HG3 ))
4.700 2.800 1.300 peak 607 spectrum 1 weight 0.10000E+01 volume 0.10722E-02 ppm1 4.451 ppm2 1.741 CV 1
ASSI { 608}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 7 and name HN ))
4.800 2.900 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.94509E-03 ppm1 2.865 ppm2 8.367 CV 1
ASSI { 609}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 15 and name HN ))
4.500 2.500 1.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.782 ppm2 8.418 CV 1
OR { 609}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 15 and name HN ))
ASSI { 610}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.700 2.800 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 2.871 ppm2 8.417 CV 1
ASSI { 611}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 15 and name HN ))
5.200 3.400 0.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.57457E-03 ppm1 2.693 ppm2 8.419 CV 1
ASSI { 612}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.970 ppm2 8.270 CV 1
ASSI { 613}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.933 ppm2 8.270 CV 1
ASSI { 618}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.063 ppm2 8.270 CV 1
ASSI { 620}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 5 and name HN ))
6.000 4.500 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.087 ppm2 8.616 CV 1
ASSI { 621}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.963 ppm2 8.272 CV 1
OR { 621}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 627}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.700 1.700 1.700 peak 627 spectrum 1 weight 0.11000E+02 volume 0.48338E-02 ppm1 2.869 ppm2 8.462 CV 1
ASSI { 629}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.884 ppm2 8.418 CV 1
ASSI { 630}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.007 ppm2 8.416 CV 1
ASSI { 633}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 21 and name HB% )
6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.960 ppm2 1.566 CV 1
OR { 633}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 21 and name HB% )
ASSI { 634}
(( segid " " and resid 4 and name HD22))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.797 ppm2 8.575 CV 1
ASSI { 348}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HB% )
6.000 4.500 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.244 ppm2 1.510 CV 1
OR { 348}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HB% )
OR { 348}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HB% )
ASSI { 502}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 27 and name HN ))
3.200 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.11819E-01 ppm1 1.514 ppm2 8.938 CV 1
OR { 502}
( segid " " and resid 25 and name HB% )
(( segid " " and resid 27 and name HN ))
OR { 502}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 27 and name HN ))
OR { 502}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 27 and name HN ))
ASSI { 508}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 18 and name HN ))
3.300 1.400 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.89461E-02 ppm1 0.930 ppm2 8.089 CV 1
OR { 508}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 19 and name HN ))
ASSI { 509}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 18 and name HN ))
3.300 1.300 1.300 peak 509 spectrum 1 weight 0.10000E+01 volume 0.94379E-02 ppm1 0.970 ppm2 8.089 CV 1
OR { 509}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 19 and name HN ))
ASSI { 511}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 26 and name HN ))
4.000 2.000 2.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.29219E-02 ppm1 1.297 ppm2 8.383 CV 1
OR { 511}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 10 and name HN ))
ASSI { 512}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 8.531 CV 1
OR { 512}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 24 and name HN ))
ASSI { 514}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.883 ppm2 8.338 CV 1
OR { 514}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 11 and name HN ))
OR { 514}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 534}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 8.088 CV 1
OR { 534}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 18 and name HN ))
ASSI { 542}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 34 and name HN ))
3.400 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.80033E-02 ppm1 4.228 ppm2 7.819 CV 1
OR { 542}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HN ))
ASSI { 543}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.500 1.500 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.67240E-02 ppm1 1.931 ppm2 8.080 CV 1
OR { 543}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HN ))
OR { 543}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 551}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HB3 ))
4.000 2.000 2.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 4.263 ppm2 2.875 CV 1
OR { 551}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 4 and name HB3 ))
ASSI { 552}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 27 and name HB3 ))
3.700 1.700 1.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.45682E-02 ppm1 4.260 ppm2 2.845 CV 1
OR { 552}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 27 and name HB3 ))
ASSI { 553}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.700 1.700 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.43540E-02 ppm1 4.262 ppm2 2.678 CV 1
OR { 553}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 27 and name HB2 ))
OR { 553}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 27 and name HB2 ))
OR { 553}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HB2 ))
OR { 553}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 562}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 18 and name HD1%)
4.500 2.500 1.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13935E-02 ppm1 4.137 ppm2 0.932 CV 1
OR { 562}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 18 and name HD1%)
ASSI { 567}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 30 and name HB% )
2.700 0.900 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.33544E-01 ppm1 4.451 ppm2 1.521 CV 1
OR { 567}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 15 and name HB% )
ASSI { 568}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 19 and name HB% )
2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.26369E-01 ppm1 4.464 ppm2 1.543 CV 1
OR { 568}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 26 and name HB% )
OR { 568}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 15 and name HB% )
ASSI { 570}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 17 and name HB% )
2.900 1.100 1.100 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17963E-01 ppm1 2.682 ppm2 1.531 CV 1
OR { 570}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 26 and name HB% )
OR { 570}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 28 and name HB% )
OR { 570}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 15 and name HB% )
ASSI { 571}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 15 and name HB% )
3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10699E-01 ppm1 2.864 ppm2 1.533 CV 1
OR { 571}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 17 and name HB% )
ASSI { 572}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 28 and name HB% )
3.700 1.700 1.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.46302E-02 ppm1 2.845 ppm2 1.518 CV 1
OR { 572}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 30 and name HB% )
ASSI { 574}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 12 and name HG3 ))
3.700 1.700 1.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.48870E-02 ppm1 2.861 ppm2 1.475 CV 1
OR { 574}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 31 and name HB% )
OR { 574}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 12 and name HG2 ))
OR { 574}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 14 and name HB% )
ASSI { 575}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 25 and name HB% )
3.600 1.600 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.51658E-02 ppm1 2.683 ppm2 1.478 CV 1
OR { 575}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 14 and name HB% )
OR { 575}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 31 and name HB% )
OR { 575}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HG3 ))
OR { 575}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 577}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 23 and name HG2 ))
3.300 1.300 1.300 peak 577 spectrum 1 weight 0.10000E+01 volume 0.95971E-02 ppm1 4.034 ppm2 1.523 CV 1
OR { 577}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 28 and name HB% )
ASSI { 585}
( segid " " and resid 18 and name HD1%)
( segid " " and resid 17 and name HB% )
3.600 1.600 1.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.57058E-02 ppm1 0.930 ppm2 1.537 CV 1
OR { 585}
( segid " " and resid 18 and name HD1%)
( segid " " and resid 15 and name HB% )
OR { 585}
( segid " " and resid 18 and name HD1%)
( segid " " and resid 19 and name HB% )
ASSI { 586}
( segid " " and resid 18 and name HD2%)
( segid " " and resid 19 and name HB% )
3.500 1.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.62769E-02 ppm1 0.976 ppm2 1.535 CV 1
OR { 586}
( segid " " and resid 18 and name HD2%)
( segid " " and resid 15 and name HB% )
OR { 586}
( segid " " and resid 18 and name HD2%)
( segid " " and resid 17 and name HB% )
ASSI { 588}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.29702E-02 ppm1 4.317 ppm2 8.804 CV 1
OR { 588}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 16 and name HN ))
ASSI { 593}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 21 and name HN ))
4.300 2.300 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.18149E-02 ppm1 1.298 ppm2 8.091 CV 1
OR { 593}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 18 and name HN ))
ASSI { 603}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.63654E-02 ppm1 4.450 ppm2 8.129 CV 1
OR { 603}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HN ))
ASSI { 616}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.532 ppm2 8.244 CV 1
OR { 616}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 20 and name HN ))
ASSI { 617}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.549 ppm2 8.043 CV 1
OR { 617}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 23 and name HN ))
OR { 617}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 23 and name HN ))
OR { 617}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 25 and name HN ))
ASSI { 631}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.010 ppm2 8.338 CV 1
OR { 631}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 14 and name HN ))
ASSI { 632}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.520 ppm2 7.934 CV 1
OR { 632}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 32 and name HN ))
OR { 632}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 32 and name HN ))
Contact the webmaster for help, if required. Saturday, May 11, 2024 10:07:14 AM GMT (wattos1)