Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
627995 | 6cku RC | 30422 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: noesy2d_h2o.tbl
ASSI { 7}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.400 1.600 1.600 peak 6 weight 1.000000E+00 volume 7.26000E-02 ppm1 9.791 ppm2 2.810 CV 1
ASSI { 8}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.400 1.600 1.600 peak 7 weight 1.000000E+00 volume 5.12000E-02 ppm1 9.790 ppm2 2.706 CV 1
ASSI { 9}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
3.400 1.600 1.600 peak 8 weight 1.000000E+00 volume 5.95700E-01 ppm1 9.790 ppm2 5.513 CV 1
ASSI { 12}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA2 ))
3.400 1.600 1.600 peak 11 weight 1.000000E+00 volume 1.01580E+00 ppm1 8.486 ppm2 4.611 CV 1
ASSI { 13}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA1 ))
3.400 1.600 1.600 peak 12 weight 1.000000E+00 volume 1.50100E+00 ppm1 8.480 ppm2 3.691 CV 1
ASSI { 21}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 15 and name HB ))
3.400 1.600 1.600 peak 20 weight 1.000000E+00 volume 2.41100E-01 ppm1 9.791 ppm2 3.728 CV 1
ASSI { 23}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 22 weight 1.000000E+00 volume 6.23000E-02 ppm1 9.790 ppm2 1.269 CV 1
ASSI { 25}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
3.400 1.600 1.600 peak 24 weight 1.000000E+00 volume 2.28590E+00 ppm1 8.934 ppm2 4.517 CV 1
ASSI { 26}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB ))
3.400 1.600 1.600 peak 25 weight 1.000000E+00 volume 7.28000E-02 ppm1 8.934 ppm2 3.737 CV 1
ASSI { 27}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 26 weight 1.000000E+00 volume 1.15660E+00 ppm1 8.935 ppm2 1.257 CV 1
ASSI { 32}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.400 1.600 1.600 peak 31 weight 1.000000E+00 volume 1.48590E+00 ppm1 9.244 ppm2 5.173 CV 1
ASSI { 35}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.600 1.600 peak 34 weight 1.000000E+00 volume 1.03200E-01 ppm1 9.247 ppm2 2.734 CV 1
ASSI { 36}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.400 1.600 1.600 peak 35 weight 1.000000E+00 volume 6.03800E-01 ppm1 9.253 ppm2 3.160 CV 1
ASSI { 38}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.400 1.600 1.600 peak 37 weight 1.000000E+00 volume 7.27400E-01 ppm1 8.677 ppm2 4.774 CV 1
ASSI { 43}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 42 weight 1.000000E+00 volume 5.44700E-01 ppm1 8.678 ppm2 2.425 CV 1
ASSI { 44}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG1 ))
3.400 1.600 1.600 peak 43 weight 1.000000E+00 volume 3.18100E-01 ppm1 8.677 ppm2 2.107 CV 1
ASSI { 45}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.400 1.600 1.600 peak 44 weight 1.000000E+00 volume 5.25000E-02 ppm1 8.682 ppm2 1.984 CV 1
ASSI { 46}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.600 1.600 peak 45 weight 1.000000E+00 volume 1.01750E+00 ppm1 8.677 ppm2 1.857 CV 1
ASSI { 47}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.400 1.600 1.600 peak 46 weight 1.000000E+00 volume 1.17900E-01 ppm1 8.685 ppm2 2.544 CV 1
ASSI { 48}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.400 1.600 1.600 peak 47 weight 1.000000E+00 volume 7.63000E-02 ppm1 8.686 ppm2 2.714 CV 1
ASSI { 50}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA1 ))
3.400 1.600 1.600 peak 49 weight 1.000000E+00 volume 2.43700E-01 ppm1 7.762 ppm2 3.596 CV 1
ASSI { 51}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA2 ))
3.400 1.600 1.600 peak 50 weight 1.000000E+00 volume 2.82100E-01 ppm1 7.766 ppm2 4.223 CV 1
ASSI { 52}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
3.400 1.600 1.600 peak 51 weight 1.000000E+00 volume 1.74200E-01 ppm1 7.762 ppm2 4.380 CV 1
ASSI { 53}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.400 1.600 1.600 peak 52 weight 1.000000E+00 volume 2.27400E-01 ppm1 8.599 ppm2 3.638 CV 1
OR { 53}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 56 and name HB2 ))
OR { 53}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HA1 ))
ASSI { 54}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.400 1.600 1.600 peak 53 weight 1.000000E+00 volume 7.51100E-01 ppm1 8.685 ppm2 4.384 CV 1
ASSI { 62}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB ))
3.400 1.600 1.600 peak 61 weight 1.000000E+00 volume 8.10000E-01 ppm1 8.186 ppm2 2.008 CV 1
ASSI { 65}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 65 weight 1.000000E+00 volume 4.56000E-02 ppm1 8.182 ppm2 0.861 CV 1
ASSI { 66}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG21))
3.400 1.600 1.600 peak 66 weight 1.000000E+00 volume 2.28500E-01 ppm1 8.186 ppm2 0.995 CV 1
ASSI { 73}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.400 1.600 1.600 peak 73 weight 1.000000E+00 volume 4.22900E-01 ppm1 9.665 ppm2 2.748 CV 1
ASSI { 74}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
3.400 1.600 1.600 peak 74 weight 1.000000E+00 volume 1.80610E+00 ppm1 9.668 ppm2 5.657 CV 1
ASSI { 77}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB ))
3.400 1.600 1.600 peak 77 weight 1.000000E+00 volume 1.45570E+00 ppm1 8.646 ppm2 4.142 CV 1
ASSI { 78}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
3.400 1.600 1.600 peak 78 weight 1.000000E+00 volume 1.99330E+00 ppm1 8.648 ppm2 4.350 CV 1
ASSI { 80}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG21))
3.400 1.600 1.600 peak 80 weight 1.000000E+00 volume 5.06300E-01 ppm1 8.649 ppm2 1.231 CV 1
ASSI { 81}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA2 ))
3.400 1.600 1.600 peak 81 weight 1.000000E+00 volume 3.05700E-01 ppm1 6.778 ppm2 3.438 CV 1
ASSI { 82}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA1 ))
3.400 1.600 1.600 peak 82 weight 1.000000E+00 volume 3.75900E-01 ppm1 6.777 ppm2 3.093 CV 1
ASSI { 85}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA2 ))
3.400 1.600 1.600 peak 85 weight 1.000000E+00 volume 5.25200E-01 ppm1 8.284 ppm2 4.709 CV 1
ASSI { 86}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA1 ))
3.400 1.600 1.600 peak 86 weight 1.000000E+00 volume 6.44200E-01 ppm1 8.290 ppm2 3.884 CV 1
ASSI { 90}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
3.400 1.600 1.600 peak 90 weight 1.000000E+00 volume 2.43940E+00 ppm1 8.717 ppm2 4.667 CV 1
ASSI { 91}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 55 and name HB ))
3.400 1.600 1.600 peak 91 weight 1.000000E+00 volume 2.20200E-01 ppm1 9.237 ppm2 1.997 CV 1
ASSI { 97}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
3.400 1.600 1.600 peak 97 weight 1.000000E+00 volume 6.70800E-01 ppm1 8.831 ppm2 5.123 CV 1
ASSI { 98}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
3.400 1.600 1.600 peak 98 weight 1.000000E+00 volume 6.00900E-01 ppm1 8.836 ppm2 4.172 CV 1
ASSI { 100}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.400 1.600 1.600 peak 100 weight 1.000000E+00 volume 8.08200E-01 ppm1 8.717 ppm2 1.786 CV 1
ASSI { 101}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HD2 ))
3.400 1.600 1.600 peak 101 weight 1.000000E+00 volume 4.29400E-01 ppm1 8.718 ppm2 1.623 CV 1
ASSI { 103}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 54 and name HA ))
3.400 1.600 1.600 peak 103 weight 1.000000E+00 volume 2.99400E-01 ppm1 8.830 ppm2 5.652 CV 1
ASSI { 104}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 53 and name HN ))
3.400 1.600 1.600 peak 104 weight 1.000000E+00 volume 6.27000E-02 ppm1 8.830 ppm2 6.766 CV 1
ASSI { 105}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 48 and name HA ))
3.400 1.600 1.600 peak 105 weight 1.000000E+00 volume 2.36300E-01 ppm1 9.671 ppm2 5.116 CV 1
ASSI { 108}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 108 weight 1.000000E+00 volume 5.60400E-01 ppm1 8.803 ppm2 0.946 CV 1
ASSI { 109}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 109 weight 1.000000E+00 volume 6.83200E-01 ppm1 8.703 ppm2 1.097 CV 1
ASSI { 110}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 110 weight 1.000000E+00 volume 2.71400E-01 ppm1 8.804 ppm2 1.087 CV 1
ASSI { 115}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 115 weight 1.000000E+00 volume 1.30960E+00 ppm1 8.836 ppm2 1.291 CV 1
ASSI { 117}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
3.400 1.600 1.600 peak 117 weight 1.000000E+00 volume 2.42580E+00 ppm1 8.803 ppm2 4.067 CV 1
ASSI { 121}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
3.400 1.600 1.600 peak 121 weight 1.000000E+00 volume 1.56010E+00 ppm1 9.413 ppm2 5.588 CV 1
ASSI { 123}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 123 weight 1.000000E+00 volume 3.96200E-01 ppm1 9.414 ppm2 3.959 CV 1
ASSI { 124}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB1 ))
3.400 1.600 1.600 peak 124 weight 1.000000E+00 volume 1.19330E+00 ppm1 9.413 ppm2 3.064 CV 1
ASSI { 129}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
3.400 1.600 1.600 peak 129 weight 1.000000E+00 volume 3.89800E-01 ppm1 8.374 ppm2 4.710 CV 1
ASSI { 131}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 131 weight 1.000000E+00 volume 8.99400E-01 ppm1 8.374 ppm2 2.647 CV 1
ASSI { 132}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB1 ))
3.400 1.600 1.600 peak 132 weight 1.000000E+00 volume 5.84800E-01 ppm1 8.374 ppm2 2.521 CV 1
ASSI { 139}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
3.400 1.600 1.600 peak 139 weight 1.000000E+00 volume 2.12280E+00 ppm1 8.545 ppm2 4.074 CV 1
ASSI { 147}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
3.400 1.600 1.600 peak 147 weight 1.000000E+00 volume 5.07900E-01 ppm1 7.549 ppm2 4.363 CV 1
ASSI { 148}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
3.400 1.600 1.600 peak 148 weight 1.000000E+00 volume 1.07200E-01 ppm1 8.541 ppm2 1.672 CV 1
ASSI { 160}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.400 1.600 1.600 peak 161 weight 1.000000E+00 volume 9.05000E-01 ppm1 8.497 ppm2 3.315 CV 1
ASSI { 162}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.400 1.600 1.600 peak 163 weight 1.000000E+00 volume 5.96400E-01 ppm1 8.497 ppm2 2.841 CV 1
ASSI { 163}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
3.400 1.600 1.600 peak 164 weight 1.000000E+00 volume 1.87000E+00 ppm1 8.497 ppm2 4.951 CV 1
ASSI { 165}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 11 and name HA ))
3.400 1.600 1.600 peak 166 weight 1.000000E+00 volume 1.14200E-01 ppm1 8.375 ppm2 4.953 CV 1
ASSI { 168}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 2 and name HB ))
3.400 1.600 1.600 peak 170 weight 1.000000E+00 volume 2.51100E-01 ppm1 8.780 ppm2 1.672 CV 1
ASSI { 170}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB1 ))
3.400 1.600 1.600 peak 172 weight 1.000000E+00 volume 4.38600E-01 ppm1 8.814 ppm2 2.186 CV 1
ASSI { 171}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 173 weight 1.000000E+00 volume 4.67100E-01 ppm1 8.813 ppm2 3.657 CV 1
ASSI { 175}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
3.400 1.600 1.600 peak 177 weight 1.000000E+00 volume 1.27820E+00 ppm1 8.781 ppm2 5.168 CV 1
ASSI { 176}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 178 weight 1.000000E+00 volume 2.57700E-01 ppm1 8.675 ppm2 3.224 CV 1
ASSI { 179}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.400 1.600 1.600 peak 181 weight 1.000000E+00 volume 1.02680E+00 ppm1 8.596 ppm2 4.123 CV 1
ASSI { 184}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
3.400 1.600 1.600 peak 186 weight 1.000000E+00 volume 1.72210E+00 ppm1 8.254 ppm2 4.677 CV 1
ASSI { 185}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.400 1.600 1.600 peak 187 weight 1.000000E+00 volume 5.43600E-01 ppm1 8.253 ppm2 3.075 CV 1
ASSI { 186}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA1 ))
3.400 1.600 1.600 peak 188 weight 1.000000E+00 volume 3.54500E-01 ppm1 7.872 ppm2 3.693 CV 1
ASSI { 188}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA2 ))
3.400 1.600 1.600 peak 190 weight 1.000000E+00 volume 3.80300E-01 ppm1 7.872 ppm2 4.162 CV 1
ASSI { 191}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB1 ))
3.400 1.600 1.600 peak 193 weight 1.000000E+00 volume 7.85800E-01 ppm1 9.239 ppm2 2.810 CV 1
ASSI { 192}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.400 1.600 1.600 peak 194 weight 1.000000E+00 volume 1.39800E+00 ppm1 9.238 ppm2 4.760 CV 1
ASSI { 193}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA2 ))
3.400 1.600 1.600 peak 195 weight 1.000000E+00 volume 3.24300E-01 ppm1 8.213 ppm2 4.269 CV 1
ASSI { 194}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA1 ))
3.400 1.600 1.600 peak 196 weight 1.000000E+00 volume 2.35300E-01 ppm1 8.213 ppm2 3.586 CV 1
ASSI { 196}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
3.400 1.600 1.600 peak 198 weight 1.000000E+00 volume 2.74700E+00 ppm1 8.701 ppm2 4.136 CV 1
ASSI { 197}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB1 ))
3.400 1.600 1.600 peak 199 weight 1.000000E+00 volume 8.40300E-01 ppm1 8.703 ppm2 1.442 CV 1
ASSI { 201}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 18 and name HG% )
3.400 1.600 1.600 peak 203 weight 1.000000E+00 volume 4.14500E-01 ppm1 7.207 ppm2 2.026 CV 1
OR { 201}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 55 and name HB ))
OR { 201}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HB2 ))
OR { 201}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 38 and name HB1 ))
ASSI { 202}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 204 weight 1.000000E+00 volume 2.18800E-01 ppm1 7.225 ppm2 1.842 CV 1
ASSI { 203}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.400 1.600 1.600 peak 205 weight 1.000000E+00 volume 8.09000E-02 ppm1 7.206 ppm2 4.286 CV 1
ASSI { 205}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA1 ))
3.400 1.600 1.600 peak 207 weight 1.000000E+00 volume 1.73500E-01 ppm1 8.463 ppm2 3.996 CV 1
ASSI { 207}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA1 ))
3.400 1.600 1.600 peak 209 weight 1.000000E+00 volume 3.71500E-01 ppm1 8.628 ppm2 3.663 CV 1
ASSI { 215}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB1 ))
3.400 1.600 1.600 peak 217 weight 1.000000E+00 volume 3.69600E-01 ppm1 8.510 ppm2 1.509 CV 1
ASSI { 216}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
3.400 1.600 1.600 peak 218 weight 1.000000E+00 volume 3.67700E-01 ppm1 8.511 ppm2 1.693 CV 1
ASSI { 217}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG1 ))
3.400 1.600 1.600 peak 219 weight 1.000000E+00 volume 1.16700E-01 ppm1 8.510 ppm2 2.032 CV 1
ASSI { 218}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG2 ))
3.400 1.600 1.600 peak 220 weight 1.000000E+00 volume 1.14300E-01 ppm1 8.511 ppm2 2.213 CV 1
ASSI { 221}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
3.400 1.600 1.600 peak 223 weight 1.000000E+00 volume 1.07120E+00 ppm1 8.812 ppm2 5.003 CV 1
ASSI { 229}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 33 and name HB ))
3.400 1.600 1.600 peak 231 weight 1.000000E+00 volume 5.88300E-01 ppm1 9.413 ppm2 1.792 CV 1
ASSI { 230}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 232 weight 1.000000E+00 volume 4.87100E-01 ppm1 9.413 ppm2 1.293 CV 1
ASSI { 231}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 233 weight 1.000000E+00 volume 5.18000E-02 ppm1 9.412 ppm2 1.092 CV 1
ASSI { 232}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 234 weight 1.000000E+00 volume 7.10000E-02 ppm1 9.413 ppm2 0.953 CV 1
ASSI { 246}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 248 weight 1.000000E+00 volume 1.57460E+00 ppm1 8.021 ppm2 3.971 CV 1
OR { 246}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 23 and name HB ))
OR { 246}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
ASSI { 247}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HA ))
3.400 1.600 1.600 peak 249 weight 1.000000E+00 volume 9.88000E-02 ppm1 7.803 ppm2 4.415 CV 1
ASSI { 248}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.400 1.600 1.600 peak 250 weight 1.000000E+00 volume 4.83000E-02 ppm1 7.801 ppm2 4.255 CV 1
ASSI { 249}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.400 1.600 1.600 peak 251 weight 1.000000E+00 volume 3.02100E-01 ppm1 7.801 ppm2 4.133 CV 1
ASSI { 251}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.400 1.600 1.600 peak 253 weight 1.000000E+00 volume 2.88500E-01 ppm1 8.035 ppm2 1.587 CV 1
ASSI { 252}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.600 1.600 peak 254 weight 1.000000E+00 volume 2.12400E-01 ppm1 8.035 ppm2 1.667 CV 1
ASSI { 253}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB1 ))
3.400 1.600 1.600 peak 255 weight 1.000000E+00 volume 4.56900E-01 ppm1 8.833 ppm2 3.019 CV 1
ASSI { 254}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 41 and name HA ))
3.400 1.600 1.600 peak 256 weight 1.000000E+00 volume 6.05500E-01 ppm1 8.058 ppm2 5.587 CV 1
ASSI { 255}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
3.400 1.600 1.600 peak 257 weight 1.000000E+00 volume 2.36400E-01 ppm1 9.177 ppm2 5.012 CV 1
ASSI { 256}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.400 1.600 1.600 peak 258 weight 1.000000E+00 volume 1.61200E-01 ppm1 9.180 ppm2 3.504 CV 1
ASSI { 257}
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3.400 1.600 1.600 peak 259 weight 1.000000E+00 volume 3.56000E-02 ppm1 9.176 ppm2 2.908 CV 1
ASSI { 260}
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3.400 1.600 1.600 peak 262 weight 1.000000E+00 volume 1.99400E-01 ppm1 8.142 ppm2 4.358 CV 1
OR { 260}
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OR { 260}
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ASSI { 261}
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3.400 1.600 1.600 peak 263 weight 1.000000E+00 volume 5.31000E-02 ppm1 8.142 ppm2 2.780 CV 1
ASSI { 262}
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3.400 1.600 1.600 peak 264 weight 1.000000E+00 volume 3.76000E-02 ppm1 8.144 ppm2 2.910 CV 1
ASSI { 263}
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3.400 1.600 1.600 peak 265 weight 1.000000E+00 volume 8.93000E-02 ppm1 7.543 ppm2 2.913 CV 1
ASSI { 264}
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3.400 1.600 1.600 peak 266 weight 1.000000E+00 volume 3.39300E-01 ppm1 7.547 ppm2 3.500 CV 1
ASSI { 265}
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3.400 1.600 1.600 peak 267 weight 1.000000E+00 volume 3.45300E-01 ppm1 8.413 ppm2 4.114 CV 1
ASSI { 270}
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3.400 1.600 1.600 peak 272 weight 1.000000E+00 volume 3.63000E-01 ppm1 9.252 ppm2 2.329 CV 1
ASSI { 271}
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3.400 1.600 1.600 peak 273 weight 1.000000E+00 volume 9.59000E-01 ppm1 9.257 ppm2 4.845 CV 1
ASSI { 274}
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3.400 1.600 1.600 peak 276 weight 1.000000E+00 volume 7.36600E-01 ppm1 6.460 ppm2 4.427 CV 1
ASSI { 275}
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3.400 1.600 1.600 peak 277 weight 1.000000E+00 volume 4.08800E-01 ppm1 6.457 ppm2 3.968 CV 1
ASSI { 276}
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3.400 1.600 1.600 peak 278 weight 1.000000E+00 volume 3.96000E-02 ppm1 6.475 ppm2 1.088 CV 1
ASSI { 277}
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3.400 1.600 1.600 peak 279 weight 1.000000E+00 volume 2.92500E-01 ppm1 9.252 ppm2 3.972 CV 1
ASSI { 278}
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3.400 1.600 1.600 peak 280 weight 1.000000E+00 volume 1.69800E-01 ppm1 8.677 ppm2 3.107 CV 1
ASSI { 279}
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3.400 1.600 1.600 peak 281 weight 1.000000E+00 volume 3.69100E-01 ppm1 8.676 ppm2 9.780 CV 1
ASSI { 280}
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3.400 1.600 1.600 peak 282 weight 1.000000E+00 volume 4.41700E-01 ppm1 9.793 ppm2 8.664 CV 1
ASSI { 281}
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3.400 1.600 1.600 peak 283 weight 1.000000E+00 volume 4.12000E-01 ppm1 8.540 ppm2 0.881 CV 1
ASSI { 285}
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3.400 1.600 1.600 peak 287 weight 1.000000E+00 volume 2.53300E-01 ppm1 9.242 ppm2 3.161 CV 1
ASSI { 286}
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3.400 1.600 1.600 peak 288 weight 1.000000E+00 volume 4.09300E-01 ppm1 6.589 ppm2 4.567 CV 1
ASSI { 287}
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3.400 1.600 1.600 peak 289 weight 1.000000E+00 volume 1.10260E+00 ppm1 6.590 ppm2 4.705 CV 1
ASSI { 288}
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3.400 1.600 1.600 peak 290 weight 1.000000E+00 volume 5.43600E-01 ppm1 8.031 ppm2 4.846 CV 1
ASSI { 294}
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3.400 1.600 1.600 peak 296 weight 1.000000E+00 volume 5.04700E-01 ppm1 8.058 ppm2 4.641 CV 1
ASSI { 296}
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3.400 1.600 1.600 peak 298 weight 1.000000E+00 volume 1.20500E-01 ppm1 8.494 ppm2 2.316 CV 1
ASSI { 299}
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3.400 1.600 1.600 peak 301 weight 1.000000E+00 volume 9.78000E-02 ppm1 9.094 ppm2 4.505 CV 1
ASSI { 300}
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3.400 1.600 1.600 peak 302 weight 1.000000E+00 volume 5.54000E-01 ppm1 6.738 ppm2 7.523 CV 1
ASSI { 303}
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3.400 1.600 1.600 peak 307 weight 1.000000E+00 volume 1.82500E-01 ppm1 7.534 ppm2 3.971 CV 1
OR { 303}
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OR { 303}
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OR { 303}
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OR { 303}
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ASSI { 306}
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3.400 1.600 1.600 peak 310 weight 1.000000E+00 volume 3.99700E-01 ppm1 7.608 ppm2 4.433 CV 1
ASSI { 308}
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3.400 1.600 1.600 peak 312 weight 1.000000E+00 volume 1.32600E-01 ppm1 8.375 ppm2 3.659 CV 1
ASSI { 309}
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3.400 1.600 1.600 peak 313 weight 1.000000E+00 volume 1.78600E-01 ppm1 8.375 ppm2 3.601 CV 1
ASSI { 310}
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3.400 1.600 1.600 peak 314 weight 1.000000E+00 volume 1.15000E-01 ppm1 8.375 ppm2 8.755 CV 1
ASSI { 311}
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3.400 1.600 1.600 peak 315 weight 1.000000E+00 volume 2.49600E-01 ppm1 8.780 ppm2 8.362 CV 1
ASSI { 313}
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3.400 1.600 1.600 peak 317 weight 1.000000E+00 volume 4.14700E-01 ppm1 8.275 ppm2 3.940 CV 1
OR { 313}
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OR { 313}
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OR { 313}
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OR { 313}
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ASSI { 319}
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3.400 1.600 1.600 peak 323 weight 1.000000E+00 volume 5.17000E-02 ppm1 8.921 ppm2 2.125 CV 1
ASSI { 320}
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3.400 1.600 1.600 peak 324 weight 1.000000E+00 volume 9.33000E-01 ppm1 8.596 ppm2 5.167 CV 1
ASSI { 321}
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3.400 1.600 1.600 peak 325 weight 1.000000E+00 volume 8.63400E-01 ppm1 8.596 ppm2 7.191 CV 1
ASSI { 322}
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(( segid " " and resid 4 and name HN ))
3.400 1.600 1.600 peak 326 weight 1.000000E+00 volume 6.98300E-01 ppm1 7.205 ppm2 8.584 CV 1
ASSI { 323}
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3.400 1.600 1.600 peak 327 weight 1.000000E+00 volume 5.93100E-01 ppm1 7.872 ppm2 8.454 CV 1
ASSI { 324}
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3.400 1.600 1.600 peak 328 weight 1.000000E+00 volume 3.85900E-01 ppm1 8.467 ppm2 7.864 CV 1
ASSI { 325}
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(( segid " " and resid 8 and name HN ))
3.400 1.600 1.600 peak 329 weight 1.000000E+00 volume 6.40000E-02 ppm1 7.203 ppm2 7.861 CV 1
ASSI { 326}
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(( segid " " and resid 5 and name HN ))
3.400 1.600 1.600 peak 330 weight 1.000000E+00 volume 6.02000E-02 ppm1 7.873 ppm2 7.203 CV 1
ASSI { 327}
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3.400 1.600 1.600 peak 331 weight 1.000000E+00 volume 1.10390E+00 ppm1 7.762 ppm2 8.671 CV 1
ASSI { 328}
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3.400 1.600 1.600 peak 332 weight 1.000000E+00 volume 4.43400E-01 ppm1 8.684 ppm2 7.751 CV 1
ASSI { 329}
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3.400 1.600 1.600 peak 333 weight 1.000000E+00 volume 7.37000E-02 ppm1 7.763 ppm2 0.890 CV 1
ASSI { 330}
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3.400 1.600 1.600 peak 334 weight 1.000000E+00 volume 3.65000E-02 ppm1 9.788 ppm2 5.191 CV 1
ASSI { 331}
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3.400 1.600 1.600 peak 335 weight 1.000000E+00 volume 1.74500E-01 ppm1 9.244 ppm2 5.514 CV 1
ASSI { 332}
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3.400 1.600 1.600 peak 336 weight 1.000000E+00 volume 1.91700E-01 ppm1 8.051 ppm2 6.578 CV 1
ASSI { 333}
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3.400 1.600 1.600 peak 337 weight 1.000000E+00 volume 2.93500E-01 ppm1 6.589 ppm2 8.035 CV 1
ASSI { 334}
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3.400 1.600 1.600 peak 338 weight 1.000000E+00 volume 1.20970E+00 ppm1 7.801 ppm2 6.580 CV 1
ASSI { 335}
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3.400 1.600 1.600 peak 339 weight 1.000000E+00 volume 1.70520E+00 ppm1 6.588 ppm2 7.788 CV 1
ASSI { 336}
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3.400 1.600 1.600 peak 340 weight 1.000000E+00 volume 1.52000E-01 ppm1 7.803 ppm2 8.038 CV 1
ASSI { 337}
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3.400 1.600 1.600 peak 341 weight 1.000000E+00 volume 8.56000E-02 ppm1 8.051 ppm2 7.782 CV 1
ASSI { 338}
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3.400 1.600 1.600 peak 342 weight 1.000000E+00 volume 5.45400E-01 ppm1 8.918 ppm2 8.262 CV 1
ASSI { 339}
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3.400 1.600 1.600 peak 343 weight 1.000000E+00 volume 3.30400E-01 ppm1 8.276 ppm2 8.914 CV 1
ASSI { 340}
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3.400 1.600 1.600 peak 344 weight 1.000000E+00 volume 1.71200E-01 ppm1 8.833 ppm2 4.384 CV 1
ASSI { 341}
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3.400 1.600 1.600 peak 345 weight 1.000000E+00 volume 2.62300E-01 ppm1 8.837 ppm2 9.407 CV 1
ASSI { 342}
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3.400 1.600 1.600 peak 346 weight 1.000000E+00 volume 5.12600E-01 ppm1 9.412 ppm2 8.814 CV 1
ASSI { 343}
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3.400 1.600 1.600 peak 347 weight 1.000000E+00 volume 6.00000E-02 ppm1 8.839 ppm2 2.283 CV 1
ASSI { 345}
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3.400 1.600 1.600 peak 350 weight 1.000000E+00 volume 2.30800E-01 ppm1 8.513 ppm2 2.925 CV 1
ASSI { 346}
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3.400 1.600 1.600 peak 351 weight 1.000000E+00 volume 1.16500E-01 ppm1 9.175 ppm2 7.540 CV 1
ASSI { 347}
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3.400 1.600 1.600 peak 352 weight 1.000000E+00 volume 1.16500E-01 ppm1 7.549 ppm2 9.157 CV 1
ASSI { 348}
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3.400 1.600 1.600 peak 353 weight 1.000000E+00 volume 2.37400E-01 ppm1 7.547 ppm2 8.125 CV 1
ASSI { 349}
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3.400 1.600 1.600 peak 354 weight 1.000000E+00 volume 7.50000E-01 ppm1 8.142 ppm2 7.538 CV 1
ASSI { 350}
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3.400 1.600 1.600 peak 355 weight 1.000000E+00 volume 6.13200E-01 ppm1 8.142 ppm2 8.392 CV 1
ASSI { 351}
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3.400 1.600 1.600 peak 356 weight 1.000000E+00 volume 1.94500E-01 ppm1 8.412 ppm2 8.130 CV 1
ASSI { 352}
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3.400 1.600 1.600 peak 357 weight 1.000000E+00 volume 4.50300E-01 ppm1 8.208 ppm2 4.139 CV 1
ASSI { 353}
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3.400 1.600 1.600 peak 358 weight 1.000000E+00 volume 6.32400E-01 ppm1 8.702 ppm2 8.200 CV 1
ASSI { 354}
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3.400 1.600 1.600 peak 359 weight 1.000000E+00 volume 7.67300E-01 ppm1 8.213 ppm2 8.687 CV 1
ASSI { 355}
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3.400 1.600 1.600 peak 360 weight 1.000000E+00 volume 3.43100E-01 ppm1 9.668 ppm2 9.226 CV 1
ASSI { 356}
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3.400 1.600 1.600 peak 361 weight 1.000000E+00 volume 4.21000E-01 ppm1 9.237 ppm2 9.654 CV 1
ASSI { 357}
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3.400 1.600 1.600 peak 362 weight 1.000000E+00 volume 5.31000E-02 ppm1 6.776 ppm2 8.809 CV 1
ASSI { 358}
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3.400 1.600 1.600 peak 363 weight 1.000000E+00 volume 7.91800E-01 ppm1 6.777 ppm2 8.277 CV 1
ASSI { 359}
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3.400 1.600 1.600 peak 364 weight 1.000000E+00 volume 3.47300E-01 ppm1 8.290 ppm2 6.761 CV 1
ASSI { 360}
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3.400 1.600 1.600 peak 365 weight 1.000000E+00 volume 1.22800E-01 ppm1 6.928 ppm2 9.225 CV 1
ASSI { 361}
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3.400 1.600 1.600 peak 366 weight 1.000000E+00 volume 2.08100E-01 ppm1 9.237 ppm2 6.921 CV 1
ASSI { 362}
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3.400 1.600 1.600 peak 367 weight 1.000000E+00 volume 5.80500E-01 ppm1 7.228 ppm2 9.235 CV 1
ASSI { 364}
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3.400 1.600 1.600 peak 369 weight 1.000000E+00 volume 1.36100E-01 ppm1 8.030 ppm2 9.249 CV 1
ASSI { 365}
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3.400 1.600 1.600 peak 370 weight 1.000000E+00 volume 1.51700E-01 ppm1 9.257 ppm2 8.021 CV 1
ASSI { 366}
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3.400 1.600 1.600 peak 371 weight 1.000000E+00 volume 1.97300E-01 ppm1 9.239 ppm2 8.191 CV 1
OR { 366}
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ASSI { 369}
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3.400 1.600 1.600 peak 374 weight 1.000000E+00 volume 3.77500E-01 ppm1 10.013 ppm2 4.095 CV 1
ASSI { 370}
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3.400 1.600 1.600 peak 375 weight 1.000000E+00 volume 5.23000E-02 ppm1 10.012 ppm2 3.651 CV 1
ASSI { 371}
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3.400 1.600 1.600 peak 376 weight 1.000000E+00 volume 5.84000E-02 ppm1 10.014 ppm2 3.976 CV 1
ASSI { 372}
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3.400 1.600 1.600 peak 377 weight 1.000000E+00 volume 1.34300E-01 ppm1 9.663 ppm2 3.306 CV 1
ASSI { 373}
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3.400 1.600 1.600 peak 378 weight 1.000000E+00 volume 7.28500E-01 ppm1 9.250 ppm2 1.013 CV 1
ASSI { 375}
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3.400 1.600 1.600 peak 380 weight 1.000000E+00 volume 5.26000E-01 ppm1 8.813 ppm2 2.431 CV 1
ASSI { 376}
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3.400 1.600 1.600 peak 381 weight 1.000000E+00 volume 1.50700E-01 ppm1 8.718 ppm2 0.949 CV 1
ASSI { 377}
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3.400 1.600 1.600 peak 382 weight 1.000000E+00 volume 1.69900E-01 ppm1 8.683 ppm2 0.898 CV 1
ASSI { 378}
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3.400 1.600 1.600 peak 383 weight 1.000000E+00 volume 1.13200E-01 ppm1 8.596 ppm2 3.087 CV 1
ASSI { 379}
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3.400 1.600 1.600 peak 384 weight 1.000000E+00 volume 1.32500E-01 ppm1 8.595 ppm2 2.351 CV 1
ASSI { 380}
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3.400 1.600 1.600 peak 385 weight 1.000000E+00 volume 5.56200E-01 ppm1 8.213 ppm2 1.098 CV 1
ASSI { 381}
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3.400 1.600 1.600 peak 386 weight 1.000000E+00 volume 7.68000E-02 ppm1 8.212 ppm2 1.451 CV 1
ASSI { 382}
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3.400 1.600 1.600 peak 387 weight 1.000000E+00 volume 4.59000E-02 ppm1 8.209 ppm2 1.796 CV 1
ASSI { 383}
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3.400 1.600 1.600 peak 388 weight 1.000000E+00 volume 1.25300E-01 ppm1 8.489 ppm2 1.296 CV 1
ASSI { 384}
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3.400 1.600 1.600 peak 389 weight 1.000000E+00 volume 3.66000E-02 ppm1 7.797 ppm2 2.485 CV 1
ASSI { 385}
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3.400 1.600 1.600 peak 390 weight 1.000000E+00 volume 2.39300E-01 ppm1 7.802 ppm2 2.166 CV 1
ASSI { 387}
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3.400 1.600 1.600 peak 392 weight 1.000000E+00 volume 2.46900E-01 ppm1 8.781 ppm2 0.893 CV 1
ASSI { 389}
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3.400 1.600 1.600 peak 394 weight 1.000000E+00 volume 2.07100E-01 ppm1 10.013 ppm2 1.604 CV 1
ASSI { 390}
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3.400 1.600 1.600 peak 395 weight 1.000000E+00 volume 6.49000E-02 ppm1 10.014 ppm2 1.644 CV 1
ASSI { 393}
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3.400 1.600 1.600 peak 399 weight 1.000000E+00 volume 9.17000E-02 ppm1 6.926 ppm2 9.654 CV 1
ASSI { 394}
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3.400 1.600 1.600 peak 400 weight 1.000000E+00 volume 1.17300E-01 ppm1 9.666 ppm2 6.916 CV 1
ASSI { 395}
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3.400 1.600 1.600 peak 401 weight 1.000000E+00 volume 4.12000E-02 ppm1 9.412 ppm2 8.048 CV 1
ASSI { 396}
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3.400 1.600 1.600 peak 402 weight 1.000000E+00 volume 1.18300E-01 ppm1 8.059 ppm2 9.403 CV 1
ASSI { 397}
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3.400 1.600 1.600 peak 403 weight 1.000000E+00 volume 1.22200E-01 ppm1 9.236 ppm2 5.661 CV 1
ASSI { 398}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 2 and name HG11))
3.400 1.600 1.600 peak 404 weight 1.000000E+00 volume 8.16000E-02 ppm1 8.935 ppm2 0.864 CV 1
ASSI { 401}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.400 1.600 1.600 peak 407 weight 1.000000E+00 volume 1.20700E-01 ppm1 8.414 ppm2 3.530 CV 1
ASSI { 402}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 35 and name HB1 ))
3.400 1.600 1.600 peak 408 weight 1.000000E+00 volume 7.46000E-02 ppm1 8.416 ppm2 2.923 CV 1
ASSI { 403}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HB1 ))
3.400 1.600 1.600 peak 409 weight 1.000000E+00 volume 1.68600E-01 ppm1 8.413 ppm2 3.067 CV 1
ASSI { 404}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 9 and name HN ))
3.400 1.600 1.600 peak 410 weight 1.000000E+00 volume 1.03400E-01 ppm1 7.539 ppm2 8.247 CV 1
ASSI { 405}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HD2 ))
3.400 1.600 1.600 peak 411 weight 1.000000E+00 volume 1.42100E-01 ppm1 8.253 ppm2 7.532 CV 1
ASSI { 406}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
3.400 1.600 1.600 peak 412 weight 1.000000E+00 volume 1.02300E-01 ppm1 8.291 ppm2 9.073 CV 1
ASSI { 407}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.600 1.600 peak 413 weight 1.000000E+00 volume 5.13000E-02 ppm1 7.871 ppm2 2.025 CV 1
ASSI { 408}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 414 weight 1.000000E+00 volume 2.53000E-02 ppm1 7.863 ppm2 1.850 CV 1
ASSI { 409}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.400 1.600 1.600 peak 415 weight 1.000000E+00 volume 2.80000E-02 ppm1 7.870 ppm2 2.324 CV 1
ASSI { 410}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 3 and name HA ))
3.400 1.600 1.600 peak 416 weight 1.000000E+00 volume 1.56500E-01 ppm1 8.778 ppm2 4.122 CV 1
ASSI { 411}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 417 weight 1.000000E+00 volume 3.75000E-02 ppm1 8.773 ppm2 2.631 CV 1
ASSI { 412}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HG1 ))
3.400 1.600 1.600 peak 419 weight 1.000000E+00 volume 3.91000E-02 ppm1 8.808 ppm2 1.982 CV 1
ASSI { 413}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 420 weight 1.000000E+00 volume 8.36000E-02 ppm1 8.813 ppm2 2.101 CV 1
ASSI { 414}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.600 1.600 peak 421 weight 1.000000E+00 volume 1.07600E-01 ppm1 8.810 ppm2 1.861 CV 1
ASSI { 416}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 26 and name HA ))
3.400 1.600 1.600 peak 423 weight 1.000000E+00 volume 3.24000E-02 ppm1 8.681 ppm2 5.511 CV 1
ASSI { 417}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 56 and name HA ))
3.400 1.600 1.600 peak 424 weight 1.000000E+00 volume 3.81000E-02 ppm1 9.247 ppm2 4.116 CV 1
ASSI { 418}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 43 and name HB1 ))
3.400 1.600 1.600 peak 425 weight 1.000000E+00 volume 1.29600E-01 ppm1 9.795 ppm2 1.859 CV 1
OR { 418}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 419}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 427 weight 1.000000E+00 volume 1.18100E-01 ppm1 8.280 ppm2 3.229 CV 1
OR { 419}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 421}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.400 1.600 1.600 peak 429 weight 1.000000E+00 volume 7.66000E-02 ppm1 8.141 ppm2 3.517 CV 1
ASSI { 422}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HA ))
3.400 1.600 1.600 peak 430 weight 1.000000E+00 volume 3.78000E-02 ppm1 8.411 ppm2 5.000 CV 1
ASSI { 423}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 431 weight 1.000000E+00 volume 2.73000E-02 ppm1 8.214 ppm2 2.283 CV 1
ASSI { 424}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 51 and name HA1 ))
3.400 1.600 1.600 peak 432 weight 1.000000E+00 volume 1.65900E-01 ppm1 6.777 ppm2 3.884 CV 1
ASSI { 429}
(( segid " " and resid 1 and name HT1 ))
(( segid " " and resid 55 and name HG12))
3.400 1.600 1.600 peak 438 weight 1.000000E+00 volume 4.26000E-02 ppm1 8.185 ppm2 1.430 CV 1
OR { 429}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 31 and name HG% )
OR { 429}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 47 and name HG% )
OR { 429}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG12))
OR { 429}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 44 and name HB1 ))
ASSI { 431}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 8 and name HD% )
3.400 1.600 1.600 peak 440 weight 1.000000E+00 volume 3.17000E-02 ppm1 6.451 ppm2 7.576 CV 1
OR { 431}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 37 and name HN ))
OR { 431}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HE22))
ASSI { 433}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.400 1.600 1.600 peak 442 weight 1.000000E+00 volume 9.84000E-02 ppm1 8.050 ppm2 2.270 CV 1
OR { 433}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 42 and name HB1 ))
OR { 433}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 38 and name HB2 ))
OR { 433}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 42 and name HB1 ))
ASSI { 435}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 37 and name HB1 ))
3.400 1.600 1.600 peak 444 weight 1.000000E+00 volume 4.49000E-02 ppm1 9.664 ppm2 2.806 CV 1
OR { 435}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 46 and name HB1 ))
ASSI { 436}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 49 and name HN ))
3.400 1.600 1.600 peak 445 weight 1.000000E+00 volume 5.85000E-02 ppm1 9.661 ppm2 8.816 CV 1
ASSI { 437}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 55 and name HN ))
3.400 1.600 1.600 peak 446 weight 1.000000E+00 volume 1.07900E-01 ppm1 8.838 ppm2 9.668 CV 1
ASSI { 438}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 48 and name HA ))
3.400 1.600 1.600 peak 447 weight 1.000000E+00 volume 3.91000E-02 ppm1 6.775 ppm2 5.133 CV 1
ASSI { 439}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 8 and name HN ))
3.400 1.600 1.600 peak 448 weight 1.000000E+00 volume 4.59000E-02 ppm1 8.592 ppm2 7.867 CV 1
ASSI { 440}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 4 and name HN ))
3.400 1.600 1.600 peak 449 weight 1.000000E+00 volume 6.49000E-02 ppm1 7.872 ppm2 8.586 CV 1
ASSI { 442}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.600 1.600 peak 451 weight 1.000000E+00 volume 1.55300E-01 ppm1 8.055 ppm2 1.670 CV 1
OR { 442}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 39 and name HB2 ))
OR { 442}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 18 and name HB2 ))
OR { 442}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 444}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 24 and name HA ))
3.400 1.600 1.600 peak 453 weight 1.000000E+00 volume 1.34100E-01 ppm1 8.052 ppm2 4.858 CV 1
ASSI { 445}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 13 and name HA2 ))
3.400 1.600 1.600 peak 454 weight 1.000000E+00 volume 3.02000E-02 ppm1 6.587 ppm2 4.246 CV 1
OR { 445}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 446}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HA ))
3.400 1.600 1.600 peak 455 weight 1.000000E+00 volume 4.67000E-02 ppm1 7.552 ppm2 5.024 CV 1
ASSI { 447}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HN ))
3.400 1.600 1.600 peak 456 weight 1.000000E+00 volume 8.23000E-02 ppm1 8.509 ppm2 8.127 CV 1
ASSI { 448}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 15 and name HA ))
3.400 1.600 1.600 peak 457 weight 1.000000E+00 volume 1.46600E-01 ppm1 6.778 ppm2 4.490 CV 1
ASSI { 449}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 15 and name HA ))
3.400 1.600 1.600 peak 459 weight 1.000000E+00 volume 1.33300E-01 ppm1 8.287 ppm2 4.493 CV 1
OR { 449}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 50 and name HA ))
OR { 449}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 15 and name HA ))
OR { 449}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HA ))
ASSI { 451}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 31 and name HE% )
3.400 1.600 1.600 peak 462 weight 1.000000E+00 volume 2.57000E-02 ppm1 8.141 ppm2 3.084 CV 1
OR { 451}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 41 and name HB1 ))
OR { 451}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
OR { 451}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 40 and name HB1 ))
OR { 451}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 8 and name HB% )
ASSI { 457}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 40 and name HD2 ))
3.400 1.600 1.600 peak 468 weight 1.000000E+00 volume 9.55000E-02 ppm1 8.816 ppm2 7.455 CV 1
OR { 457}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 24 and name HZ2 ))
OR { 457}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 40 and name HD2 ))
OR { 457}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 40 and name HD2 ))
OR { 457}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HD2 ))
ASSI { 458}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 21 and name HN ))
3.400 1.600 1.600 peak 469 weight 1.000000E+00 volume 1.65400E-01 ppm1 7.475 ppm2 8.799 CV 1
OR { 458}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 34 and name HN ))
OR { 458}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 11 and name HN ))
OR { 458}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 41 and name HN ))
OR { 458}
(( segid " " and resid 24 and name HZ2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 459}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HD1 ))
3.400 1.600 1.600 peak 470 weight 1.000000E+00 volume 2.34000E-02 ppm1 8.705 ppm2 6.921 CV 1
OR { 459}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 46 and name HD1 ))
ASSI { 461}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 17 and name HN ))
3.400 1.600 1.600 peak 472 weight 1.000000E+00 volume 2.59000E-02 ppm1 9.784 ppm2 9.240 CV 1
OR { 461}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
ASSI { 462}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 27 and name HN ))
3.400 1.600 1.600 peak 473 weight 1.000000E+00 volume 2.49000E-02 ppm1 9.244 ppm2 9.781 CV 1
OR { 462}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HN ))
ASSI { 463}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB2 ))
3.400 1.600 1.600 peak 474 weight 1.000000E+00 volume 2.72000E-02 ppm1 9.784 ppm2 2.483 CV 1
OR { 463}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 17 and name HB1 ))
OR { 463}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 21 and name HG% )
ASSI { 464}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 34 and name HA ))
3.400 1.600 1.600 peak 475 weight 1.000000E+00 volume 5.87000E-02 ppm1 9.421 ppm2 4.696 CV 1
ASSI { 465}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 47 and name HB% )
3.400 1.600 1.600 peak 476 weight 1.000000E+00 volume 9.88000E-02 ppm1 9.660 ppm2 1.809 CV 1
OR { 465}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 33 and name HB ))
OR { 465}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 31 and name HB1 ))
OR { 465}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 43 and name HB1 ))
ASSI { 466}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 43 and name HG1 ))
3.400 1.600 1.600 peak 477 weight 1.000000E+00 volume 1.44500E-01 ppm1 9.660 ppm2 1.621 CV 1
OR { 466}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 18 and name HB1 ))
OR { 466}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 47 and name HD% )
ASSI { 467}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.400 1.600 1.600 peak 478 weight 1.000000E+00 volume 8.80000E-02 ppm1 9.242 ppm2 2.748 CV 1
ASSI { 468}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 50 and name HD2 ))
3.400 1.600 1.600 peak 479 weight 1.000000E+00 volume 5.83000E-02 ppm1 7.761 ppm2 3.665 CV 1
OR { 468}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 9 and name HB2 ))
OR { 468}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 25 and name HA1 ))
ASSI { 469}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 14 and name HN ))
3.400 1.600 1.600 peak 480 weight 1.000000E+00 volume 3.97000E-02 ppm1 8.816 ppm2 7.747 CV 1
OR { 469}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HN ))
ASSI { 470}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 10 and name HN ))
3.400 1.600 1.600 peak 481 weight 1.000000E+00 volume 3.75000E-02 ppm1 7.764 ppm2 8.808 CV 1
OR { 470}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 21 and name HN ))
OR { 470}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HN ))
OR { 470}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 33 and name HN ))
ASSI { 471}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.400 1.600 1.600 peak 482 weight 1.000000E+00 volume 2.77000E-02 ppm1 7.766 ppm2 2.846 CV 1
OR { 471}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HB1 ))
OR { 471}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 42 and name HB2 ))
OR { 471}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 43 and name HD1 ))
# Restraints file 2: noesy2d_d2o.tbl
ASSI { 1}
(( segid " " and resid 23 and name HG21))
(( segid " " and resid 38 and name HB2 ))
3.400 1.600 1.600 peak 0 weight 1.000000E+00 volume 5.19200E-01 ppm1 1.112 ppm2 2.273 CV 1
OR { 1}
(( segid " " and resid 33 and name HG21))
(( segid " " and resid 38 and name HB2 ))
OR { 1}
(( segid " " and resid 33 and name HG21))
(( segid " " and resid 42 and name HB1 ))
ASSI { 44}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 34 and name HB1 ))
3.400 1.600 1.600 peak 43 weight 1.000000E+00 volume 4.23600E-01 ppm1 5.997 ppm2 2.891 CV 1
ASSI { 45}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.600 1.600 peak 44 weight 1.000000E+00 volume 9.93800E-01 ppm1 5.994 ppm2 3.557 CV 1
ASSI { 50}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 26 and name HA ))
3.400 1.600 1.600 peak 49 weight 1.000000E+00 volume 2.67070E+00 ppm1 5.205 ppm2 5.521 CV 1
ASSI { 51}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 16 and name HA ))
3.400 1.600 1.600 peak 50 weight 1.000000E+00 volume 3.69720E+00 ppm1 5.535 ppm2 5.193 CV 1
ASSI { 52}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 54 and name HA ))
3.400 1.600 1.600 peak 51 weight 1.000000E+00 volume 3.26840E+00 ppm1 5.155 ppm2 5.678 CV 1
ASSI { 53}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 52 weight 1.000000E+00 volume 8.24400E-01 ppm1 5.686 ppm2 2.302 CV 1
ASSI { 54}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 42 and name HB2 ))
3.400 1.600 1.600 peak 53 weight 1.000000E+00 volume 1.11200E+00 ppm1 5.689 ppm2 2.868 CV 1
ASSI { 55}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 54 and name HB1 ))
3.400 1.600 1.600 peak 54 weight 1.000000E+00 volume 3.51000E-01 ppm1 5.519 ppm2 2.766 CV 1
ASSI { 105}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 9 and name HA ))
3.400 1.600 1.600 peak 104 weight 1.000000E+00 volume 4.55410E+00 ppm1 4.155 ppm2 5.184 CV 1
ASSI { 108}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 3 and name HA ))
3.400 1.600 1.600 peak 107 weight 1.000000E+00 volume 3.62050E+00 ppm1 5.195 ppm2 4.140 CV 1
ASSI { 124}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 123 weight 1.000000E+00 volume 9.72900E-01 ppm1 4.196 ppm2 1.102 CV 1
ASSI { 192}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.400 1.600 1.600 peak 191 weight 1.000000E+00 volume 1.21770E+00 ppm1 4.312 ppm2 3.172 CV 1
OR { 192}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 193}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.600 1.600 peak 192 weight 1.000000E+00 volume 1.11560E+00 ppm1 4.315 ppm2 2.760 CV 1
ASSI { 197}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 196 weight 1.000000E+00 volume 9.98650E+00 ppm1 5.996 ppm2 4.043 CV 1
ASSI { 198}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HD1 ))
3.400 1.600 1.600 peak 197 weight 1.000000E+00 volume 3.50880E+00 ppm1 5.995 ppm2 3.815 CV 1
ASSI { 199}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HD2 ))
3.400 1.600 1.600 peak 198 weight 1.000000E+00 volume 1.28016E+01 ppm1 5.519 ppm2 3.854 CV 1
ASSI { 200}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HD2 ))
3.400 1.600 1.600 peak 199 weight 1.000000E+00 volume 1.00106E+01 ppm1 5.086 ppm2 3.903 CV 1
ASSI { 201}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HD1 ))
3.400 1.600 1.600 peak 200 weight 1.000000E+00 volume 1.39551E+01 ppm1 5.086 ppm2 3.799 CV 1
ASSI { 206}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HA ))
3.400 1.600 1.600 peak 205 weight 1.000000E+00 volume 9.02050E+00 ppm1 3.915 ppm2 5.073 CV 1
ASSI { 207}
(( segid " " and resid 28 and name HD1 ))
(( segid " " and resid 27 and name HA ))
3.400 1.600 1.600 peak 206 weight 1.000000E+00 volume 7.70080E+00 ppm1 3.815 ppm2 5.071 CV 1
ASSI { 208}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HA ))
3.400 1.600 1.600 peak 207 weight 1.000000E+00 volume 1.30072E+01 ppm1 4.058 ppm2 5.982 CV 1
ASSI { 209}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 17 and name HA ))
3.400 1.600 1.600 peak 208 weight 1.000000E+00 volume 1.10545E+01 ppm1 3.829 ppm2 5.983 CV 1
ASSI { 210}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 42 and name HA ))
3.400 1.600 1.600 peak 209 weight 1.000000E+00 volume 1.10290E+01 ppm1 3.868 ppm2 5.503 CV 1
ASSI { 214}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 10 and name HA ))
3.400 1.600 1.600 peak 213 weight 1.000000E+00 volume 2.08500E-01 ppm1 2.727 ppm2 4.962 CV 1
ASSI { 215}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 26 and name HA ))
3.400 1.600 1.600 peak 214 weight 1.000000E+00 volume 2.45600E-01 ppm1 3.711 ppm2 5.528 CV 1
ASSI { 233}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 232 weight 1.000000E+00 volume 1.69170E+00 ppm1 2.893 ppm2 0.962 CV 1
ASSI { 234}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 233 weight 1.000000E+00 volume 5.19700E-01 ppm1 2.890 ppm2 1.112 CV 1
ASSI { 235}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 234 weight 1.000000E+00 volume 2.20040E+00 ppm1 2.312 ppm2 1.109 CV 1
ASSI { 236}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 235 weight 1.000000E+00 volume 4.46520E+00 ppm1 2.312 ppm2 0.962 CV 1
ASSI { 275}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 34 and name HA ))
3.400 1.600 1.600 peak 274 weight 1.000000E+00 volume 2.98500E-01 ppm1 5.615 ppm2 4.652 CV 1
ASSI { 276}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 34 and name HB1 ))
3.400 1.600 1.600 peak 275 weight 1.000000E+00 volume 8.03300E-01 ppm1 5.617 ppm2 2.892 CV 1
ASSI { 277}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.400 1.600 1.600 peak 276 weight 1.000000E+00 volume 1.10690E+00 ppm1 5.616 ppm2 3.543 CV 1
OR { 277}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 297}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 24 and name HA ))
3.400 1.600 1.600 peak 297 weight 1.000000E+00 volume 8.16550E+00 ppm1 4.007 ppm2 4.868 CV 1
ASSI { 298}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 18 and name HA ))
3.400 1.600 1.600 peak 298 weight 1.000000E+00 volume 1.40161E+01 ppm1 4.880 ppm2 3.993 CV 1
ASSI { 299}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 46 and name HA ))
3.400 1.600 1.600 peak 299 weight 1.000000E+00 volume 1.13830E+00 ppm1 4.127 ppm2 4.779 CV 1
ASSI { 300}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 56 and name HA ))
3.400 1.600 1.600 peak 300 weight 1.000000E+00 volume 8.39500E-01 ppm1 4.787 ppm2 4.106 CV 1
ASSI { 325}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 29 and name HA ))
3.400 1.600 1.600 peak 330 weight 1.000000E+00 volume 2.86296E+01 ppm1 3.842 ppm2 4.894 CV 1
ASSI { 333}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 49 and name HA2 ))
3.400 1.600 1.600 peak 338 weight 1.000000E+00 volume 5.39830E+00 ppm1 3.488 ppm2 4.594 CV 1
ASSI { 334}
(( segid " " and resid 50 and name HD2 ))
(( segid " " and resid 49 and name HA2 ))
3.400 1.600 1.600 peak 339 weight 1.000000E+00 volume 4.60860E+00 ppm1 3.670 ppm2 4.592 CV 1
ASSI { 346}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 50 and name HD1 ))
3.400 1.600 1.600 peak 351 weight 1.000000E+00 volume 5.30300E+00 ppm1 4.616 ppm2 3.471 CV 1
ASSI { 347}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 24 and name HD1 ))
3.400 1.600 1.600 peak 352 weight 1.000000E+00 volume 1.40470E+00 ppm1 7.548 ppm2 6.743 CV 1
ASSI { 354}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 8 and name HD2 ))
3.400 1.600 1.600 peak 359 weight 1.000000E+00 volume 1.46580E+00 ppm1 6.760 ppm2 7.534 CV 1
ASSI { 432}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 15 and name HB ))
3.400 1.600 1.600 peak 437 weight 1.000000E+00 volume 1.04357E+01 ppm1 3.149 ppm2 3.746 CV 1
ASSI { 433}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 15 and name HB ))
3.400 1.600 1.600 peak 438 weight 1.000000E+00 volume 1.38366E+01 ppm1 3.256 ppm2 3.745 CV 1
ASSI { 434}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 439 weight 1.000000E+00 volume 7.37560E+00 ppm1 3.759 ppm2 3.242 CV 1
ASSI { 435}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 27 and name HB1 ))
3.400 1.600 1.600 peak 440 weight 1.000000E+00 volume 4.05210E+00 ppm1 3.760 ppm2 3.133 CV 1
ASSI { 436}
(( segid " " and resid 15 and name HG21))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 441 weight 1.000000E+00 volume 7.68000E-01 ppm1 1.284 ppm2 3.243 CV 1
ASSI { 437}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 443 weight 1.000000E+00 volume 6.56600E-01 ppm1 1.321 ppm2 3.963 CV 1
ASSI { 438}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 41 and name HB1 ))
3.400 1.600 1.600 peak 444 weight 1.000000E+00 volume 3.32380E+00 ppm1 1.321 ppm2 3.074 CV 1
ASSI { 439}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 445 weight 1.000000E+00 volume 1.22410E+00 ppm1 1.322 ppm2 3.244 CV 1
ASSI { 440}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 27 and name HB1 ))
3.400 1.600 1.600 peak 446 weight 1.000000E+00 volume 1.08580E+00 ppm1 1.321 ppm2 3.126 CV 1
ASSI { 441}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 15 and name HB ))
3.400 1.600 1.600 peak 447 weight 1.000000E+00 volume 5.78590E+00 ppm1 1.322 ppm2 3.749 CV 1
ASSI { 442}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 43 and name HA ))
3.400 1.600 1.600 peak 448 weight 1.000000E+00 volume 2.22400E+00 ppm1 1.324 ppm2 4.403 CV 1
ASSI { 453}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 14 and name HB2 ))
3.400 1.600 1.600 peak 461 weight 1.000000E+00 volume 4.33000E+00 ppm1 3.705 ppm2 2.449 CV 1
ASSI { 454}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.600 1.600 peak 462 weight 1.000000E+00 volume 4.60030E+00 ppm1 3.706 ppm2 1.870 CV 1
ASSI { 458}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.600 1.600 peak 466 weight 1.000000E+00 volume 5.89800E-01 ppm1 5.195 ppm2 2.037 CV 1
ASSI { 459}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 467 weight 1.000000E+00 volume 3.07000E-01 ppm1 5.200 ppm2 1.871 CV 1
ASSI { 460}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 469 weight 1.000000E+00 volume 5.28450E+00 ppm1 2.765 ppm2 1.853 CV 1
ASSI { 461}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 470 weight 1.000000E+00 volume 4.04720E+00 ppm1 3.189 ppm2 1.863 CV 1
OR { 461}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
OR { 461}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 4 and name HB1 ))
OR { 461}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 462}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 55 and name HB ))
3.400 1.600 1.600 peak 471 weight 1.000000E+00 volume 5.30100E-01 ppm1 3.195 ppm2 2.062 CV 1
OR { 462}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 3 and name HB2 ))
OR { 462}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 38 and name HB1 ))
OR { 462}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 4 and name HB2 ))
ASSI { 463}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
3.400 1.600 1.600 peak 472 weight 1.000000E+00 volume 2.97310E+00 ppm1 1.879 ppm2 3.167 CV 1
ASSI { 464}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.600 1.600 peak 473 weight 1.000000E+00 volume 2.17130E+00 ppm1 1.877 ppm2 2.734 CV 1
ASSI { 465}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 474 weight 1.000000E+00 volume 9.73500E-01 ppm1 5.537 ppm2 3.712 CV 1
ASSI { 466}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 475 weight 1.000000E+00 volume 1.67350E+00 ppm1 2.732 ppm2 3.692 CV 1
ASSI { 467}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 476 weight 1.000000E+00 volume 8.27700E-01 ppm1 2.835 ppm2 3.688 CV 1
ASSI { 468}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 26 and name HB1 ))
3.400 1.600 1.600 peak 477 weight 1.000000E+00 volume 1.43330E+00 ppm1 3.706 ppm2 2.712 CV 1
ASSI { 469}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 26 and name HB2 ))
3.400 1.600 1.600 peak 478 weight 1.000000E+00 volume 1.56590E+00 ppm1 3.704 ppm2 2.826 CV 1
ASSI { 470}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 26 and name HB2 ))
3.400 1.600 1.600 peak 479 weight 1.000000E+00 volume 4.49300E-01 ppm1 2.220 ppm2 2.824 CV 1
ASSI { 471}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 10 and name HB1 ))
3.400 1.600 1.600 peak 480 weight 1.000000E+00 volume 5.50900E-01 ppm1 2.835 ppm2 2.196 CV 1
ASSI { 472}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.600 1.600 peak 481 weight 1.000000E+00 volume 1.17200E+00 ppm1 2.503 ppm2 3.557 CV 1
ASSI { 473}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.600 1.600 peak 482 weight 1.000000E+00 volume 2.72290E+00 ppm1 3.346 ppm2 3.559 CV 1
ASSI { 474}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 17 and name HA ))
3.400 1.600 1.600 peak 483 weight 1.000000E+00 volume 1.38120E+00 ppm1 3.571 ppm2 5.982 CV 1
ASSI { 475}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 17 and name HA ))
3.400 1.600 1.600 peak 484 weight 1.000000E+00 volume 3.16300E-01 ppm1 2.905 ppm2 5.983 CV 1
ASSI { 476}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 17 and name HB1 ))
3.400 1.600 1.600 peak 485 weight 1.000000E+00 volume 1.58190E+00 ppm1 3.574 ppm2 2.491 CV 1
ASSI { 477}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 17 and name HB2 ))
3.400 1.600 1.600 peak 486 weight 1.000000E+00 volume 2.63640E+00 ppm1 3.575 ppm2 3.329 CV 1
ASSI { 478}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HB1 ))
3.400 1.600 1.600 peak 487 weight 1.000000E+00 volume 1.87780E+00 ppm1 5.088 ppm2 2.141 CV 1
ASSI { 479}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HG2 ))
3.400 1.600 1.600 peak 488 weight 1.000000E+00 volume 1.60530E+00 ppm1 5.085 ppm2 1.945 CV 1
ASSI { 480}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 489 weight 1.000000E+00 volume 3.34700E-01 ppm1 5.087 ppm2 1.309 CV 1
ASSI { 481}
(( segid " " and resid 28 and name HD1 ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 490 weight 1.000000E+00 volume 4.72300E-01 ppm1 3.813 ppm2 3.240 CV 1
ASSI { 482}
(( segid " " and resid 28 and name HD1 ))
(( segid " " and resid 27 and name HB1 ))
3.400 1.600 1.600 peak 491 weight 1.000000E+00 volume 5.38200E-01 ppm1 3.815 ppm2 3.124 CV 1
ASSI { 483}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HB1 ))
3.400 1.600 1.600 peak 492 weight 1.000000E+00 volume 1.48300E+00 ppm1 3.909 ppm2 3.125 CV 1
ASSI { 484}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 493 weight 1.000000E+00 volume 4.36200E-01 ppm1 3.915 ppm2 3.244 CV 1
ASSI { 485}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 494 weight 1.000000E+00 volume 2.99300E-01 ppm1 3.258 ppm2 3.963 CV 1
ASSI { 486}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 495 weight 1.000000E+00 volume 1.01280E+00 ppm1 3.147 ppm2 3.967 CV 1
ASSI { 487}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 42 and name HA ))
3.400 1.600 1.600 peak 496 weight 1.000000E+00 volume 7.37200E-01 ppm1 2.776 ppm2 5.505 CV 1
ASSI { 488}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 54 and name HB2 ))
3.400 1.600 1.600 peak 497 weight 1.000000E+00 volume 1.85930E+00 ppm1 2.313 ppm2 2.764 CV 1
ASSI { 489}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 2 and name HG21))
3.400 1.600 1.600 peak 498 weight 1.000000E+00 volume 4.62220E+00 ppm1 3.704 ppm2 0.882 CV 1
ASSI { 490}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 2 and name HG21))
3.400 1.600 1.600 peak 499 weight 1.000000E+00 volume 4.28470E+00 ppm1 2.216 ppm2 0.890 CV 1
ASSI { 491}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 8 and name HB2 ))
3.400 1.600 1.600 peak 500 weight 1.000000E+00 volume 6.18030E+00 ppm1 2.076 ppm2 3.090 CV 1
ASSI { 492}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 43 and name HA ))
3.400 1.600 1.600 peak 501 weight 1.000000E+00 volume 7.19300E-01 ppm1 4.197 ppm2 4.408 CV 1
ASSI { 493}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 32 and name HA ))
3.400 1.600 1.600 peak 502 weight 1.000000E+00 volume 1.73270E+00 ppm1 4.414 ppm2 4.184 CV 1
ASSI { 494}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 56 and name HB2 ))
3.400 1.600 1.600 peak 503 weight 1.000000E+00 volume 9.80100E-01 ppm1 6.945 ppm2 3.633 CV 1
ASSI { 495}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 56 and name HB2 ))
3.400 1.600 1.600 peak 504 weight 1.000000E+00 volume 4.11400E-01 ppm1 6.842 ppm2 3.635 CV 1
ASSI { 496}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 56 and name HB1 ))
3.400 1.600 1.600 peak 505 weight 1.000000E+00 volume 8.42700E-01 ppm1 6.844 ppm2 3.439 CV 1
ASSI { 497}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 56 and name HB1 ))
3.400 1.600 1.600 peak 506 weight 1.000000E+00 volume 5.30000E-01 ppm1 6.942 ppm2 3.432 CV 1
ASSI { 500}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 56 and name HA ))
3.400 1.600 1.600 peak 509 weight 1.000000E+00 volume 7.27800E-01 ppm1 6.942 ppm2 4.119 CV 1
ASSI { 501}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 56 and name HA ))
3.400 1.600 1.600 peak 510 weight 1.000000E+00 volume 3.01600E-01 ppm1 6.846 ppm2 4.102 CV 1
ASSI { 502}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 43 and name HG1 ))
3.400 1.600 1.600 peak 511 weight 1.000000E+00 volume 4.46500E-01 ppm1 6.842 ppm2 1.583 CV 1
ASSI { 503}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 43 and name HG1 ))
3.400 1.600 1.600 peak 512 weight 1.000000E+00 volume 1.86750E+00 ppm1 6.946 ppm2 1.588 CV 1
ASSI { 504}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 43 and name HB1 ))
3.400 1.600 1.600 peak 513 weight 1.000000E+00 volume 2.20330E+00 ppm1 6.843 ppm2 1.838 CV 1
ASSI { 505}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 43 and name HB1 ))
3.400 1.600 1.600 peak 514 weight 1.000000E+00 volume 4.66880E+00 ppm1 6.944 ppm2 1.836 CV 1
ASSI { 506}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 43 and name HG2 ))
3.400 1.600 1.600 peak 515 weight 1.000000E+00 volume 4.71500E-01 ppm1 6.942 ppm2 1.767 CV 1
ASSI { 507}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 43 and name HB2 ))
3.400 1.600 1.600 peak 516 weight 1.000000E+00 volume 5.25300E-01 ppm1 6.844 ppm2 2.326 CV 1
ASSI { 508}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 43 and name HB2 ))
3.400 1.600 1.600 peak 517 weight 1.000000E+00 volume 2.63720E+00 ppm1 6.943 ppm2 2.322 CV 1
ASSI { 509}
(( segid " " and resid 46 and name HE1 ))
(( segid " " and resid 54 and name HB2 ))
3.400 1.600 1.600 peak 518 weight 1.000000E+00 volume 9.29000E-01 ppm1 6.843 ppm2 2.765 CV 1
ASSI { 510}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 54 and name HB2 ))
3.400 1.600 1.600 peak 519 weight 1.000000E+00 volume 6.68010E+00 ppm1 6.945 ppm2 2.769 CV 1
ASSI { 511}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 47 and name HG1 ))
3.400 1.600 1.600 peak 520 weight 1.000000E+00 volume 1.13520E+00 ppm1 6.942 ppm2 1.457 CV 1
OR { 511}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 55 and name HG12))
OR { 511}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 47 and name HG2 ))
OR { 511}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 44 and name HB1 ))
OR { 511}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 55 and name HG12))
ASSI { 512}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 18 and name HG2 ))
3.400 1.600 1.600 peak 521 weight 1.000000E+00 volume 4.08000E-01 ppm1 6.958 ppm2 1.983 CV 1
ASSI { 513}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 18 and name HG2 ))
3.400 1.600 1.600 peak 522 weight 1.000000E+00 volume 3.61200E-01 ppm1 7.253 ppm2 1.987 CV 1
ASSI { 514}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.600 1.600 peak 523 weight 1.000000E+00 volume 3.94370E+00 ppm1 7.255 ppm2 1.650 CV 1
ASSI { 515}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.600 1.600 peak 524 weight 1.000000E+00 volume 3.37700E-01 ppm1 6.762 ppm2 1.659 CV 1
ASSI { 516}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.600 1.600 peak 525 weight 1.000000E+00 volume 4.02000E-01 ppm1 6.761 ppm2 2.756 CV 1
ASSI { 517}
(( segid " " and resid 24 and name HE3 ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.600 1.600 peak 526 weight 1.000000E+00 volume 1.57240E+00 ppm1 7.254 ppm2 2.754 CV 1
ASSI { 525}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 18 and name HD1 ))
3.400 1.600 1.600 peak 534 weight 1.000000E+00 volume 2.93750E+00 ppm1 6.953 ppm2 3.817 CV 1
ASSI { 526}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 535 weight 1.000000E+00 volume 7.48680E+00 ppm1 6.955 ppm2 4.042 CV 1
ASSI { 527}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 18 and name HD1 ))
3.400 1.600 1.600 peak 536 weight 1.000000E+00 volume 1.34050E+00 ppm1 7.255 ppm2 3.814 CV 1
ASSI { 528}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 537 weight 1.000000E+00 volume 3.71790E+00 ppm1 7.254 ppm2 4.041 CV 1
ASSI { 529}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 18 and name HA ))
3.400 1.600 1.600 peak 538 weight 1.000000E+00 volume 1.72370E+00 ppm1 6.761 ppm2 3.997 CV 1
ASSI { 530}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 18 and name HA ))
3.400 1.600 1.600 peak 539 weight 1.000000E+00 volume 4.06060E+00 ppm1 7.250 ppm2 3.991 CV 1
ASSI { 531}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 20 and name HA ))
3.400 1.600 1.600 peak 540 weight 1.000000E+00 volume 4.70500E-01 ppm1 7.254 ppm2 4.444 CV 1
OR { 531}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 23 and name HA ))
OR { 531}
(( segid " " and resid 24 and name HE3 ))
(( segid " " and resid 20 and name HA ))
OR { 531}
(( segid " " and resid 24 and name HE3 ))
(( segid " " and resid 23 and name HA ))
ASSI { 532}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 23 and name HA ))
3.400 1.600 1.600 peak 541 weight 1.000000E+00 volume 6.58100E-01 ppm1 6.759 ppm2 4.441 CV 1
ASSI { 535}
(( segid " " and resid 24 and name HE3 ))
(( segid " " and resid 16 and name HA ))
3.400 1.600 1.600 peak 544 weight 1.000000E+00 volume 1.03430E+00 ppm1 7.254 ppm2 5.193 CV 1
ASSI { 536}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 17 and name HA ))
3.400 1.600 1.600 peak 545 weight 1.000000E+00 volume 2.64680E+00 ppm1 7.255 ppm2 5.980 CV 1
ASSI { 537}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 17 and name HA ))
3.400 1.600 1.600 peak 546 weight 1.000000E+00 volume 2.66660E+00 ppm1 6.954 ppm2 5.983 CV 1
ASSI { 540}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 31 and name HA ))
3.400 1.600 1.600 peak 549 weight 1.000000E+00 volume 7.30500E-01 ppm1 7.622 ppm2 3.985 CV 1
OR { 540}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 23 and name HB ))
OR { 540}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 6 and name HA1 ))
ASSI { 543}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 23 and name HA ))
3.400 1.600 1.600 peak 552 weight 1.000000E+00 volume 1.03110E+00 ppm1 7.621 ppm2 4.439 CV 1
ASSI { 544}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 24 and name HB2 ))
3.400 1.600 1.600 peak 553 weight 1.000000E+00 volume 9.29300E-01 ppm1 7.622 ppm2 3.169 CV 1
ASSI { 547}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 24 and name HB1 ))
3.400 1.600 1.600 peak 556 weight 1.000000E+00 volume 2.07000E+00 ppm1 7.548 ppm2 2.354 CV 1
ASSI { 549}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 23 and name HG21))
3.400 1.600 1.600 peak 558 weight 1.000000E+00 volume 3.55420E+00 ppm1 7.620 ppm2 1.100 CV 1
OR { 549}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 33 and name HG21))
OR { 549}
(( segid " " and resid 8 and name HZ ))
(( segid " " and resid 22 and name HG21))
ASSI { 551}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HG2 ))
3.400 1.600 1.600 peak 560 weight 1.000000E+00 volume 9.97100E-01 ppm1 5.996 ppm2 1.988 CV 1
ASSI { 552}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.600 1.600 peak 561 weight 1.000000E+00 volume 2.26450E+00 ppm1 5.994 ppm2 1.655 CV 1
ASSI { 553}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 562 weight 1.000000E+00 volume 4.46000E-01 ppm1 5.991 ppm2 1.261 CV 1
ASSI { 554}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HG12))
3.400 1.600 1.600 peak 563 weight 1.000000E+00 volume 9.66400E-01 ppm1 5.694 ppm2 1.454 CV 1
ASSI { 555}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HG11))
3.400 1.600 1.600 peak 564 weight 1.000000E+00 volume 1.06750E+00 ppm1 5.693 ppm2 1.015 CV 1
ASSI { 556}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 565 weight 1.000000E+00 volume 1.32040E+00 ppm1 5.614 ppm2 1.311 CV 1
ASSI { 557}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HG1 ))
3.400 1.600 1.600 peak 566 weight 1.000000E+00 volume 1.84140E+00 ppm1 5.519 ppm2 1.582 CV 1
ASSI { 558}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HG2 ))
3.400 1.600 1.600 peak 567 weight 1.000000E+00 volume 3.53590E+00 ppm1 5.518 ppm2 1.780 CV 1
ASSI { 559}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 568 weight 1.000000E+00 volume 8.66900E-01 ppm1 5.200 ppm2 0.882 CV 1
OR { 559}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 2 and name HG11))
OR { 559}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 55 and name HD11))
OR { 559}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 2 and name HG11))
ASSI { 560}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 569 weight 1.000000E+00 volume 4.48100E-01 ppm1 5.204 ppm2 1.270 CV 1
ASSI { 561}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 570 weight 1.000000E+00 volume 2.58640E+00 ppm1 5.045 ppm2 0.961 CV 1
ASSI { 562}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 571 weight 1.000000E+00 volume 1.95740E+00 ppm1 4.976 ppm2 0.908 CV 1
OR { 562}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 2 and name HG11))
OR { 562}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 2 and name HG21))
ASSI { 563}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 2 and name HB ))
3.400 1.600 1.600 peak 572 weight 1.000000E+00 volume 3.69000E-01 ppm1 4.978 ppm2 1.696 CV 1
ASSI { 564}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.600 1.600 peak 573 weight 1.000000E+00 volume 9.09500E-01 ppm1 4.975 ppm2 1.870 CV 1
ASSI { 565}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 574 weight 1.000000E+00 volume 4.54100E-01 ppm1 4.978 ppm2 2.443 CV 1
ASSI { 566}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 575 weight 1.000000E+00 volume 3.67250E+00 ppm1 4.908 ppm2 2.134 CV 1
OR { 566}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 28 and name HB1 ))
OR { 566}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HB1 ))
OR { 566}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 567}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 19 and name HG21))
3.400 1.600 1.600 peak 576 weight 1.000000E+00 volume 1.90680E+00 ppm1 4.880 ppm2 1.031 CV 1
ASSI { 568}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.600 1.600 peak 577 weight 1.000000E+00 volume 1.24960E+00 ppm1 4.879 ppm2 1.671 CV 1
ASSI { 569}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 18 and name HB1 ))
3.400 1.600 1.600 peak 578 weight 1.000000E+00 volume 6.89700E-01 ppm1 4.882 ppm2 1.599 CV 1
ASSI { 570}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 579 weight 1.000000E+00 volume 4.13200E-01 ppm1 4.906 ppm2 1.295 CV 1
ASSI { 571}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HG2 ))
3.400 1.600 1.600 peak 580 weight 1.000000E+00 volume 4.15300E-01 ppm1 4.909 ppm2 1.941 CV 1
ASSI { 572}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 2 and name HG21))
3.400 1.600 1.600 peak 581 weight 1.000000E+00 volume 7.11200E+00 ppm1 4.407 ppm2 0.913 CV 1
ASSI { 573}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 582 weight 1.000000E+00 volume 3.88010E+00 ppm1 4.417 ppm2 1.310 CV 1
ASSI { 574}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 17 and name HB2 ))
3.400 1.600 1.600 peak 583 weight 1.000000E+00 volume 3.48260E+00 ppm1 3.829 ppm2 3.332 CV 1
ASSI { 575}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.600 1.600 peak 584 weight 1.000000E+00 volume 3.67640E+00 ppm1 3.830 ppm2 3.562 CV 1
ASSI { 576}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
3.400 1.600 1.600 peak 585 weight 1.000000E+00 volume 2.49790E+00 ppm1 4.057 ppm2 3.330 CV 1
ASSI { 577}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HB1 ))
3.400 1.600 1.600 peak 586 weight 1.000000E+00 volume 4.99200E-01 ppm1 4.059 ppm2 2.496 CV 1
ASSI { 578}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 42 and name HB2 ))
3.400 1.600 1.600 peak 587 weight 1.000000E+00 volume 2.97500E-01 ppm1 4.052 ppm2 2.891 CV 1
OR { 578}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 43 and name HD1 ))
OR { 578}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 34 and name HB1 ))
ASSI { 579}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 34 and name HB1 ))
3.400 1.600 1.600 peak 588 weight 1.000000E+00 volume 6.81500E-01 ppm1 3.828 ppm2 2.890 CV 1
ASSI { 580}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.600 1.600 peak 589 weight 1.000000E+00 volume 8.65300E-01 ppm1 4.051 ppm2 3.557 CV 1
ASSI { 581}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 2 and name HB ))
3.400 1.600 1.600 peak 590 weight 1.000000E+00 volume 1.70790E+00 ppm1 3.707 ppm2 1.692 CV 1
ASSI { 583}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 1 and name HB1 ))
3.400 1.600 1.600 peak 592 weight 1.000000E+00 volume 1.65550E+00 ppm1 3.623 ppm2 2.539 CV 1
ASSI { 584}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 593 weight 1.000000E+00 volume 2.69590E+00 ppm1 3.621 ppm2 2.658 CV 1
ASSI { 585}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 594 weight 1.000000E+00 volume 6.58800E-01 ppm1 3.680 ppm2 2.659 CV 1
ASSI { 586}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 595 weight 1.000000E+00 volume 2.76410E+00 ppm1 3.488 ppm2 0.883 CV 1
ASSI { 587}
(( segid " " and resid 50 and name HD2 ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 596 weight 1.000000E+00 volume 4.44550E+00 ppm1 3.673 ppm2 0.880 CV 1
ASSI { 588}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 43 and name HB2 ))
3.400 1.600 1.600 peak 599 weight 1.000000E+00 volume 3.98380E+00 ppm1 3.344 ppm2 2.299 CV 1
ASSI { 589}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 600 weight 1.000000E+00 volume 1.07708E+01 ppm1 3.255 ppm2 1.300 CV 1
ASSI { 590}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 601 weight 1.000000E+00 volume 8.32110E+00 ppm1 3.148 ppm2 1.302 CV 1
ASSI { 595}
(( segid " " and resid 22 and name HG21))
(( segid " " and resid 21 and name HG2 ))
3.400 1.600 1.600 peak 606 weight 1.000000E+00 volume 2.65620E+00 ppm1 1.149 ppm2 2.500 CV 1
ASSI { 596}
(( segid " " and resid 22 and name HG21))
(( segid " " and resid 21 and name HB2 ))
3.400 1.600 1.600 peak 607 weight 1.000000E+00 volume 4.12650E+00 ppm1 1.150 ppm2 2.212 CV 1
ASSI { 597}
(( segid " " and resid 22 and name HG21))
(( segid " " and resid 21 and name HB1 ))
3.400 1.600 1.600 peak 608 weight 1.000000E+00 volume 1.58720E+00 ppm1 1.147 ppm2 2.149 CV 1
ASSI { 598}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HG21))
3.400 1.600 1.600 peak 609 weight 1.000000E+00 volume 3.60240E+00 ppm1 2.229 ppm2 1.131 CV 1
ASSI { 599}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 22 and name HG21))
3.400 1.600 1.600 peak 610 weight 1.000000E+00 volume 5.30730E+00 ppm1 2.163 ppm2 1.129 CV 1
ASSI { 601}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 612 weight 1.000000E+00 volume 3.80540E+00 ppm1 4.611 ppm2 0.882 CV 1
ASSI { 602}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 43 and name HA ))
3.400 1.600 1.600 peak 613 weight 1.000000E+00 volume 7.06600E-01 ppm1 3.791 ppm2 4.407 CV 1
ASSI { 604}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 29 and name HB1 ))
3.400 1.600 1.600 peak 615 weight 1.000000E+00 volume 2.84360E+00 ppm1 4.417 ppm2 3.778 CV 1
ASSI { 610}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 621 weight 1.000000E+00 volume 1.22403E+01 ppm1 3.790 ppm2 1.310 CV 1
ASSI { 611}
(( segid " " and resid 55 and name HG21))
(( segid " " and resid 50 and name HD1 ))
3.400 1.600 1.600 peak 622 weight 1.000000E+00 volume 3.77400E-01 ppm1 1.027 ppm2 3.472 CV 1
ASSI { 612}
(( segid " " and resid 55 and name HG21))
(( segid " " and resid 49 and name HA1 ))
3.400 1.600 1.600 peak 623 weight 1.000000E+00 volume 3.97600E-01 ppm1 1.022 ppm2 3.557 CV 1
ASSI { 613}
(( segid " " and resid 55 and name HD11))
(( segid " " and resid 50 and name HD1 ))
3.400 1.600 1.600 peak 624 weight 1.000000E+00 volume 1.62410E+00 ppm1 0.895 ppm2 3.470 CV 1
ASSI { 614}
(( segid " " and resid 55 and name HD11))
(( segid " " and resid 49 and name HA1 ))
3.400 1.600 1.600 peak 625 weight 1.000000E+00 volume 2.47720E+00 ppm1 0.895 ppm2 3.556 CV 1
ASSI { 615}
(( segid " " and resid 55 and name HD11))
(( segid " " and resid 50 and name HD2 ))
3.400 1.600 1.600 peak 626 weight 1.000000E+00 volume 2.31430E+00 ppm1 0.894 ppm2 3.666 CV 1
ASSI { 618}
(( segid " " and resid 19 and name HG21))
(( segid " " and resid 25 and name HA1 ))
3.400 1.600 1.600 peak 630 weight 1.000000E+00 volume 1.52180E+00 ppm1 1.044 ppm2 3.704 CV 1
ASSI { 619}
(( segid " " and resid 19 and name HG21))
(( segid " " and resid 25 and name HA2 ))
3.400 1.600 1.600 peak 631 weight 1.000000E+00 volume 6.26400E-01 ppm1 1.040 ppm2 4.603 CV 1
ASSI { 620}
(( segid " " and resid 19 and name HG21))
(( segid " " and resid 24 and name HA ))
3.400 1.600 1.600 peak 632 weight 1.000000E+00 volume 4.89300E-01 ppm1 1.042 ppm2 4.869 CV 1
OR { 620}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 24 and name HA ))
OR { 620}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 29 and name HA ))
ASSI { 622}
(( segid " " and resid 55 and name HG21))
(( segid " " and resid 53 and name HB ))
3.400 1.600 1.600 peak 634 weight 1.000000E+00 volume 1.47040E+00 ppm1 1.026 ppm2 4.151 CV 1
ASSI { 623}
(( segid " " and resid 2 and name HG21))
(( segid " " and resid 12 and name HA ))
3.400 1.600 1.600 peak 635 weight 1.000000E+00 volume 2.01010E+00 ppm1 0.931 ppm2 4.395 CV 1
ASSI { 624}
(( segid " " and resid 33 and name HG21))
(( segid " " and resid 44 and name HA ))
3.400 1.600 1.600 peak 636 weight 1.000000E+00 volume 9.46740E+00 ppm1 1.122 ppm2 4.155 CV 1
ASSI { 625}
(( segid " " and resid 33 and name HG21))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 637 weight 1.000000E+00 volume 6.94300E-01 ppm1 1.124 ppm2 2.304 CV 1
ASSI { 626}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 638 weight 1.000000E+00 volume 5.42340E+00 ppm1 1.885 ppm2 3.694 CV 1
ASSI { 627}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 639 weight 1.000000E+00 volume 9.05410E+00 ppm1 2.464 ppm2 3.693 CV 1
ASSI { 628}
(( segid " " and resid 33 and name HG11))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 640 weight 1.000000E+00 volume 2.73180E+00 ppm1 0.975 ppm2 2.299 CV 1
ASSI { 629}
(( segid " " and resid 2 and name HG21))
(( segid " " and resid 10 and name HB1 ))
3.400 1.600 1.600 peak 641 weight 1.000000E+00 volume 4.56800E-01 ppm1 0.930 ppm2 2.204 CV 1
ASSI { 630}
(( segid " " and resid 2 and name HG11))
(( segid " " and resid 10 and name HB1 ))
3.400 1.600 1.600 peak 642 weight 1.000000E+00 volume 6.55100E-01 ppm1 0.893 ppm2 2.206 CV 1
ASSI { 631}
(( segid " " and resid 55 and name HD11))
(( segid " " and resid 47 and name HE2 ))
3.400 1.600 1.600 peak 643 weight 1.000000E+00 volume 1.08610E+00 ppm1 0.895 ppm2 2.955 CV 1
ASSI { 632}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 47 and name HE2 ))
3.400 1.600 1.600 peak 644 weight 1.000000E+00 volume 4.06900E-01 ppm1 1.028 ppm2 2.950 CV 1
ASSI { 633}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 47 and name HD2 ))
3.400 1.600 1.600 peak 645 weight 1.000000E+00 volume 1.66400E+00 ppm1 1.067 ppm2 1.642 CV 1
ASSI { 634}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 47 and name HD2 ))
3.400 1.600 1.600 peak 646 weight 1.000000E+00 volume 1.20910E+00 ppm1 1.028 ppm2 1.637 CV 1
ASSI { 635}
(( segid " " and resid 19 and name HG21))
(( segid " " and resid 38 and name HB2 ))
3.400 1.600 1.600 peak 647 weight 1.000000E+00 volume 2.99800E-01 ppm1 1.048 ppm2 2.268 CV 1
OR { 635}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 38 and name HB2 ))
ASSI { 636}
(( segid " " and resid 33 and name HG21))
(( segid " " and resid 42 and name HB2 ))
3.400 1.600 1.600 peak 649 weight 1.000000E+00 volume 4.23200E-01 ppm1 1.124 ppm2 2.891 CV 1
ASSI { 637}
(( segid " " and resid 33 and name HG11))
(( segid " " and resid 42 and name HB2 ))
3.400 1.600 1.600 peak 650 weight 1.000000E+00 volume 1.00900E+00 ppm1 0.976 ppm2 2.880 CV 1
ASSI { 638}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 55 and name HG21))
3.400 1.600 1.600 peak 651 weight 1.000000E+00 volume 9.75800E-01 ppm1 4.169 ppm2 1.009 CV 1
ASSI { 639}
(( segid " " and resid 55 and name HD11))
(( segid " " and resid 49 and name HA2 ))
3.400 1.600 1.600 peak 652 weight 1.000000E+00 volume 1.38370E+00 ppm1 0.895 ppm2 4.594 CV 1
ASSI { 640}
(( segid " " and resid 55 and name HG11))
(( segid " " and resid 49 and name HA1 ))
3.400 1.600 1.600 peak 653 weight 1.000000E+00 volume 1.06010E+00 ppm1 1.070 ppm2 3.551 CV 1
ASSI { 641}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 655 weight 1.000000E+00 volume 4.74600E-01 ppm1 1.705 ppm2 3.693 CV 1
ASSI { 642}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 10 and name HB1 ))
3.400 1.600 1.600 peak 656 weight 1.000000E+00 volume 2.79870E+00 ppm1 1.713 ppm2 2.202 CV 1
ASSI { 643}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 29 and name HA ))
3.400 1.600 1.600 peak 657 weight 1.000000E+00 volume 3.75700E+00 ppm1 2.146 ppm2 4.894 CV 1
ASSI { 644}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 27 and name HA ))
3.400 1.600 1.600 peak 658 weight 1.000000E+00 volume 7.40400E-01 ppm1 2.160 ppm2 5.074 CV 1
ASSI { 645}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 27 and name HA ))
3.400 1.600 1.600 peak 659 weight 1.000000E+00 volume 4.45100E-01 ppm1 1.955 ppm2 5.071 CV 1
ASSI { 646}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 46 and name HB2 ))
3.400 1.600 1.600 peak 660 weight 1.000000E+00 volume 5.16810E+00 ppm1 2.313 ppm2 3.333 CV 1
ASSI { 648}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 8 and name HB1 ))
3.400 1.600 1.600 peak 662 weight 1.000000E+00 volume 2.70900E+00 ppm1 2.368 ppm2 3.088 CV 1
ASSI { 649}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 24 and name HB1 ))
3.400 1.600 1.600 peak 663 weight 1.000000E+00 volume 2.64730E+00 ppm1 3.129 ppm2 2.355 CV 1
ASSI { 650}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 24 and name HB1 ))
3.400 1.600 1.600 peak 664 weight 1.000000E+00 volume 1.95200E+00 ppm1 3.087 ppm2 2.357 CV 1
ASSI { 651}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.600 1.600 peak 665 weight 1.000000E+00 volume 1.87410E+00 ppm1 3.088 ppm2 2.061 CV 1
ASSI { 652}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.600 1.600 peak 666 weight 1.000000E+00 volume 2.22390E+00 ppm1 3.131 ppm2 2.067 CV 1
ASSI { 653}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 667 weight 1.000000E+00 volume 1.38630E+00 ppm1 3.135 ppm2 1.868 CV 1
ASSI { 654}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 668 weight 1.000000E+00 volume 1.15770E+00 ppm1 3.090 ppm2 1.865 CV 1
ASSI { 655}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 9 and name HB1 ))
3.400 1.600 1.600 peak 669 weight 1.000000E+00 volume 1.70440E+00 ppm1 2.675 ppm2 3.615 CV 1
ASSI { 656}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 9 and name HB1 ))
3.400 1.600 1.600 peak 670 weight 1.000000E+00 volume 1.27300E+00 ppm1 2.555 ppm2 3.611 CV 1
ASSI { 657}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 43 and name HD2 ))
3.400 1.600 1.600 peak 671 weight 1.000000E+00 volume 1.03180E+00 ppm1 2.778 ppm2 3.850 CV 1
ASSI { 658}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 46 and name HB2 ))
3.400 1.600 1.600 peak 672 weight 1.000000E+00 volume 1.47150E+00 ppm1 2.776 ppm2 3.333 CV 1
ASSI { 659}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 46 and name HB2 ))
3.400 1.600 1.600 peak 673 weight 1.000000E+00 volume 4.19100E-01 ppm1 5.521 ppm2 3.318 CV 1
ASSI { 661}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 19 and name HG21))
3.400 1.600 1.600 peak 675 weight 1.000000E+00 volume 6.18100E-01 ppm1 4.126 ppm2 1.023 CV 1
ASSI { 662}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 676 weight 1.000000E+00 volume 1.58280E+00 ppm1 4.688 ppm2 0.961 CV 1
ASSI { 674}
(( segid " " and resid 47 and name HD2 ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 688 weight 1.000000E+00 volume 1.91000E+00 ppm1 1.648 ppm2 0.875 CV 1
ASSI { 675}
(( segid " " and resid 47 and name HD2 ))
(( segid " " and resid 55 and name HG11))
3.400 1.600 1.600 peak 689 weight 1.000000E+00 volume 2.11500E+00 ppm1 1.645 ppm2 1.044 CV 1
ASSI { 676}
(( segid " " and resid 47 and name HD2 ))
(( segid " " and resid 55 and name HG21))
3.400 1.600 1.600 peak 690 weight 1.000000E+00 volume 2.18960E+00 ppm1 1.661 ppm2 1.018 CV 1
ASSI { 682}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 22 and name HG21))
3.400 1.600 1.600 peak 696 weight 1.000000E+00 volume 1.17210E+00 ppm1 2.510 ppm2 1.131 CV 1
ASSI { 683}
(( segid " " and resid 2 and name HG21))
(( segid " " and resid 10 and name HB2 ))
3.400 1.600 1.600 peak 697 weight 1.000000E+00 volume 2.81100E-01 ppm1 0.931 ppm2 3.705 CV 1
ASSI { 685}
(( segid " " and resid 2 and name HG21))
(( segid " " and resid 1 and name HB1 ))
3.400 1.600 1.600 peak 699 weight 1.000000E+00 volume 3.84800E-01 ppm1 0.923 ppm2 2.527 CV 1
OR { 685}
(( segid " " and resid 2 and name HG21))
(( segid " " and resid 12 and name HB1 ))
ASSI { 686}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 54 and name HB1 ))
3.400 1.600 1.600 peak 700 weight 1.000000E+00 volume 1.40000E+00 ppm1 2.891 ppm2 2.753 CV 1
ASSI { 687}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 54 and name HB1 ))
3.400 1.600 1.600 peak 701 weight 1.000000E+00 volume 6.16900E-01 ppm1 3.865 ppm2 2.760 CV 1
ASSI { 688}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HG2 ))
3.400 1.600 1.600 peak 702 weight 1.000000E+00 volume 1.22990E+00 ppm1 4.376 ppm2 2.462 CV 1
ASSI { 689}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HB2 ))
3.400 1.600 1.600 peak 703 weight 1.000000E+00 volume 2.00040E+00 ppm1 4.376 ppm2 2.270 CV 1
ASSI { 690}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 2 and name HG21))
3.400 1.600 1.600 peak 704 weight 1.000000E+00 volume 2.74710E+00 ppm1 4.538 ppm2 0.884 CV 1
ASSI { 691}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 50 and name HG2 ))
3.400 1.600 1.600 peak 708 weight 1.000000E+00 volume 1.21510E+00 ppm1 4.619 ppm2 2.061 CV 1
ASSI { 692}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 55 and name HG12))
3.400 1.600 1.600 peak 709 weight 1.000000E+00 volume 4.07200E-01 ppm1 4.617 ppm2 1.463 CV 1
ASSI { 693}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 710 weight 1.000000E+00 volume 2.96450E+00 ppm1 3.347 ppm2 4.045 CV 1
ASSI { 694}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HD1 ))
3.400 1.600 1.600 peak 711 weight 1.000000E+00 volume 3.71680E+00 ppm1 3.342 ppm2 3.821 CV 1
ASSI { 695}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 18 and name HD1 ))
3.400 1.600 1.600 peak 712 weight 1.000000E+00 volume 1.97780E+00 ppm1 3.572 ppm2 3.812 CV 1
ASSI { 696}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 713 weight 1.000000E+00 volume 1.15800E+00 ppm1 3.578 ppm2 4.043 CV 1
ASSI { 697}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 714 weight 1.000000E+00 volume 8.25500E-01 ppm1 2.909 ppm2 4.047 CV 1
ASSI { 698}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 18 and name HD2 ))
3.400 1.600 1.600 peak 715 weight 1.000000E+00 volume 3.30500E-01 ppm1 2.509 ppm2 4.038 CV 1
ASSI { 699}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 35 and name HA ))
3.400 1.600 1.600 peak 716 weight 1.000000E+00 volume 9.28500E-01 ppm1 3.066 ppm2 5.030 CV 1
ASSI { 700}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 1 and name HB1 ))
3.400 1.600 1.600 peak 717 weight 1.000000E+00 volume 3.12600E-01 ppm1 4.968 ppm2 2.547 CV 1
ASSI { 701}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 718 weight 1.000000E+00 volume 2.52500E-01 ppm1 4.971 ppm2 2.654 CV 1
ASSI { 702}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 26 and name HB1 ))
3.400 1.600 1.600 peak 719 weight 1.000000E+00 volume 7.21800E-01 ppm1 4.976 ppm2 2.705 CV 1
ASSI { 703}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 2 and name HG11))
3.400 1.600 1.600 peak 721 weight 1.000000E+00 volume 2.95200E-01 ppm1 4.314 ppm2 0.891 CV 1
ASSI { 704}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HB1 ))
3.400 1.600 1.600 peak 722 weight 1.000000E+00 volume 1.13690E+00 ppm1 4.417 ppm2 1.453 CV 1
ASSI { 705}
(( segid " " and resid 45 and name HA2 ))
(( segid " " and resid 44 and name HB1 ))
3.400 1.600 1.600 peak 723 weight 1.000000E+00 volume 4.24900E-01 ppm1 4.308 ppm2 1.460 CV 1
ASSI { 706}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HB ))
3.400 1.600 1.600 peak 724 weight 1.000000E+00 volume 2.18630E+00 ppm1 4.198 ppm2 1.812 CV 1
ASSI { 707}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 725 weight 1.000000E+00 volume 4.11380E+00 ppm1 4.165 ppm2 1.108 CV 1
ASSI { 709}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 55 and name HD11))
3.400 1.600 1.600 peak 727 weight 1.000000E+00 volume 5.68700E-01 ppm1 4.159 ppm2 0.885 CV 1
OR { 709}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 2 and name HG11))
OR { 709}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 55 and name HD11))
OR { 709}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 55 and name HD11))
ASSI { 710}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 728 weight 1.000000E+00 volume 5.03300E-01 ppm1 4.091 ppm2 1.306 CV 1
ASSI { 711}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 729 weight 1.000000E+00 volume 1.07370E+00 ppm1 3.980 ppm2 1.311 CV 1
ASSI { 712}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 730 weight 1.000000E+00 volume 7.69400E-01 ppm1 3.966 ppm2 1.275 CV 1
ASSI { 714}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 27 and name HA ))
3.400 1.600 1.600 peak 732 weight 1.000000E+00 volume 7.63800E-01 ppm1 3.761 ppm2 5.080 CV 1
ASSI { 716}
(( segid " " and resid 45 and name HA1 ))
(( segid " " and resid 44 and name HB1 ))
3.400 1.600 1.600 peak 734 weight 1.000000E+00 volume 1.21720E+00 ppm1 3.635 ppm2 1.456 CV 1
ASSI { 717}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 735 weight 1.000000E+00 volume 9.31000E-01 ppm1 3.320 ppm2 2.115 CV 1
ASSI { 718}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 736 weight 1.000000E+00 volume 2.33700E+00 ppm1 2.872 ppm2 2.107 CV 1
ASSI { 719}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 737 weight 1.000000E+00 volume 4.15880E+00 ppm1 3.089 ppm2 1.309 CV 1
ASSI { 720}
(( segid " " and resid 43 and name HD1 ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.600 1.600 peak 738 weight 1.000000E+00 volume 3.66400E-01 ppm1 2.888 ppm2 1.311 CV 1
ASSI { 722}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 39 and name HB1 ))
3.400 1.600 1.600 peak 741 weight 1.000000E+00 volume 1.00570E+00 ppm1 7.460 ppm2 1.557 CV 1
ASSI { 723}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 742 weight 1.000000E+00 volume 1.17920E+00 ppm1 7.251 ppm2 1.864 CV 1
OR { 723}
(( segid " " and resid 24 and name HH2 ))
(( segid " " and resid 14 and name HB1 ))
OR { 723}
(( segid " " and resid 24 and name HE3 ))
(( segid " " and resid 4 and name HB1 ))
OR { 723}
(( segid " " and resid 24 and name HE3 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 725}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 24 and name HB1 ))
3.400 1.600 1.600 peak 744 weight 1.000000E+00 volume 1.34920E+00 ppm1 4.010 ppm2 2.347 CV 1
ASSI { 726}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 745 weight 1.000000E+00 volume 2.11730E+00 ppm1 2.776 ppm2 2.294 CV 1
ASSI { 727}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 746 weight 1.000000E+00 volume 5.09730E+00 ppm1 2.840 ppm2 2.296 CV 1
OR { 727}
(( segid " " and resid 46 and name HB1 ))
(( segid " " and resid 42 and name HB1 ))
OR { 727}
(( segid " " and resid 46 and name HB1 ))
(( segid " " and resid 43 and name HB2 ))
OR { 727}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 728}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 14 and name HB2 ))
3.400 1.600 1.600 peak 747 weight 1.000000E+00 volume 1.49760E+00 ppm1 2.849 ppm2 2.452 CV 1
ASSI { 729}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 748 weight 1.000000E+00 volume 2.57600E-01 ppm1 1.319 ppm2 2.310 CV 1
OR { 729}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 43 and name HB2 ))
OR { 729}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 3 and name HG1 ))
ASSI { 730}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 31 and name HB1 ))
3.400 1.600 1.600 peak 749 weight 1.000000E+00 volume 3.81300E-01 ppm1 1.317 ppm2 1.819 CV 1
OR { 730}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 47 and name HB2 ))
OR { 730}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 33 and name HB ))
OR { 730}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 47 and name HB1 ))
OR { 730}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 43 and name HB1 ))
ASSI { 731}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 29 and name HB2 ))
3.400 1.600 1.600 peak 750 weight 1.000000E+00 volume 7.09020E+00 ppm1 1.322 ppm2 3.789 CV 1
ASSI { 732}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 11 and name HB2 ))
3.400 1.600 1.600 peak 751 weight 1.000000E+00 volume 1.05450E+00 ppm1 2.118 ppm2 3.304 CV 1
ASSI { 733}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 11 and name HB1 ))
3.400 1.600 1.600 peak 752 weight 1.000000E+00 volume 2.32380E+00 ppm1 2.110 ppm2 2.853 CV 1
ASSI { 734}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 753 weight 1.000000E+00 volume 3.24200E-01 ppm1 3.981 ppm2 3.250 CV 1
ASSI { 735}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 9 and name HA ))
3.400 1.600 1.600 peak 754 weight 1.000000E+00 volume 1.03630E+00 ppm1 4.307 ppm2 5.190 CV 1
OR { 735}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 16 and name HA ))
ASSI { 736}
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 45 and name HA2 ))
3.400 1.600 1.600 peak 755 weight 1.000000E+00 volume 4.96000E-01 ppm1 6.944 ppm2 4.295 CV 1
OR { 736}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 4 and name HA ))
ASSI { 738}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 757 weight 1.000000E+00 volume 7.77600E-01 ppm1 6.755 ppm2 1.881 CV 1
OR { 738}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 14 and name HB1 ))
OR { 738}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 740}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 759 weight 1.000000E+00 volume 8.69900E-01 ppm1 6.953 ppm2 1.858 CV 1
OR { 740}
(( segid " " and resid 24 and name HZ3 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 741}
(( segid " " and resid 24 and name HZ2 ))
(( segid " " and resid 5 and name HA1 ))
3.400 1.600 1.600 peak 760 weight 1.000000E+00 volume 1.54800E-01 ppm1 7.479 ppm2 3.666 CV 1
OR { 741}
(( segid " " and resid 24 and name HZ2 ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 742}
(( segid " " and resid 24 and name HZ2 ))
(( segid " " and resid 5 and name HA2 ))
3.400 1.600 1.600 peak 761 weight 1.000000E+00 volume 1.21760E+00 ppm1 7.483 ppm2 4.081 CV 1
OR { 742}
(( segid " " and resid 3 and name HE22))
(( segid " " and resid 33 and name HA ))
OR { 742}
(( segid " " and resid 3 and name HE22))
(( segid " " and resid 2 and name HA ))
OR { 742}
(( segid " " and resid 3 and name HE22))
(( segid " " and resid 5 and name HA2 ))
ASSI { 747}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 55 and name HG21))
3.400 1.600 1.600 peak 768 weight 1.000000E+00 volume 6.79700E-01 ppm1 3.479 ppm2 1.013 CV 1
OR { 747}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 55 and name HG11))
ASSI { 749}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 47 and name HG1 ))
3.400 1.600 1.600 peak 770 weight 1.000000E+00 volume 1.78300E-01 ppm1 3.484 ppm2 1.446 CV 1
OR { 749}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 55 and name HG12))
OR { 749}
(( segid " " and resid 50 and name HD1 ))
(( segid " " and resid 47 and name HG2 ))
ASSI { 750}
(( segid " " and resid 7 and name HA2 ))
(( segid " " and resid 43 and name HG1 ))
3.400 1.600 1.600 peak 771 weight 1.000000E+00 volume 4.11500E-01 ppm1 4.183 ppm2 1.592 CV 1
OR { 750}
(( segid " " and resid 7 and name HA2 ))
(( segid " " and resid 18 and name HB1 ))
OR { 750}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 18 and name HB1 ))
OR { 750}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 43 and name HG1 ))
OR { 750}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 47 and name HD1 ))
ASSI { 751}
(( segid " " and resid 33 and name HG11))
(( segid " " and resid 40 and name HA ))
3.400 1.600 1.600 peak 772 weight 1.000000E+00 volume 3.73400E-01 ppm1 0.975 ppm2 5.033 CV 1
OR { 751}
(( segid " " and resid 33 and name HG11))
(( segid " " and resid 35 and name HA ))
ASSI { 752}
(( segid " " and resid 53 and name HG21))
(( segid " " and resid 51 and name HA1 ))
3.400 1.600 1.600 peak 773 weight 1.000000E+00 volume 6.12100E-01 ppm1 1.257 ppm2 3.884 CV 1
ASSI { 755}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HA1 ))
3.400 1.600 1.600 peak 777 weight 1.000000E+00 volume 3.83800E-01 ppm1 4.529 ppm2 3.885 CV 1
OR { 755}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 51 and name HA1 ))
OR { 755}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 28 and name HD2 ))
ASSI { 759}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.600 1.600 peak 781 weight 1.000000E+00 volume 2.20960E+00 ppm1 2.838 ppm2 1.863 CV 1
OR { 759}
(( segid " " and resid 46 and name HB1 ))
(( segid " " and resid 43 and name HB1 ))
OR { 759}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 4 and name HB1 ))
OR { 759}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 760}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HB2 ))
3.400 1.600 1.600 peak 782 weight 1.000000E+00 volume 4.87900E-01 ppm1 3.253 ppm2 2.490 CV 1
OR { 760}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 17 and name HB1 ))
OR { 760}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 21 and name HG2 ))
OR { 760}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 21 and name HG1 ))
ASSI { 762}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 35 and name HB1 ))
3.400 1.600 1.600 peak 785 weight 1.000000E+00 volume 3.01900E-01 ppm1 3.108 ppm2 2.936 CV 1
OR { 762}
(( segid " " and resid 52 and name HA1 ))
(( segid " " and resid 47 and name HE2 ))
OR { 762}
(( segid " " and resid 52 and name HA1 ))
(( segid " " and resid 47 and name HE1 ))
# Restraints file 3: n15noesy.tbl
ASSI { 9}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 9 weight 1.000000E+00 volume 6.54863E+01 ppm1 8.390 ppm2 2.651 CV 1
ASSI { 10}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB1 ))
3.400 1.600 1.600 peak 10 weight 1.000000E+00 volume 2.06698E+01 ppm1 8.390 ppm2 2.509 CV 1
ASSI { 11}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
3.400 1.600 1.600 peak 12 weight 1.000000E+00 volume 1.51397E+02 ppm1 8.391 ppm2 4.722 CV 1
ASSI { 12}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
3.400 1.600 1.600 peak 13 weight 1.000000E+00 volume 2.91336E+02 ppm1 8.545 ppm2 4.091 CV 1
ASSI { 15}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
3.400 1.600 1.600 peak 16 weight 1.000000E+00 volume 1.49730E+00 ppm1 8.543 ppm2 1.683 CV 1
ASSI { 16}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HG11))
3.400 1.600 1.600 peak 17 weight 1.000000E+00 volume 5.34501E+01 ppm1 8.547 ppm2 0.885 CV 1
ASSI { 20}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.400 1.600 1.600 peak 21 weight 1.000000E+00 volume 1.94968E+02 ppm1 8.600 ppm2 4.137 CV 1
ASSI { 21}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG2 ))
3.400 1.600 1.600 peak 22 weight 1.000000E+00 volume 1.78350E+00 ppm1 8.593 ppm2 2.401 CV 1
ASSI { 25}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.400 1.600 1.600 peak 26 weight 1.000000E+00 volume 1.76200E+00 ppm1 7.209 ppm2 4.320 CV 1
ASSI { 28}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.600 1.600 peak 29 weight 1.000000E+00 volume 3.33517E+01 ppm1 7.208 ppm2 2.041 CV 1
ASSI { 29}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB1 ))
3.400 1.600 1.600 peak 30 weight 1.000000E+00 volume 5.26200E-01 ppm1 7.209 ppm2 1.846 CV 1
ASSI { 30}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA1 ))
3.400 1.600 1.600 peak 31 weight 1.000000E+00 volume 2.15464E+01 ppm1 8.630 ppm2 3.676 CV 1
ASSI { 35}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA2 ))
3.400 1.600 1.600 peak 36 weight 1.000000E+00 volume 1.21148E+01 ppm1 7.874 ppm2 4.176 CV 1
ASSI { 36}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA1 ))
3.400 1.600 1.600 peak 37 weight 1.000000E+00 volume 3.33559E+01 ppm1 7.873 ppm2 3.705 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.400 1.600 1.600 peak 39 weight 1.000000E+00 volume 3.57894E+01 ppm1 8.266 ppm2 3.086 CV 1
ASSI { 40}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
3.400 1.600 1.600 peak 41 weight 1.000000E+00 volume 2.85882E+02 ppm1 8.268 ppm2 4.712 CV 1
ASSI { 42}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
3.400 1.600 1.600 peak 43 weight 1.000000E+00 volume 1.30249E+02 ppm1 8.773 ppm2 5.178 CV 1
ASSI { 43}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.400 1.600 1.600 peak 44 weight 1.000000E+00 volume 1.34581E+02 ppm1 8.772 ppm2 3.636 CV 1
ASSI { 46}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 2 and name HB ))
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3.400 1.600 1.600 peak 110 weight 1.000000E+00 volume 3.94190E+00 ppm1 8.055 ppm2 1.058 CV 1
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3.400 1.600 1.600 peak 123 weight 1.000000E+00 volume 8.76330E+00 ppm1 6.469 ppm2 4.443 CV 1
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3.400 1.600 1.600 peak 129 weight 1.000000E+00 volume 6.88643E+01 ppm1 8.491 ppm2 3.715 CV 1
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3.400 1.600 1.600 peak 146 weight 1.000000E+00 volume 6.36800E-01 ppm1 8.185 ppm2 1.437 CV 1
ASSI { 140}
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ASSI { 159}
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3.400 1.600 1.600 peak 235 weight 1.000000E+00 volume 3.36018E+01 ppm1 9.424 ppm2 3.975 CV 1
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3.400 1.600 1.600 peak 236 weight 1.000000E+00 volume 8.01534E+01 ppm1 9.423 ppm2 3.075 CV 1
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ASSI { 233}
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3.400 1.600 1.600 peak 248 weight 1.000000E+00 volume 1.86830E+02 ppm1 8.839 ppm2 1.309 CV 1
ASSI { 238}
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3.400 1.600 1.600 peak 251 weight 1.000000E+00 volume 1.79131E+02 ppm1 8.839 ppm2 4.179 CV 1
ASSI { 239}
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3.400 1.600 1.600 peak 255 weight 1.000000E+00 volume 5.03715E+01 ppm1 8.295 ppm2 3.958 CV 1
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3.400 1.600 1.600 peak 260 weight 1.000000E+00 volume 7.37214E+01 ppm1 8.213 ppm2 4.162 CV 1
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3.400 1.600 1.600 peak 261 weight 1.000000E+00 volume 3.69654E+01 ppm1 7.208 ppm2 8.605 CV 1
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3.400 1.600 1.600 peak 262 weight 1.000000E+00 volume 4.50751E+01 ppm1 8.600 ppm2 7.212 CV 1
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3.400 1.600 1.600 peak 264 weight 1.000000E+00 volume 6.82796E+01 ppm1 8.600 ppm2 5.178 CV 1
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ASSI { 252}
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3.400 1.600 1.600 peak 266 weight 1.000000E+00 volume 2.96110E+00 ppm1 8.395 ppm2 3.645 CV 1
ASSI { 253}
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3.400 1.600 1.600 peak 267 weight 1.000000E+00 volume 4.50940E+00 ppm1 8.388 ppm2 8.753 CV 1
ASSI { 254}
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3.400 1.600 1.600 peak 269 weight 1.000000E+00 volume 1.28662E+01 ppm1 8.775 ppm2 8.361 CV 1
ASSI { 255}
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3.400 1.600 1.600 peak 271 weight 1.000000E+00 volume 6.17250E+00 ppm1 8.770 ppm2 4.121 CV 1
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3.400 1.600 1.600 peak 274 weight 1.000000E+00 volume 4.24850E+00 ppm1 7.878 ppm2 2.071 CV 1
ASSI { 258}
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3.400 1.600 1.600 peak 275 weight 1.000000E+00 volume 1.41450E+00 ppm1 7.880 ppm2 1.846 CV 1
ASSI { 259}
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3.400 1.600 1.600 peak 276 weight 1.000000E+00 volume 1.84056E+01 ppm1 8.461 ppm2 7.876 CV 1
ASSI { 260}
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3.400 1.600 1.600 peak 277 weight 1.000000E+00 volume 2.57260E+01 ppm1 7.873 ppm2 8.447 CV 1
ASSI { 261}
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3.400 1.600 1.600 peak 278 weight 1.000000E+00 volume 3.90350E+00 ppm1 7.206 ppm2 3.102 CV 1
ASSI { 262}
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3.400 1.600 1.600 peak 279 weight 1.000000E+00 volume 3.59660E+00 ppm1 7.876 ppm2 7.270 CV 1
OR { 262}
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ASSI { 265}
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3.400 1.600 1.600 peak 283 weight 1.000000E+00 volume 3.30900E+00 ppm1 7.873 ppm2 6.726 CV 1
OR { 265}
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(( segid " " and resid 53 and name HN ))
ASSI { 266}
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(( segid " " and resid 13 and name HN ))
3.400 1.600 1.600 peak 285 weight 1.000000E+00 volume 5.61440E+01 ppm1 7.777 ppm2 8.679 CV 1
ASSI { 267}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
3.400 1.600 1.600 peak 286 weight 1.000000E+00 volume 3.74062E+01 ppm1 8.678 ppm2 7.778 CV 1
ASSI { 268}
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(( segid " " and resid 2 and name HG21))
3.400 1.600 1.600 peak 287 weight 1.000000E+00 volume 1.32944E+01 ppm1 8.678 ppm2 0.920 CV 1
ASSI { 269}
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(( segid " " and resid 2 and name HG21))
3.400 1.600 1.600 peak 288 weight 1.000000E+00 volume 8.47160E+00 ppm1 7.777 ppm2 0.911 CV 1
ASSI { 270}
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(( segid " " and resid 12 and name HA ))
3.400 1.600 1.600 peak 289 weight 1.000000E+00 volume 7.30270E+00 ppm1 7.779 ppm2 4.413 CV 1
ASSI { 271}
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(( segid " " and resid 27 and name HN ))
3.400 1.600 1.600 peak 290 weight 1.000000E+00 volume 3.45510E+01 ppm1 8.691 ppm2 9.788 CV 1
ASSI { 273}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 15 and name HN ))
3.400 1.600 1.600 peak 292 weight 1.000000E+00 volume 2.06533E+01 ppm1 9.785 ppm2 8.689 CV 1
ASSI { 274}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 15 and name HB ))
3.400 1.600 1.600 peak 293 weight 1.000000E+00 volume 2.49038E+01 ppm1 9.785 ppm2 3.749 CV 1
ASSI { 275}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 294 weight 1.000000E+00 volume 3.93160E+00 ppm1 9.786 ppm2 1.292 CV 1
ASSI { 276}
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(( segid " " and resid 5 and name HN ))
3.400 1.600 1.600 peak 295 weight 1.000000E+00 volume 8.47290E+00 ppm1 9.253 ppm2 7.234 CV 1
OR { 276}
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(( segid " " and resid 24 and name HH2 ))
ASSI { 277}
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(( segid " " and resid 19 and name HG21))
3.400 1.600 1.600 peak 296 weight 1.000000E+00 volume 8.74238E+01 ppm1 9.258 ppm2 1.035 CV 1
ASSI { 278}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 18 and name HA ))
3.400 1.600 1.600 peak 297 weight 1.000000E+00 volume 1.95121E+01 ppm1 9.259 ppm2 3.976 CV 1
ASSI { 279}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 19 and name HN ))
3.400 1.600 1.600 peak 298 weight 1.000000E+00 volume 4.32540E+00 ppm1 9.258 ppm2 8.029 CV 1
ASSI { 280}
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(( segid " " and resid 20 and name HN ))
3.400 1.600 1.600 peak 299 weight 1.000000E+00 volume 6.72480E+00 ppm1 6.589 ppm2 8.036 CV 1
ASSI { 281}
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(( segid " " and resid 22 and name HN ))
3.400 1.600 1.600 peak 300 weight 1.000000E+00 volume 3.45444E+01 ppm1 6.589 ppm2 7.807 CV 1
ASSI { 282}
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(( segid " " and resid 18 and name HB1 ))
3.400 1.600 1.600 peak 301 weight 1.000000E+00 volume 2.44234E+01 ppm1 8.030 ppm2 1.636 CV 1
OR { 282}
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(( segid " " and resid 18 and name HB2 ))
OR { 282}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 283}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HN ))
3.400 1.600 1.600 peak 302 weight 1.000000E+00 volume 1.55719E+01 ppm1 8.055 ppm2 6.590 CV 1
ASSI { 284}
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(( segid " " and resid 23 and name HN ))
3.400 1.600 1.600 peak 303 weight 1.000000E+00 volume 0.00000E+00 ppm1 7.806 ppm2 6.588 CV 1
ASSI { 285}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.400 1.600 1.600 peak 304 weight 1.000000E+00 volume 0.00000E+00 ppm1 7.808 ppm2 4.153 CV 1
ASSI { 286}
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(( segid " " and resid 21 and name HB1 ))
3.400 1.600 1.600 peak 305 weight 1.000000E+00 volume 0.00000E+00 ppm1 7.806 ppm2 2.184 CV 1
ASSI { 287}
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(( segid " " and resid 32 and name HN ))
3.400 1.600 1.600 peak 306 weight 1.000000E+00 volume 7.57240E+00 ppm1 8.946 ppm2 8.309 CV 1
ASSI { 288}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
3.400 1.600 1.600 peak 307 weight 1.000000E+00 volume 4.66351E+01 ppm1 8.295 ppm2 8.925 CV 1
ASSI { 289}
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(( segid " " and resid 42 and name HN ))
3.400 1.600 1.600 peak 309 weight 1.000000E+00 volume 3.19484E+01 ppm1 8.836 ppm2 9.416 CV 1
ASSI { 290}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 33 and name HN ))
3.400 1.600 1.600 peak 310 weight 1.000000E+00 volume 2.11272E+01 ppm1 9.423 ppm2 8.845 CV 1
ASSI { 291}
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(( segid " " and resid 38 and name HN ))
3.400 1.600 1.600 peak 311 weight 1.000000E+00 volume 4.09896E+01 ppm1 7.536 ppm2 8.137 CV 1
ASSI { 292}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HN ))
3.400 1.600 1.600 peak 312 weight 1.000000E+00 volume 5.17318E+01 ppm1 8.140 ppm2 8.401 CV 1
ASSI { 293}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HN ))
3.400 1.600 1.600 peak 313 weight 1.000000E+00 volume 3.70138E+01 ppm1 8.141 ppm2 7.536 CV 1
ASSI { 294}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
3.400 1.600 1.600 peak 314 weight 1.000000E+00 volume 3.68155E+01 ppm1 8.412 ppm2 8.136 CV 1
ASSI { 295}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
3.400 1.600 1.600 peak 315 weight 1.000000E+00 volume 6.31703E+01 ppm1 8.213 ppm2 8.711 CV 1
ASSI { 296}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
3.400 1.600 1.600 peak 316 weight 1.000000E+00 volume 2.54144E+01 ppm1 8.700 ppm2 8.211 CV 1
ASSI { 298}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 318 weight 1.000000E+00 volume 2.31913E+01 ppm1 8.698 ppm2 1.108 CV 1
ASSI { 299}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 319 weight 1.000000E+00 volume 1.56329E+01 ppm1 8.212 ppm2 1.102 CV 1
ASSI { 300}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
3.400 1.600 1.600 peak 320 weight 1.000000E+00 volume 2.26008E+01 ppm1 6.769 ppm2 8.283 CV 1
ASSI { 301}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 53 and name HN ))
3.400 1.600 1.600 peak 321 weight 1.000000E+00 volume 3.24713E+01 ppm1 8.282 ppm2 6.765 CV 1
ASSI { 302}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 54 and name HA ))
3.400 1.600 1.600 peak 322 weight 1.000000E+00 volume 7.22650E+00 ppm1 8.841 ppm2 5.690 CV 1
ASSI { 303}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 55 and name HG11))
3.400 1.600 1.600 peak 323 weight 1.000000E+00 volume 4.95060E+00 ppm1 8.842 ppm2 1.035 CV 1
ASSI { 304}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 49 and name HN ))
3.400 1.600 1.600 peak 324 weight 1.000000E+00 volume 5.22530E+00 ppm1 6.769 ppm2 8.853 CV 1
ASSI { 305}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 53 and name HN ))
3.400 1.600 1.600 peak 325 weight 1.000000E+00 volume 2.31060E+00 ppm1 8.831 ppm2 6.777 CV 1
ASSI { 306}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 48 and name HA ))
3.400 1.600 1.600 peak 326 weight 1.000000E+00 volume 6.19200E+00 ppm1 6.769 ppm2 5.112 CV 1
ASSI { 307}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 47 and name HN ))
3.400 1.600 1.600 peak 327 weight 1.000000E+00 volume 1.68355E+01 ppm1 9.663 ppm2 9.262 CV 1
ASSI { 308}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 47 and name HD2 ))
3.400 1.600 1.600 peak 328 weight 1.000000E+00 volume 3.06430E+00 ppm1 9.662 ppm2 1.642 CV 1
ASSI { 310}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 331 weight 1.000000E+00 volume 3.05639E+01 ppm1 8.717 ppm2 0.965 CV 1
ASSI { 311}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 55 and name HN ))
3.400 1.600 1.600 peak 332 weight 1.000000E+00 volume 2.55387E+01 ppm1 9.251 ppm2 9.681 CV 1
ASSI { 312}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA1 ))
3.400 1.600 1.600 peak 333 weight 1.000000E+00 volume 5.88320E+00 ppm1 8.463 ppm2 3.944 CV 1
ASSI { 313}
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(( segid " " and resid 1 and name HB2 ))
3.400 1.600 1.600 peak 334 weight 1.000000E+00 volume 3.12630E+00 ppm1 8.774 ppm2 2.630 CV 1
ASSI { 314}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 3 and name HG2 ))
3.400 1.600 1.600 peak 335 weight 1.000000E+00 volume 1.57030E+00 ppm1 8.770 ppm2 2.423 CV 1
OR { 314}
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(( segid " " and resid 14 and name HG2 ))
OR { 314}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 38 and name HG1 ))
OR { 314}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 315}
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(( segid " " and resid 14 and name HG1 ))
3.400 1.600 1.600 peak 337 weight 1.000000E+00 volume 1.00450E+00 ppm1 8.502 ppm2 2.137 CV 1
OR { 315}
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(( segid " " and resid 30 and name HB1 ))
OR { 315}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 30 and name HB2 ))
OR { 315}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 21 and name HB1 ))
ASSI { 317}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 37 and name HB1 ))
3.400 1.600 1.600 peak 339 weight 1.000000E+00 volume 1.46310E+00 ppm1 7.776 ppm2 2.857 CV 1
OR { 317}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 26 and name HB2 ))
OR { 317}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HB1 ))
OR { 317}
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(( segid " " and resid 42 and name HB2 ))
OR { 317}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 43 and name HD1 ))
ASSI { 318}
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(( segid " " and resid 18 and name HB1 ))
3.400 1.600 1.600 peak 342 weight 1.000000E+00 volume 3.80271E+01 ppm1 8.055 ppm2 1.617 CV 1
ASSI { 319}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.600 1.600 peak 343 weight 1.000000E+00 volume 5.54760E+00 ppm1 9.788 ppm2 1.892 CV 1
ASSI { 321}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 33 and name HG11))
3.400 1.600 1.600 peak 346 weight 1.000000E+00 volume 6.48500E-01 ppm1 8.073 ppm2 0.957 CV 1
ASSI { 322}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 11 and name HA ))
3.400 1.600 1.600 peak 348 weight 1.000000E+00 volume 2.48970E+00 ppm1 8.409 ppm2 4.973 CV 1
OR { 322}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 10 and name HA ))
OR { 322}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HA ))
OR { 322}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 35 and name HA ))
ASSI { 324}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.400 1.600 1.600 peak 350 weight 1.000000E+00 volume 6.59000E-01 ppm1 8.410 ppm2 3.542 CV 1
OR { 324}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 49 and name HA1 ))
OR { 324}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 34 and name HB2 ))
OR { 324}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 325}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 29 and name HB% )
3.400 1.600 1.600 peak 351 weight 1.000000E+00 volume 6.15740E+00 ppm1 8.500 ppm2 3.801 CV 1
OR { 325}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 28 and name HD1 ))
OR { 325}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 30 and name HD% )
ASSI { 326}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 53 and name HG21))
3.400 1.600 1.600 peak 352 weight 1.000000E+00 volume 6.76140E+00 ppm1 8.502 ppm2 1.266 CV 1
OR { 326}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 32 and name HB1 ))
ASSI { 327}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.400 1.600 1.600 peak 353 weight 1.000000E+00 volume 2.44400E+00 ppm1 8.216 ppm2 1.844 CV 1
OR { 327}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 33 and name HB ))
OR { 327}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HB1 ))
OR { 327}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 31 and name HB1 ))
OR { 327}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HB1 ))
ASSI { 328}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 31 and name HG2 ))
3.400 1.600 1.600 peak 354 weight 1.000000E+00 volume 5.67460E+00 ppm1 8.213 ppm2 1.456 CV 1
OR { 328}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HG1 ))
OR { 328}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 55 and name HG12))
OR { 328}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 44 and name HB1 ))
OR { 328}
(( segid " " and resid 46 and name HN ))
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ASSI { 329}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 56 and name HA ))
3.400 1.600 1.600 peak 355 weight 1.000000E+00 volume 3.10570E+00 ppm1 9.254 ppm2 4.113 CV 1
ASSI { 330}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 55 and name HB ))
3.400 1.600 1.600 peak 356 weight 1.000000E+00 volume 5.76510E+00 ppm1 9.246 ppm2 2.032 CV 1
ASSI { 331}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 55 and name HG11))
3.400 1.600 1.600 peak 357 weight 1.000000E+00 volume 7.96330E+00 ppm1 9.248 ppm2 1.041 CV 1
ASSI { 332}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 51 and name HA1 ))
3.400 1.600 1.600 peak 358 weight 1.000000E+00 volume 8.95300E-01 ppm1 6.769 ppm2 3.892 CV 1
ASSI { 333}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 48 and name HA ))
3.400 1.600 1.600 peak 359 weight 1.000000E+00 volume 4.13180E+00 ppm1 9.663 ppm2 5.150 CV 1
ASSI { 334}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.400 1.600 1.600 peak 360 weight 1.000000E+00 volume 1.07111E+01 ppm1 8.591 ppm2 3.112 CV 1
ASSI { 339}
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(( segid " " and resid 26 and name HA ))
3.400 1.600 1.600 peak 365 weight 1.000000E+00 volume 6.03280E+00 ppm1 8.686 ppm2 5.519 CV 1
ASSI { 340}
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(( segid " " and resid 15 and name HG21))
3.400 1.600 1.600 peak 366 weight 1.000000E+00 volume 1.35400E+00 ppm1 9.250 ppm2 1.250 CV 1
ASSI { 341}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HA ))
3.400 1.600 1.600 peak 367 weight 1.000000E+00 volume 2.34270E+00 ppm1 9.258 ppm2 5.536 CV 1
ASSI { 342}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.400 1.600 1.600 peak 368 weight 1.000000E+00 volume 2.47680E+00 ppm1 9.783 ppm2 2.485 CV 1
OR { 342}
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(( segid " " and resid 28 and name HB2 ))
OR { 342}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 17 and name HB1 ))
OR { 342}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 21 and name HG% )
ASSI { 345}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.600 1.600 peak 373 weight 1.000000E+00 volume 4.89290E+00 ppm1 8.285 ppm2 3.222 CV 1
OR { 345}
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(( segid " " and resid 27 and name HB2 ))
OR { 345}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 350}
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(( segid " " and resid 41 and name HB1 ))
3.400 1.600 1.600 peak 380 weight 1.000000E+00 volume 3.51420E+00 ppm1 8.072 ppm2 3.122 CV 1
ASSI { 351}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 381 weight 1.000000E+00 volume 9.05430E+00 ppm1 8.070 ppm2 3.979 CV 1
OR { 351}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 19 and name HB ))
OR { 351}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 18 and name HA ))
ASSI { 352}
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(( segid " " and resid 56 and name HB1 ))
3.400 1.600 1.600 peak 383 weight 1.000000E+00 volume 1.59510E+00 ppm1 8.139 ppm2 3.487 CV 1
OR { 352}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 50 and name HD1 ))
OR { 352}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 353}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HG2 ))
3.400 1.600 1.600 peak 384 weight 1.000000E+00 volume 1.22090E+00 ppm1 8.410 ppm2 2.461 CV 1
ASSI { 354}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.400 1.600 1.600 peak 385 weight 1.000000E+00 volume 2.34370E+00 ppm1 8.517 ppm2 2.899 CV 1
OR { 354}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HB2 ))
OR { 354}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 43 and name HD1 ))
OR { 354}
(( segid " " and resid 40 and name HN ))
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ASSI { 355}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 33 and name HG21))
3.400 1.600 1.600 peak 386 weight 1.000000E+00 volume 1.95958E+01 ppm1 9.422 ppm2 1.093 CV 1
ASSI { 356}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 42 and name HB1 ))
3.400 1.600 1.600 peak 387 weight 1.000000E+00 volume 5.93000E-01 ppm1 8.210 ppm2 2.297 CV 1
OR { 356}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 358}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 53 and name HA ))
3.400 1.600 1.600 peak 389 weight 1.000000E+00 volume 2.57920E+00 ppm1 8.838 ppm2 4.379 CV 1
OR { 358}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 37 and name HA ))
OR { 358}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 39 and name HA ))
OR { 358}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 36 and name HA ))
ASSI { 359}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 53 and name HG21))
3.400 1.600 1.600 peak 390 weight 1.000000E+00 volume 1.18710E+00 ppm1 8.837 ppm2 1.240 CV 1
ASSI { 360}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HA ))
3.400 1.600 1.600 peak 391 weight 1.000000E+00 volume 2.94700E+00 ppm1 8.284 ppm2 4.530 CV 1
ASSI { 361}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HG21))
3.400 1.600 1.600 peak 392 weight 1.000000E+00 volume 5.52880E+00 ppm1 8.647 ppm2 1.012 CV 1
OR { 361}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HG11))
OR { 361}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 19 and name HG21))
ASSI { 362}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 46 and name HB2 ))
3.400 1.600 1.600 peak 394 weight 1.000000E+00 volume 3.44680E+00 ppm1 9.671 ppm2 3.329 CV 1
OR { 362}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 368}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.400 1.600 1.600 peak 400 weight 1.000000E+00 volume 2.74660E+00 ppm1 6.590 ppm2 4.188 CV 1
ASSI { 375}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HN ))
3.400 1.600 1.600 peak 410 weight 1.000000E+00 volume 2.99356E+01 ppm1 8.832 ppm2 8.260 CV 1
OR { 375}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 9 and name HN ))
OR { 375}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 29 and name HN ))
OR { 375}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
ASSI { 376}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 42 and name HN ))
3.400 1.600 1.600 peak 411 weight 1.000000E+00 volume 7.42800E-01 ppm1 8.069 ppm2 9.412 CV 1
ASSI { 377}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
3.400 1.600 1.600 peak 412 weight 1.000000E+00 volume 3.74070E+00 ppm1 7.534 ppm2 9.171 CV 1
ASSI { 378}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
3.400 1.600 1.600 peak 413 weight 1.000000E+00 volume 4.28200E-01 ppm1 9.177 ppm2 7.564 CV 1
ASSI { 379}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 2 and name HN ))
3.400 1.600 1.600 peak 414 weight 1.000000E+00 volume 1.93010E+00 ppm1 7.537 ppm2 8.400 CV 1
OR { 379}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 39 and name HN ))
ASSI { 380}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HN ))
3.400 1.600 1.600 peak 416 weight 1.000000E+00 volume 3.30770E+00 ppm1 8.031 ppm2 9.243 CV 1
OR { 380}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 25 and name HN ))
ASSI { 382}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
3.400 1.600 1.600 peak 418 weight 1.000000E+00 volume 3.33470E+00 ppm1 8.217 ppm2 9.246 CV 1
ASSI { 383}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HD1 ))
3.400 1.600 1.600 peak 421 weight 1.000000E+00 volume 2.73680E+00 ppm1 9.250 ppm2 6.898 CV 1
ASSI { 384}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 46 and name HD1 ))
3.400 1.600 1.600 peak 423 weight 1.000000E+00 volume 1.08958E+01 ppm1 9.666 ppm2 6.930 CV 1
OR { 384}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 24 and name HZ3 ))
ASSI { 385}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 46 and name HD1 ))
3.400 1.600 1.600 peak 424 weight 1.000000E+00 volume 6.58000E+00 ppm1 8.185 ppm2 6.933 CV 1
OR { 385}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 24 and name HZ3 ))