NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
627995 | 6cku | 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} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 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} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 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} (( segid " " and resid 38 and name HN )) (( segid " " and resid 19 and name HB )) OR { 260} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 261} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 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} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB1 )) 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} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HB1 )) 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} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HB2 )) 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} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 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} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 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} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 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} (( segid " " and resid 24 and name HN 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1.000000E+00 volume 1.78600E-01 ppm1 8.375 ppm2 3.601 CV 1 ASSI { 310} (( segid " " and resid 2 and name HN )) (( segid " " and resid 10 and name HN )) 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} (( segid " " and resid 10 and name HN )) (( segid " " and resid 2 and name HN )) 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} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HD2 )) 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} (( segid " " and resid 29 and name HN )) (( segid " " and resid 31 and name HA )) OR { 313} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HD2 )) OR { 313} (( segid " " and resid 32 and name HN )) (( segid " " and resid 41 and name HB2 )) OR { 313} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 319} 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ppm2 9.403 CV 1 ASSI { 397} (( segid " " and resid 47 and name HN )) (( segid " " and resid 54 and name HA )) 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 " " 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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 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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 " 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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 )) 3.400 1.600 1.600 peak 47 weight 1.000000E+00 volume 1.58476E+01 ppm1 8.772 ppm2 1.684 CV 1 ASSI { 47} (( segid " " and resid 10 and name HN )) (( segid " " and resid 2 and name HG11)) 3.400 1.600 1.600 peak 48 weight 1.000000E+00 volume 1.05586E+01 ppm1 8.772 ppm2 0.897 CV 1 ASSI { 49} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.400 1.600 1.600 peak 50 weight 1.000000E+00 volume 1.25196E+02 ppm1 8.827 ppm2 3.673 CV 1 ASSI { 50} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.400 1.600 1.600 peak 51 weight 1.000000E+00 volume 1.65709E+01 ppm1 8.829 ppm2 2.208 CV 1 ASSI { 51} (( segid " " and resid 11 and name HN )) (( segid " " and resid 14 and name HG2 )) 3.400 1.600 1.600 peak 52 weight 1.000000E+00 volume 3.12848E+01 ppm1 8.827 ppm2 2.438 CV 1 ASSI { 54} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.400 1.600 1.600 peak 57 weight 1.000000E+00 volume 1.11633E+02 ppm1 8.503 ppm2 4.401 CV 1 ASSI { 56} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.400 1.600 1.600 peak 59 weight 1.000000E+00 volume 1.68768E+01 ppm1 8.502 ppm2 2.334 CV 1 ASSI { 57} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.400 1.600 1.600 peak 60 weight 1.000000E+00 volume 1.09771E+01 ppm1 8.501 ppm2 1.840 CV 1 ASSI { 59} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.600 1.600 peak 62 weight 1.000000E+00 volume 1.01947E+02 ppm1 8.500 ppm2 4.954 CV 1 ASSI { 61} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.400 1.600 1.600 peak 65 weight 1.000000E+00 volume 6.55275E+01 ppm1 8.500 ppm2 3.318 CV 1 ASSI { 64} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.400 1.600 1.600 peak 69 weight 1.000000E+00 volume 1.19924E+02 ppm1 8.678 ppm2 4.403 CV 1 ASSI { 67} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.400 1.600 1.600 peak 72 weight 1.000000E+00 volume 1.49534E+01 ppm1 8.681 ppm2 2.755 CV 1 ASSI { 68} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.400 1.600 1.600 peak 73 weight 1.000000E+00 volume 1.43170E+00 ppm1 8.680 ppm2 2.543 CV 1 ASSI { 69} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA2 )) 3.400 1.600 1.600 peak 74 weight 1.000000E+00 volume 8.25910E+00 ppm1 7.776 ppm2 4.205 CV 1 ASSI { 70} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA1 )) 3.400 1.600 1.600 peak 75 weight 1.000000E+00 volume 1.01553E+01 ppm1 7.777 ppm2 3.633 CV 1 ASSI { 75} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.600 1.600 peak 80 weight 1.000000E+00 volume 8.01750E+01 ppm1 8.689 ppm2 4.766 CV 1 ASSI { 78} (( segid " " and resid 15 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.400 1.600 1.600 peak 83 weight 1.000000E+00 volume 2.21369E+01 ppm1 8.692 ppm2 3.215 CV 1 ASSI { 79} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG2 )) 3.400 1.600 1.600 peak 84 weight 1.000000E+00 volume 2.53042E+01 ppm1 8.689 ppm2 2.443 CV 1 ASSI { 80} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.400 1.600 1.600 peak 85 weight 1.000000E+00 volume 1.11589E+02 ppm1 8.690 ppm2 1.873 CV 1 ASSI { 83} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.600 1.600 peak 89 weight 1.000000E+00 volume 1.45929E+02 ppm1 8.932 ppm2 4.534 CV 1 ASSI { 86} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HG21)) 3.400 1.600 1.600 peak 92 weight 1.000000E+00 volume 8.47475E+01 ppm1 8.932 ppm2 1.268 CV 1 ASSI { 87} (( segid " " and resid 16 and name HN )) (( segid " " and resid 55 and name HD11)) 3.400 1.600 1.600 peak 93 weight 1.000000E+00 volume 3.52580E+00 ppm1 8.932 ppm2 0.886 CV 1 OR { 87} (( segid " " and resid 16 and name HN )) (( segid " " and resid 2 and name HG11)) OR { 87} (( segid " " and resid 16 and name HN )) (( segid " " and resid 2 and name HG21)) ASSI { 88} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 3.400 1.600 1.600 peak 94 weight 1.000000E+00 volume 3.01970E+00 ppm1 8.933 ppm2 3.752 CV 1 ASSI { 90} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.400 1.600 1.600 peak 96 weight 1.000000E+00 volume 1.49479E+01 ppm1 9.251 ppm2 2.742 CV 1 ASSI { 91} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.400 1.600 1.600 peak 97 weight 1.000000E+00 volume 6.58450E+01 ppm1 9.253 ppm2 3.163 CV 1 ASSI { 93} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.400 1.600 1.600 peak 99 weight 1.000000E+00 volume 1.45067E+02 ppm1 9.253 ppm2 5.186 CV 1 ASSI { 94} (( segid " " and resid 17 and name HN )) (( segid " " and resid 26 and name HA )) 3.400 1.600 1.600 peak 100 weight 1.000000E+00 volume 6.52510E+00 ppm1 9.253 ppm2 5.566 CV 1 ASSI { 96} (( segid " " and resid 19 and name HN )) (( segid " " and resid 24 and name HA )) 3.400 1.600 1.600 peak 102 weight 1.000000E+00 volume 6.45842E+01 ppm1 8.031 ppm2 4.872 CV 1 ASSI { 101} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB )) 3.400 1.600 1.600 peak 109 weight 1.000000E+00 volume 2.36357E+01 ppm1 8.054 ppm2 3.994 CV 1 ASSI { 102} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG21)) 3.400 1.600 1.600 peak 110 weight 1.000000E+00 volume 3.94190E+00 ppm1 8.055 ppm2 1.058 CV 1 ASSI { 105} (( segid " " and resid 25 and name HN )) (( segid " " and resid 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1.000000E+00 volume 3.72929E+01 ppm1 9.258 ppm2 3.169 CV 1 ASSI { 120} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA2 )) 3.400 1.600 1.600 peak 128 weight 1.000000E+00 volume 1.89279E+02 ppm1 8.491 ppm2 4.621 CV 1 ASSI { 121} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA1 )) 3.400 1.600 1.600 peak 129 weight 1.000000E+00 volume 6.88643E+01 ppm1 8.491 ppm2 3.715 CV 1 ASSI { 123} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 3.400 1.600 1.600 peak 131 weight 1.000000E+00 volume 1.21246E+02 ppm1 9.787 ppm2 5.517 CV 1 ASSI { 126} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.400 1.600 1.600 peak 134 weight 1.000000E+00 volume 1.11687E+01 ppm1 9.781 ppm2 2.836 CV 1 ASSI { 130} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.400 1.600 1.600 peak 138 weight 1.000000E+00 volume 1.27543E+02 ppm1 9.664 ppm2 5.675 CV 1 ASSI { 132} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.400 1.600 1.600 peak 140 weight 1.000000E+00 volume 5.00893E+01 ppm1 9.664 ppm2 2.779 CV 1 ASSI { 133} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.400 1.600 1.600 peak 141 weight 1.000000E+00 volume 1.21468E+02 ppm1 8.185 ppm2 4.764 CV 1 ASSI { 137} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB )) 3.400 1.600 1.600 peak 145 weight 1.000000E+00 volume 5.17420E+01 ppm1 8.186 ppm2 2.028 CV 1 ASSI { 138} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG12)) 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} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG21)) 3.400 1.600 1.600 peak 148 weight 1.000000E+00 volume 1.02697E+01 ppm1 8.648 ppm2 1.244 CV 1 ASSI { 142} (( segid " " and resid 54 and name HN )) (( segid 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weight 1.000000E+00 volume 1.60388E+01 ppm1 8.284 ppm2 3.883 CV 1 ASSI { 158} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.400 1.600 1.600 peak 168 weight 1.000000E+00 volume 1.12739E+02 ppm1 9.250 ppm2 2.827 CV 1 ASSI { 159} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 3.400 1.600 1.600 peak 169 weight 1.000000E+00 volume 1.71565E+02 ppm1 9.250 ppm2 4.755 CV 1 ASSI { 160} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.400 1.600 1.600 peak 170 weight 1.000000E+00 volume 2.51301E+02 ppm1 8.700 ppm2 4.153 CV 1 ASSI { 161} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.400 1.600 1.600 peak 171 weight 1.000000E+00 volume 6.05543E+01 ppm1 8.700 ppm2 1.461 CV 1 ASSI { 163} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA2 )) 3.400 1.600 1.600 peak 173 weight 1.000000E+00 volume 1.77583E+01 ppm1 8.214 ppm2 4.285 CV 1 ASSI { 164} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA1 )) 3.400 1.600 1.600 peak 174 weight 1.000000E+00 volume 3.10030E+00 ppm1 8.211 ppm2 3.577 CV 1 ASSI { 169} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.400 1.600 1.600 peak 179 weight 1.000000E+00 volume 2.73864E+01 ppm1 9.250 ppm2 3.307 CV 1 ASSI { 171} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.400 1.600 1.600 peak 181 weight 1.000000E+00 volume 1.80305E+02 ppm1 8.717 ppm2 4.679 CV 1 ASSI { 174} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.400 1.600 1.600 peak 184 weight 1.000000E+00 volume 8.68220E+01 ppm1 8.718 ppm2 1.801 CV 1 ASSI { 175} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD1 )) 3.400 1.600 1.600 peak 185 weight 1.000000E+00 volume 4.80460E+01 ppm1 8.717 ppm2 1.611 CV 1 ASSI { 176} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.400 1.600 1.600 peak 186 weight 1.000000E+00 volume 6.70250E+00 ppm1 8.717 ppm2 1.418 CV 1 ASSI { 177} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 3.400 1.600 1.600 peak 187 weight 1.000000E+00 volume 1.80219E+02 ppm1 8.839 ppm2 5.142 CV 1 ASSI { 180} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) 3.400 1.600 1.600 peak 190 weight 1.000000E+00 volume 1.36803E+01 ppm1 8.839 ppm2 3.037 CV 1 ASSI { 182} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 3.400 1.600 1.600 peak 192 weight 1.000000E+00 volume 1.37109E+02 ppm1 8.072 ppm2 4.668 CV 1 ASSI { 183} (( segid " " and resid 35 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.600 1.600 peak 193 weight 1.000000E+00 volume 3.86817E+01 ppm1 8.071 ppm2 5.602 CV 1 ASSI { 186} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 3.400 1.600 1.600 peak 196 weight 1.000000E+00 volume 2.72778E+01 ppm1 9.169 ppm2 5.019 CV 1 ASSI { 188} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.400 1.600 1.600 peak 198 weight 1.000000E+00 volume 4.34710E+00 ppm1 9.171 ppm2 3.536 CV 1 ASSI { 189} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.400 1.600 1.600 peak 199 weight 1.000000E+00 volume 7.73600E-01 ppm1 9.172 ppm2 2.973 CV 1 ASSI { 197} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.400 1.600 1.600 peak 208 weight 1.000000E+00 volume 3.25383E+01 ppm1 8.139 ppm2 4.353 CV 1 ASSI { 199} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.400 1.600 1.600 peak 210 weight 1.000000E+00 volume 4.11960E+00 ppm1 8.138 ppm2 3.027 CV 1 ASSI { 200} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.400 1.600 1.600 peak 211 weight 1.000000E+00 volume 2.93180E+00 ppm1 8.138 ppm2 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(( segid " " and resid 40 and name HB2 )) 3.400 1.600 1.600 peak 232 weight 1.000000E+00 volume 4.52532E+01 ppm1 8.813 ppm2 3.577 CV 1 ASSI { 221} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.600 1.600 peak 234 weight 1.000000E+00 volume 1.18038E+02 ppm1 9.422 ppm2 5.595 CV 1 ASSI { 222} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.400 1.600 1.600 peak 235 weight 1.000000E+00 volume 3.36018E+01 ppm1 9.424 ppm2 3.975 CV 1 ASSI { 223} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.400 1.600 1.600 peak 236 weight 1.000000E+00 volume 8.01534E+01 ppm1 9.423 ppm2 3.075 CV 1 ASSI { 226} (( segid " " and resid 42 and name HN )) (( segid " " and resid 33 and name HB )) 3.400 1.600 1.600 peak 239 weight 1.000000E+00 volume 4.01280E+01 ppm1 9.422 ppm2 1.806 CV 1 ASSI { 227} (( segid " " and resid 42 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.400 1.600 1.600 peak 240 weight 1.000000E+00 volume 1.16246E+01 ppm1 9.421 ppm2 1.303 CV 1 ASSI { 228} (( segid " " and resid 42 and name HN )) (( segid " " and resid 33 and name HG11)) 3.400 1.600 1.600 peak 241 weight 1.000000E+00 volume 4.51736E+01 ppm1 9.421 ppm2 0.965 CV 1 ASSI { 232} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 3.400 1.600 1.600 peak 245 weight 1.000000E+00 volume 1.77533E+02 ppm1 8.808 ppm2 4.084 CV 1 ASSI { 233} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG11)) 3.400 1.600 1.600 peak 246 weight 1.000000E+00 volume 6.31589E+01 ppm1 8.808 ppm2 0.962 CV 1 ASSI { 235} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 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} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 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} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.400 1.600 1.600 peak 252 weight 1.000000E+00 volume 1.90314E+01 ppm1 8.287 ppm2 1.939 CV 1 ASSI { 242} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.400 1.600 1.600 peak 255 weight 1.000000E+00 volume 5.03715E+01 ppm1 8.295 ppm2 3.958 CV 1 ASSI { 247} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 3.400 1.600 1.600 peak 260 weight 1.000000E+00 volume 7.37214E+01 ppm1 8.213 ppm2 4.162 CV 1 ASSI { 248} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 3.400 1.600 1.600 peak 261 weight 1.000000E+00 volume 3.69654E+01 ppm1 7.208 ppm2 8.605 CV 1 ASSI { 249} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 3.400 1.600 1.600 peak 262 weight 1.000000E+00 volume 4.50751E+01 ppm1 8.600 ppm2 7.212 CV 1 ASSI { 250} (( segid " " and resid 4 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.600 1.600 peak 264 weight 1.000000E+00 volume 6.82796E+01 ppm1 8.600 ppm2 5.178 CV 1 ASSI { 251} (( segid " " and resid 2 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.600 1.600 peak 265 weight 1.000000E+00 volume 1.12710E+01 ppm1 8.388 ppm2 4.947 CV 1 ASSI { 252} (( segid " " and resid 2 and name HN )) (( segid " " and resid 10 and name HB2 )) 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} (( segid " " and resid 2 and name HN )) (( segid " " and resid 10 and name HN )) 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} (( segid " " and resid 10 and name HN )) (( segid " " and resid 2 and name HN )) 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} (( segid " " and resid 10 and name HN )) (( segid " " and resid 3 and name HA )) 3.400 1.600 1.600 peak 271 weight 1.000000E+00 volume 6.17250E+00 ppm1 8.770 ppm2 4.121 CV 1 ASSI { 257} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HB2 )) 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} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HB1 )) 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} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 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} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HN )) 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} (( segid " " and resid 5 and name HN )) (( segid " " and resid 8 and name HB2 )) 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} (( segid " " and resid 8 and name HN )) (( segid " " and resid 24 and name HH2 )) 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} (( segid " " and resid 8 and name HN )) (( segid " " and resid 24 and name HE3 )) ASSI { 265} (( segid " " and resid 8 and name HN )) (( segid " " and resid 24 and name HD1 )) 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} (( segid " " and resid 8 and name HN )) (( segid " " and resid 53 and name HN )) ASSI { 266} (( segid " " and resid 14 and name HN )) (( 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} (( segid " " and resid 13 and name HN )) (( 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} (( segid " " and resid 14 and name HN )) (( 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} (( segid " " and resid 14 and name HN )) (( 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} (( segid " " and resid 15 and name HN )) (( 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} (( segid " " and resid 17 and name HN )) (( 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} (( segid " " and resid 17 and name HN )) (( segid " " and resid 24 and name HH2 )) ASSI { 277} (( segid " " and resid 25 and name HN )) (( 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} (( segid " " and resid 23 and name HN )) (( 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} (( segid " " and resid 23 and name HN )) (( 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} (( segid " " and resid 19 and name HN )) (( 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} (( segid " " and resid 19 and name HN )) (( 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} (( segid " " and resid 22 and name HN )) (( 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} (( segid " " and resid 22 and name HN )) (( 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} (( segid " " and resid 31 and name HN )) (( 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} (( segid " " and resid 33 and name HN )) (( 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} (( segid " " and resid 37 and name HN )) (( 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} (( segid " " and resid 10 and name HN )) (( 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} (( segid " " and resid 10 and name HN )) (( 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} (( segid " " and resid 12 and name HN )) (( 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} (( segid " " and resid 12 and name HN )) (( 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} (( segid " " and resid 14 and name HN )) (( 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} (( segid " " and resid 20 and name HN )) (( 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 )) (( segid " " and resid 47 and name HG2 )) 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} (( segid " " and resid 15 and name HN )) (( 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} (( segid " " and resid 17 and name HN )) (( 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} (( segid " " and resid 27 and name HN )) (( 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} (( segid " " and resid 29 and name HN )) (( 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} (( segid " " and resid 35 and name HN )) (( 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} (( segid " " and resid 38 and name HN )) (( 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 )) (( segid " " and resid 34 and name HB1 )) 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 ))
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