NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
280955 |
2kqp   |
16608 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: NOE_15.PCK ! Date: Tue Oct 14 17:32:57 EDT 2008 ! Path: /home/yang/data/DKP_insulin/DKP_proinsulin_CN_new/C13_NOESY ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A proinsulin_DKP.PCK4 874 310 230 149 185 ! B NOE_15.PCK 73 20 39 12 2 ! Total 947 330 269 161 187 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! F1 assign (resid 1 and name HA ) (resid 1 and name HD1 ) 3.0 1.2 0.3 ! A.1241 at 5.18e+06 assign (resid 1 and name HB2 ) (resid 1 and name HD1 ) 3.0 1.2 0.3 ! A.1238 at 8.01e+06 assign (resid 1 and name HB1 ) (resid 1 and name HD2 ) 2.5 0.7 0.2 ! A.1237 at 1.05e+07 assign (resid 1 and name HD2 ) (resid 2 and name HA ) 4.0 2.2 1.0 ! A.94 at 1.69e+06 assign (resid 1 and name HA ) (resid 2 and name HG1# ) 3.0 1.2 1.7 ! A.1246 at 3.87e+06 assign (resid 1 and name HE2 ) (resid 2 and name HG1# ) 3.0 1.2 0.8 ! A.139 at 5.22e+06 assign (resid 1 and name HD2 ) (resid 2 and name HG1# ) 4.0 2.2 1.5 ! A.138 at 2.64e+06 assign (resid 1 and name HE2 ) (resid 6 and name HD1# ) 4.0 2.2 1.5 ! A.321 at 2.76e+06 assign (resid 1 and name HE2 ) (resid 14 and name HA ) 4.0 2.2 1.0 ! A.33 at 1.91e+06 assign (resid 1 and name HE2 ) (resid 14 and name HB# ) 3.0 1.2 0.8 ! A.464 at 5.37e+06 assign (resid 1 and name HE1 ) (resid 17 and name HD1# ) 3.0 1.2 1.0 ! A.552 at 6.10e+06 assign (resid 1 and name HE1 ) (resid 18 and name HG2# ) 3.0 1.2 1.3 ! A.140 at 5.22e+06 !assign (resid 1 and name HD2 ) (resid 75 and name HG2# ) 4.0 2.2 2.0 ! A.796 at 2.25e+06 assign (resid 1 and name HE1 ) (resid 78 and name HA ) 4.0 2.2 1.0 ! A.658 at 1.78e+06 assign (resid 1 and name HD1 ) (resid 78 and name HD1# ) 4.0 2.2 1.5 ! A.823 at 2.66e+06 assign (resid 1 and name HB1 ) (resid 78 and name HD1# ) 3.0 1.2 1.3 ! A.1240 at 4.36e+06 assign (resid 1 and name HB2 ) (resid 78 and name HD1# ) 3.0 1.2 0.8 ! A.1239 at 3.73e+06 assign (resid 1 and name HE1 ) (resid 78 and name HD1# ) 4.0 2.2 1.5 ! A.981 at 2.87e+06 !assign (resid 1 and name HE2 ) (resid 78 and name HD1# ) 4.0 2.2 1.5 ! A.981 at 2.87e+06 assign (resid 1 and name HE2 ) (resid 81 and name HD2# ) 3.0 1.2 0.8 ! A.856 at 4.13e+06 ! V2 assign (resid 2 and name HA ) (resid 2 and name HG1# ) 3.0 1.2 0.7 ! A.92 at 1.77e+07 assign (resid 2 and name HA ) (resid 2 and name HG2# ) 2.5 0.7 0.7 ! A.90 at 1.84e+07 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.95 at 5.35e+06 assign (resid 2 and name HG2# ) (resid 3 and name HB2 ) 4.0 2.2 1.8 ! A.159 at 2.29e+06 assign (resid 2 and name HG2# ) (resid 3 and name HB1 ) 4.0 2.2 1.8 ! A.158 at 1.82e+06 assign (resid 2 and name HG2# ) (resid 3 and name HD21 ) 4.0 2.2 1.5 ! B.261 at 2.54e+06 assign (resid 2 and name HG2# ) (resid 3 and name HD22 ) 3.0 1.2 1.5 ! B.268 at 4.10e+06 assign (resid 2 and name HG2# ) (resid 4 and name HG2 ) 3.0 1.2 1.0 ! A.286 at 4.55e+06 assign (resid 2 and name HG2# ) (resid 4 and name HG1 ) 3.0 1.2 1.2 ! A.148 at 1.12e+07 assign (resid 2 and name HG2# ) (resid 4 and name HB1 ) 4.0 2.2 1.0 ! A.278 at 4.75e+06 assign (resid 2 and name HG2# ) (resid 4 and name HB2 ) 3.0 1.2 0.7 ! A.149 at 4.00e+07 assign (resid 2 and name HG2# ) (resid 4 and name HE21 ) 4.0 2.2 1.5 ! B.266 at 3.21e+06 assign (resid 2 and name HG2# ) (resid 4 and name HE22 ) 4.0 2.2 1.8 ! B.267 at 3.64e+06 assign (resid 2 and name HG1# ) (resid 14 and name HA ) 4.0 2.2 1.0 ! A.135 at 1.51e+07 ! N3 assign (resid 3 and name HB2 ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.170 at 2.09e+06 assign (resid 3 and name HB1 ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.169 at 1.59e+06 assign (resid 3 and name HB2 ) (resid 3 and name HD21 ) 4.0 2.2 1.0 ! A.1372 at 3.42e+06 assign (resid 3 and name HB1 ) (resid 3 and name HD21 ) 3.0 1.2 0.3 ! B.263 at 6.41e+06 assign (resid 3 and name HB2 ) (resid 3 and name HD22 ) 4.0 2.2 1.0 ! A.1370 at 1.98e+06 assign (resid 3 and name HB1 ) (resid 3 and name HD22 ) 3.0 1.2 1.0 ! B.262 at 5.01e+06 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.155 at 3.53e+06 assign (resid 3 and name HB2 ) (resid 75 and name HG2# ) 3.0 1.2 0.8 ! A.166 at 3.72e+06 assign (resid 3 and name HB1 ) (resid 75 and name HG2# ) 3.0 1.2 1.0 ! A.165 at 4.10e+06 assign (resid 3 and name HA ) (resid 75 and name HG2# ) 3.0 1.2 0.8 ! A.794 at 7.87e+06 !assign (resid 3 and name HB1 ) (resid 75 and name HD1# ) 4.0 2.2 2.0 ! A.949 at 1.55e+06 !assign (resid 3 and name HB2 ) (resid 75 and name HD1# ) 4.0 2.2 1.5 ! A.947 at 2.12e+06 !assign (resid 3 and name HD21 ) (resid 75 and name HD1# ) 4.0 2.2 2.0 ! A.936 at 2.11e+06 ! Q4 assign (resid 4 and name HA ) (resid 4 and name HG1 ) 3.0 1.2 0.8 ! A.264 at 9.48e+06 assign (resid 4 and name HA ) (resid 4 and name HG2 ) 3.0 1.2 0.7 ! A.266 at 7.28e+06 assign (resid 4 and name HA ) (resid 4 and name HE21 ) 3.0 1.2 1.2 ! A.1403 at 1.98e+06 assign (resid 4 and name HA ) (resid 4 and name HE22 ) 4.0 2.2 1.5 ! B.1402 at 6.06e+06 assign (resid 4 and name HG1 ) (resid 4 and name HE21 ) 4.0 2.2 1.0 ! A.1380 at 1.98e+06 assign (resid 4 and name HG2 ) (resid 4 and name HE21 ) 3.0 1.2 0.5 ! B.264 at 6.06e+06 assign (resid 4 and name HG2 ) (resid 4 and name HE22 ) 3.0 1.2 1.0 ! B.265 at 4.41e+06 assign (resid 4 and name HG1 ) (resid 4 and name HE22 ) 4.0 2.2 1.0 ! A.1382 at 2.34e+06 assign (resid 4 and name HG1 ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.283 at 2.19e+06 assign (resid 4 and name HG2 ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.281 at 1.75e+06 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.270 at 2.97e+06 assign (resid 4 and name HB2 ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.269 at 3.56e+06 assign (resid 4 and name HA ) (resid 5 and name HB1 ) 4.0 2.2 1.8 ! A.265 at 2.37e+06 assign (resid 4 and name HA ) (resid 5 and name HD2 ) 4.0 2.2 1.0 ! A.1401 at 4.37e+06 assign (resid 4 and name HA ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.261 at 3.30e+06 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.268 at 2.74e+06 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.8 ! A.267 at 4.19e+06 assign (resid 4 and name HB1 ) (resid 6 and name HA ) 3.0 1.2 1.6 ! A.1 at 6.60e+06 assign (resid 4 and name HB2 ) (resid 6 and name HA ) 3.0 1.2 1.5 ! A.2 at 4.96e+06 assign (resid 4 and name HB2 ) (resid 6 and name HD1# ) 3.0 1.2 1.3 ! A.277 at 6.83e+06 assign (resid 4 and name HB2 ) (resid 6 and name HD2# ) 3.0 1.2 0.8 ! A.336 at 6.52e+06 assign (resid 4 and name HB1 ) (resid 6 and name HD2# ) 4.0 2.2 0.8 ! A.335 at 2.43e+06 assign (resid 4 and name HB1 ) (resid 6 and name HG ) 4.0 2.2 1.0 ! A.312 at 2.19e+06 assign (resid 4 and name HA ) (resid 75 and name HG12 ) 3.0 1.2 0.8 ! A.21 at 4.53e+06 assign (resid 4 and name HA ) (resid 75 and name HD1# ) 3.0 1.2 0.8 ! A.22 at 4.34e+06 !assign (resid 4 and name HB2 ) (resid 75 and name HG12 ) 4.0 2.2 1.5 ! A.275 at 1.91e+06 !assign (resid 4 and name HB1 ) (resid 75 and name HG12 ) 4.0 2.2 1.8 ! A.274 at 2.44e+06 !assign (resid 4 and name HB1 ) (resid 75 and name HD1# ) 4.0 2.2 1.3 ! A.786 at 3.63e+06 !assign (resid 4 and name HB2 ) (resid 75 and name HD1# ) 4.0 2.2 1.5 ! A.785 at 3.91e+06 ! H5 assign (resid 5 and name HA ) (resid 5 and name HD2 ) 3.0 1.2 1.3 ! A.1123 at 3.89e+06 assign (resid 5 and name HN ) (resid 5 and name HD2 ) 3.0 1.2 1.0 ! B.233 at 3.89e+06 assign (resid 5 and name HB2 ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.297 at 1.70e+06 assign (resid 5 and name HB1 ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.298 at 2.20e+06 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.0 1.2 0.5 ! A.288 at 5.94e+06 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.300 at 1.77e+06 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.299 at 2.35e+06 assign (resid 5 and name HA ) (resid 71 and name HB1 ) 4.0 2.2 0.8 ! A.1124 at 5.39e+06 assign (resid 5 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.3 ! A.1122 at 5.53e+06 assign (resid 5 and name HA ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.292 at 3.14e+06 assign (resid 5 and name HB1 ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.296 at 2.94e+06 assign (resid 5 and name HB2 ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.295 at 3.42e+06 assign (resid 5 and name HA ) (resid 75 and name HG12 ) 3.0 1.2 0.5 ! A.946 at 5.01e+06 assign (resid 5 and name HA ) (resid 75 and name HD1# ) 4.0 2.2 1.0 ! A.945 at 4.09e+06 !assign (resid 5 and name HB1 ) (resid 75 and name HD1# ) 4.0 2.2 1.8 ! A.948 at 2.06e+06 assign (resid 5 and name HD2 ) (resid 75 and name HD1# ) 4.0 2.2 1.0 ! A.1401 at 2.06e+06 assign (resid 5 and name HE1 ) (resid 75 and name HD1# ) 4.0 2.2 0.4 ! A.1398 at 3.91e+06 ! L6 assign (resid 6 and name HA ) (resid 6 and name HD2# ) 2.5 0.7 0.7 ! A.5 at 1.05e+07 assign (resid 6 and name HA ) (resid 6 and name HD1# ) 3.0 1.2 1.5 ! A.302 at 6.24e+06 assign (resid 6 and name HA ) (resid 6 and name HG ) 4.0 2.2 1.0 ! A.3 at 2.60e+06 assign (resid 6 and name HB1 ) (resid 6 and name HD1# ) 3.0 1.2 0.8 ! A.819 at 7.39e+06 assign (resid 6 and name HB2 ) (resid 6 and name HD1# ) 3.0 1.2 0.8 ! A.818 at 9.08e+06 assign (resid 6 and name HB1 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.306 at 2.01e+06 assign (resid 6 and name HB1 ) (resid 6 and name HD2# ) 2.5 0.7 0.7 ! A.308 at 1.01e+07 assign (resid 6 and name HD1# ) (resid 6 and name HN ) 4.0 2.2 1.5 ! A.325 at 3.14e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 3.0 1.2 0.5 ! A.12 at 4.59e+06 assign (resid 6 and name HA ) (resid 7 and name HB# ) 4.0 2.2 1.0 ! A.8 at 1.51e+07 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.0 2.2 1.0 ! A.305 at 2.05e+06 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 1.0 ! A.303 at 1.61e+06 assign (resid 6 and name HD2# ) (resid 7 and name HN ) 4.0 2.2 1.5 ! A.328 at 2.93e+06 assign (resid 6 and name HA ) (resid 8 and name HN ) 4.0 2.2 2.5 ! A.301 at 1.65e+06 assign (resid 6 and name HA ) (resid 10 and name HB2 ) 3.0 1.2 0.3 ! A.153 at 6.93e+06 assign (resid 6 and name HA ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.10 at 6.54e+06 assign (resid 6 and name HD2# ) (resid 10 and name HB2 ) 3.0 1.2 1.0 ! A.247 at 5.07e+06 assign (resid 6 and name HA ) (resid 10 and name HB1 ) 3.0 1.2 0.5 ! A.245 at 4.14e+06 assign (resid 6 and name HD2# ) (resid 10 and name HB1 ) 3.0 1.2 0.8 ! A.246 at 7.53e+06 assign (resid 6 and name HD2# ) (resid 10 and name HA ) 4.0 2.2 1.5 ! A.337 at 3.08e+06 assign (resid 6 and name HD2# ) (resid 11 and name HA ) 3.0 1.2 1.4 ! A.372 at 1.62e+07 assign (resid 6 and name HB2 ) (resid 11 and name HA ) 2.5 0.7 0.5 ! A.370 at 1.73e+07 assign (resid 6 and name HD1# ) (resid 11 and name HA ) 3.0 1.2 0.8 ! A.371 at 9.68e+06 assign (resid 6 and name HB1 ) (resid 11 and name HA ) 4.0 2.2 1.0 ! A.365 at 3.36e+06 assign (resid 6 and name HA ) (resid 11 and name HB2 ) 4.0 2.2 1.0 ! A.4 at 1.90e+06 assign (resid 6 and name HB2 ) (resid 11 and name HB2 ) 3.0 1.2 0.3 ! A.254 at 9.27e+06 assign (resid 6 and name HD1# ) (resid 11 and name HB2 ) 4.0 2.2 1.5 ! A.260 at 2.45e+06 assign (resid 6 and name HB2 ) (resid 11 and name HB1 ) 3.0 1.2 1.5 ! A.256 at 7.98e+06 assign (resid 6 and name HD1# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.320 at 2.51e+06 assign (resid 6 and name HB1 ) (resid 11 and name HD2# ) 4.0 2.2 1.3 ! A.393 at 1.71e+07 assign (resid 6 and name HD2# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.330 at 2.75e+06 assign (resid 6 and name HB1 ) (resid 11 and name HD1# ) 3.0 1.2 0.7 ! A.384 at 1.17e+07 assign (resid 6 and name HB2 ) (resid 14 and name HB# ) 4.0 2.2 1.5 ! A.311 at 1.65e+06 assign (resid 6 and name HB1 ) (resid 14 and name HB# ) 4.0 2.2 1.5 ! A.309 at 1.80e+06 assign (resid 6 and name HD1# ) (resid 14 and name HA ) 4.0 2.2 1.2 ! A.315 at 4.32e+06 assign (resid 6 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 1.5 ! A.323 at 2.02e+06 assign (resid 6 and name HD1# ) (resid 14 and name HB# ) 2.5 0.7 1.2 ! A.316 at 1.13e+07 assign (resid 6 and name HD2# ) (resid 14 and name HB# ) 3.0 1.2 1.2 ! A.334 at 2.87e+07 assign (resid 6 and name HD1# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! B.89 at 4.07e+06 assign (resid 6 and name HA ) (resid 71 and name HB1 ) 4.0 2.2 1.5 ! A.6 at 1.09e+07 assign (resid 6 and name HD1# ) (resid 71 and name HB1 ) 4.0 2.2 1.5 ! A.543 at 2.38e+06 assign (resid 6 and name HD1# ) (resid 71 and name HB2 ) 4.0 2.2 1.5 ! A.542 at 2.99e+06 assign (resid 6 and name HA ) (resid 72 and name HA ) 3.0 1.2 1.0 ! A.9 at 6.26e+06 assign (resid 6 and name HA ) (resid 72 and name HB2 ) 4.0 2.2 1.5 ! A.7 at 1.55e+07 assign (resid 6 and name HB1 ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.304 at 1.90e+06 assign (resid 6 and name HB2 ) (resid 72 and name HB2 ) 4.0 2.2 1.8 ! A.880 at 2.31e+06 assign (resid 6 and name HD1# ) (resid 72 and name HA ) 4.0 2.2 2.8 ! A.314 at 2.74e+06 ! C7 assign (resid 7 and name HB# ) (resid 8 and name HA2 ) 4.0 2.2 1.5 ! A.1407 at 2.41e+06 assign (resid 7 and name HN ) (resid 8 and name HA1 ) 4.0 2.2 1.8 ! A.338 at 2.80e+06 assign (resid 7 and name HN ) (resid 8 and name HA2 ) 4.0 2.2 1.8 ! A.339 at 2.11e+06 assign (resid 7 and name HN ) (resid 10 and name HB1 ) 4.0 2.2 1.0 ! A.234 at 2.15e+06 assign (resid 7 and name HN ) (resid 10 and name HB2 ) 4.0 2.2 1.0 ! A.235 at 1.71e+06 assign (resid 7 and name HA ) (resid 68 and name HG1# ) 3.0 1.2 1.0 ! A.150 at 1.35e+07 ! G8 assign (resid 8 and name HA1 ) (resid 72 and name HB2 ) 4.0 2.2 2.5 ! A.1405 at 2.90e+06 assign (resid 8 and name HA2 ) (resid 72 and name HB2 ) 4.0 2.2 2.0 ! A.1404 at 3.31e+06 ! S9 assign (resid 9 and name HA ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.357 at 2.12e+06 assign (resid 9 and name HB# ) (resid 10 and name HN ) 3.0 1.2 1.0 ! B.145 at 4.64e+06 assign (resid 9 and name HA ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.356 at 2.55e+06 assign (resid 9 and name HA ) (resid 12 and name HB ) 2.5 0.7 0.2 ! A.358 at 1.10e+07 assign (resid 9 and name HA ) (resid 12 and name HG2# ) 3.0 1.2 1.2 ! A.359 at 1.15e+07 assign (resid 9 and name HA ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.104 at 3.75e+06 ! D10 assign (resid 10 and name HB1 ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.236 at 6.43e+06 assign (resid 10 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.237 at 5.38e+06 assign (resid 10 and name HB1 ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.240 at 2.41e+06 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.239 at 3.07e+06 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.0 1.2 0.5 ! B.153 at 3.96e+06 assign (resid 10 and name HN ) (resid 11 and name HB1 ) 4.0 2.2 1.5 ! B.144 at 2.73e+06 assign (resid 10 and name HN ) (resid 13 and name HB# ) 4.0 2.2 1.5 ! A.445 at 1.14e+07 assign (resid 10 and name HA ) (resid 13 and name HB# ) 3.0 1.2 1.0 ! A.1233 at 1.63e+07 ! L11 assign (resid 11 and name HA ) (resid 11 and name HG ) 3.0 1.2 0.8 ! A.368 at 6.79e+06 assign (resid 11 and name HA ) (resid 11 and name HD1# ) 2.5 0.7 0.7 ! A.369 at 1.59e+07 assign (resid 11 and name HA ) (resid 11 and name HD2# ) 3.0 1.2 1.5 ! A.401 at 6.83e+06 assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.249 at 4.53e+06 assign (resid 11 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.248 at 5.55e+06 assign (resid 11 and name HB1 ) (resid 11 and name HD1# ) 3.0 1.2 0.8 ! A.255 at 8.47e+06 assign (resid 11 and name HB1 ) (resid 11 and name HD2# ) 3.0 1.2 0.8 ! A.253 at 8.68e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD2# ) 3.0 1.2 0.8 ! A.252 at 9.27e+06 assign (resid 11 and name HD1# ) (resid 11 and name HB2 ) 2.5 0.7 0.7 ! A.386 at 1.36e+07 assign (resid 11 and name HD1# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.375 at 2.51e+06 assign (resid 11 and name HB1 ) (resid 12 and name HA ) 4.0 2.2 1.0 ! A.419 at 1.86e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.362 at 3.12e+06 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.0 1.2 0.7 ! A.250 at 4.32e+06 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.0 1.2 0.5 ! A.251 at 5.14e+06 assign (resid 11 and name HA ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.364 at 2.29e+06 assign (resid 11 and name HA ) (resid 14 and name HB# ) 2.5 0.7 0.7 ! A.1362 at 1.66e+07 assign (resid 11 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.363 at 3.19e+06 assign (resid 11 and name HD1# ) (resid 14 and name HB# ) 3.0 1.2 1.5 ! A.470 at 2.88e+07 assign (resid 11 and name HA ) (resid 15 and name HG ) 3.0 1.2 1.5 ! A.367 at 5.32e+06 assign (resid 11 and name HD2# ) (resid 15 and name HB2 ) 4.0 2.2 1.5 ! A.397 at 6.36e+06 assign (resid 11 and name HB1 ) (resid 15 and name HD1# ) 4.0 2.2 1.2 ! A.526 at 5.01e+06 assign (resid 11 and name HD1# ) (resid 15 and name HD2# ) 4.0 2.2 1.7 ! A.385 at 6.87e+06 assign (resid 11 and name HD1# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! A.377 at 3.46e+06 assign (resid 11 and name HD2# ) (resid 26 and name HE1 ) 3.0 1.2 0.8 ! A.64 at 5.18e+06 assign (resid 11 and name HD2# ) (resid 26 and name HD1 ) 4.0 2.2 1.0 ! A.404 at 4.92e+06 assign (resid 11 and name HD2# ) (resid 67 and name HA ) 4.0 2.2 1.5 ! A.398 at 4.73e+06 assign (resid 11 and name HD2# ) (resid 67 and name HG11 ) 3.0 1.2 1.8 ! A.395 at 9.24e+06 assign (resid 11 and name HD2# ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.392 at 9.39e+06 assign (resid 11 and name HD1# ) (resid 67 and name HG12 ) 3.0 1.2 0.5 ! A.383 at 1.25e+07 assign (resid 11 and name HB1 ) (resid 67 and name HD1# ) 4.0 2.2 1.8 ! A.778 at 1.64e+06 assign (resid 11 and name HD2# ) (resid 67 and name HD1# ) 2.5 0.7 1.2 ! A.770 at 2.49e+07 assign (resid 11 and name HB2 ) (resid 67 and name HD1# ) 4.0 2.2 1.8 ! A.773 at 9.07e+06 assign (resid 11 and name HB1 ) (resid 68 and name HA ) 4.0 2.2 1.0 ! A.374 at 2.25e+06 assign (resid 11 and name HB2 ) (resid 68 and name HA ) 4.0 2.2 1.0 ! A.373 at 2.23e+06 assign (resid 11 and name HB1 ) (resid 68 and name HG2# ) 4.0 2.2 1.5 ! A.258 at 2.12e+06 assign (resid 11 and name HD2# ) (resid 68 and name HG2# ) 3.0 1.2 1.0 ! A.396 at 2.93e+07 assign (resid 11 and name HD2# ) (resid 68 and name HA ) 3.0 1.2 0.8 ! A.402 at 5.27e+06 assign (resid 11 and name HD1# ) (resid 71 and name HB2 ) 3.0 1.2 0.8 ! A.156 at 3.72e+06 assign (resid 11 and name HD1# ) (resid 71 and name HB1 ) 3.0 1.2 0.8 ! A.157 at 4.10e+06 assign (resid 11 and name HD2# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.405 at 2.02e+06 assign (resid 11 and name HD2# ) (resid 71 and name HB2 ) 4.0 2.2 1.5 ! A.391 at 3.24e+06 assign (resid 11 and name HD2# ) (resid 72 and name HB1 ) 4.0 2.2 1.8 ! A.390 at 3.96e+06 assign (resid 11 and name HD2# ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.407 at 2.80e+06 assign (resid 11 and name HD2# ) (resid 72 and name HA ) 4.0 2.2 2.0 ! A.403 at 1.89e+06 assign (resid 11 and name HD1# ) (resid 72 and name HA ) 4.0 2.2 2.0 ! A.380 at 1.76e+06 !assign (resid 11 and name HD1# ) (resid 72 and name HB1 ) 4.0 2.2 2.5 ! A.382 at 3.37e+06 assign (resid 11 and name HA ) (resid 81 and name HD1# ) 4.0 2.2 2.0 ! A.973 at 6.18e+06 assign (resid 11 and name HD1# ) (resid 81 and name HG ) 3.0 1.2 1.0 ! A.388 at 8.82e+06 ! V12 assign (resid 12 and name HA ) (resid 12 and name HG2# ) 2.5 0.7 0.7 ! A.417 at 1.42e+07 assign (resid 12 and name HA ) (resid 12 and name HG1# ) 2.5 0.7 0.7 ! A.415 at 1.81e+07 assign (resid 12 and name HB ) (resid 12 and name HN ) 3.0 1.2 0.5 ! A.426 at 6.64e+06 assign (resid 12 and name HG2# ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.352 at 6.31e+06 assign (resid 12 and name HG1# ) (resid 12 and name HN ) 3.0 1.2 1.4 ! A.351 at 1.18e+07 assign (resid 12 and name HA ) (resid 13 and name HA ) 4.0 2.2 1.0 ! A.412 at 1.92e+06 assign (resid 12 and name HA ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.408 at 2.96e+06 assign (resid 12 and name HG1# ) (resid 13 and name HA ) 3.0 1.2 1.2 ! A.443 at 5.63e+06 assign (resid 12 and name HB ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.427 at 6.49e+06 assign (resid 12 and name HG1# ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.347 at 5.02e+06 assign (resid 12 and name HG2# ) (resid 13 and name HN ) 3.0 1.2 1.6 ! A.353 at 4.36e+06 assign (resid 12 and name HA ) (resid 15 and name HG ) 4.0 2.2 1.0 ! A.418 at 1.80e+06 assign (resid 12 and name HA ) (resid 15 and name HB2 ) 3.0 1.2 0.3 ! A.414 at 5.22e+06 assign (resid 12 and name HA ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.83 at 3.89e+06 assign (resid 12 and name HG1# ) (resid 16 and name HB# ) 3.0 1.2 1.3 ! A.194 at 4.90e+06 assign (resid 12 and name HA ) (resid 24 and name HE1 ) 4.0 2.2 1.0 ! A.411 at 3.07e+06 assign (resid 12 and name HG1# ) (resid 24 and name HE1 ) 3.0 1.2 1.0 ! A.346 at 1.10e+07 assign (resid 12 and name HG1# ) (resid 24 and name HZ ) 3.0 1.2 0.8 ! A.349 at 7.16e+06 assign (resid 12 and name HG2# ) (resid 24 and name HE1 ) 2.5 0.7 0.7 ! A.350 at 1.47e+07 assign (resid 12 and name HG2# ) (resid 24 and name HZ ) 3.0 1.2 1.2 ! A.433 at 6.64e+06 assign (resid 12 and name HA ) (resid 26 and name HD1 ) 3.0 1.2 0.5 ! A.409 at 3.61e+06 assign (resid 12 and name HG2# ) (resid 26 and name HD1 ) 3.0 1.2 1.5 ! A.507 at 4.43e+06 assign (resid 12 and name HN ) (resid 26 and name HE1 ) 2.5 0.7 0.4 ! A.74 at 3.48e+07 assign (resid 12 and name HB ) (resid 26 and name HE1 ) 4.0 2.2 1.0 ! A.69 at 1.81e+06 assign (resid 12 and name HG2# ) (resid 26 and name HE1 ) 3.0 1.2 0.8 ! A.65 at 4.29e+06 assign (resid 12 and name HA ) (resid 26 and name HE1 ) 2.5 0.7 0.8 ! A.75 at 1.02e+07 ! E13 assign (resid 13 and name HA ) (resid 13 and name HG1 ) 2.5 0.7 0.2 ! A.439 at 1.02e+07 assign (resid 13 and name HA ) (resid 13 and name HG2 ) 3.0 1.2 0.5 ! A.440 at 8.18e+06 assign (resid 13 and name HG1 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.448 at 3.19e+06 assign (resid 13 and name HG2 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.447 at 3.25e+06 assign (resid 13 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.435 at 2.63e+06 assign (resid 13 and name HG1 ) (resid 14 and name HA ) 3.0 1.2 1.2 ! A.1048 at 6.21e+06 assign (resid 13 and name HB# ) (resid 14 and name HN ) 3.0 1.2 1.0 ! A.444 at 6.64e+06 assign (resid 13 and name HG2 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.161 at 2.47e+06 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.154 at 6.69e+06 assign (resid 13 and name HA ) (resid 16 and name HB# ) 3.0 1.2 0.8 ! A.438 at 8.70e+06 assign (resid 13 and name HA ) (resid 16 and name HD2 ) 3.0 1.2 0.3 ! A.434 at 5.56e+06 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.0 1.2 0.8 ! A.437 at 4.69e+06 assign (resid 13 and name HB# ) (resid 16 and name HB# ) 4.0 2.2 2.0 ! A.200 at 2.03e+06 assign (resid 13 and name HG1 ) (resid 17 and name HD2# ) 3.0 1.2 0.5 ! A.452 at 8.18e+06 assign (resid 13 and name HG2 ) (resid 17 and name HD2# ) 3.0 1.2 1.5 ! A.451 at 3.89e+06 assign (resid 13 and name HG1 ) (resid 17 and name HD1# ) 3.0 1.2 0.8 ! A.1342 at 5.63e+06 assign (resid 13 and name HG2 ) (resid 17 and name HD1# ) 3.0 1.2 1.5 ! A.1129 at 1.33e+07 ! A14 assign (resid 14 and name HB# ) (resid 14 and name HN ) 2.5 0.7 0.9 ! A.465 at 1.65e+07 assign (resid 14 and name HA ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.30 at 3.07e+06 assign (resid 14 and name HB# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.467 at 1.22e+07 assign (resid 14 and name HN ) (resid 15 and name HN ) 3.0 1.2 0.5 ! B.155 at 7.58e+06 assign (resid 14 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.32 at 7.21e+06 assign (resid 14 and name HA ) (resid 17 and name HD1# ) 3.0 1.2 0.5 ! A.555 at 1.87e+07 assign (resid 14 and name HA ) (resid 17 and name HB1 ) 3.0 1.2 1.0 ! A.56 at 1.27e+07 assign (resid 14 and name HA ) (resid 17 and name HB2 ) 3.0 1.2 0.3 ! A.43 at 9.46e+06 !assign (resid 14 and name HB# ) (resid 17 and name HN ) 4.0 2.2 1.3 ! A.466 at 1.52e+07 !assign (resid 14 and name HN ) (resid 17 and name HD2# ) 4.0 2.2 1.8 ! B.160 at 2.84e+06 assign (resid 14 and name HA ) (resid 81 and name HD2# ) 4.0 2.2 1.0 ! A.860 at 5.92e+06 assign (resid 14 and name HB# ) (resid 81 and name HD2# ) 2.5 0.7 1.2 ! A.987 at 1.86e+07 ! L15 assign (resid 15 and name HA ) (resid 15 and name HG ) 3.0 1.2 0.3 ! A.478 at 5.66e+06 assign (resid 15 and name HA ) (resid 15 and name HD1# ) 3.0 1.2 1.3 ! A.480 at 1.39e+07 assign (resid 15 and name HA ) (resid 15 and name HD2# ) 3.0 1.2 0.8 ! A.479 at 7.19e+06 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.487 at 2.97e+06 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.484 at 2.44e+06 assign (resid 15 and name HB2 ) (resid 15 and name HD1# ) 4.0 2.2 1.5 ! A.485 at 1.73e+06 assign (resid 15 and name HB1 ) (resid 15 and name HD2# ) 3.0 1.2 0.8 ! A.486 at 4.67e+06 assign (resid 15 and name HG ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.508 at 4.48e+06 assign (resid 15 and name HD1# ) (resid 15 and name HB1 ) 3.0 1.2 0.8 ! A.528 at 5.70e+06 assign (resid 15 and name HD1# ) (resid 15 and name HN ) 3.0 1.2 1.5 ! A.515 at 5.64e+06 assign (resid 15 and name HB2 ) (resid 16 and name HB# ) 4.0 2.2 1.5 ! A.198 at 1.59e+06 assign (resid 15 and name HB1 ) (resid 16 and name HB# ) 4.0 2.2 1.0 ! A.197 at 4.90e+06 assign (resid 15 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.476 at 1.90e+06 assign (resid 15 and name HA ) (resid 18 and name HB ) 3.0 1.2 0.3 ! A.477 at 5.13e+06 assign (resid 15 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.472 at 3.05e+06 assign (resid 15 and name HB1 ) (resid 18 and name HB ) 4.0 2.2 1.0 ! A.126 at 1.03e+07 assign (resid 15 and name HN ) (resid 18 and name HB ) 4.0 2.2 1.0 ! A.120 at 2.17e+06 assign (resid 15 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.474 at 1.83e+06 assign (resid 15 and name HB1 ) (resid 19 and name HB1 ) 4.0 2.2 1.3 ! A.581 at 1.62e+06 assign (resid 15 and name HB1 ) (resid 19 and name HB2 ) 4.0 2.2 1.0 ! A.580 at 1.56e+06 assign (resid 15 and name HB2 ) (resid 24 and name HD1 ) 4.0 2.2 1.0 ! A.488 at 1.58e+06 assign (resid 15 and name HD2# ) (resid 24 and name HD1 ) 4.0 2.2 1.5 ! A.531 at 3.95e+06 assign (resid 15 and name HD1# ) (resid 24 and name HD1 ) 3.0 1.2 0.8 ! A.518 at 4.13e+06 assign (resid 15 and name HD1# ) (resid 24 and name HB2 ) 3.0 1.2 0.8 ! A.522 at 7.70e+06 assign (resid 15 and name HD1# ) (resid 26 and name HE1 ) 3.0 1.2 1.0 ! A.517 at 4.13e+06 assign (resid 15 and name HG ) (resid 26 and name HE1 ) 4.0 2.2 1.0 ! A.66 at 2.30e+06 assign (resid 15 and name HD1# ) (resid 26 and name HN ) 4.0 2.2 2.3 ! A.1188 at 5.64e+06 assign (resid 15 and name HA ) (resid 67 and name HD1# ) 4.0 2.2 1.0 ! A.481 at 1.39e+07 assign (resid 15 and name HG ) (resid 67 and name HD1# ) 3.0 1.2 0.8 ! A.512 at 5.77e+06 assign (resid 15 and name HD2# ) (resid 67 and name HG12 ) 4.0 2.2 2.0 ! A.536 at 8.43e+06 assign (resid 15 and name HD2# ) (resid 67 and name HD1# ) 2.5 0.7 1.2 ! A.533 at 1.12e+07 assign (resid 15 and name HD1# ) (resid 67 and name HG2# ) 3.0 1.2 1.0 ! A.527 at 1.95e+07 assign (resid 15 and name HD1# ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.524 at 6.32e+06 assign (resid 15 and name HD2# ) (resid 67 and name HG2# ) 4.0 2.2 1.8 ! A.760 at 4.09e+06 assign (resid 15 and name HB1 ) (resid 67 and name HD1# ) 4.0 2.2 1.5 ! A.772 at 3.25e+06 assign (resid 15 and name HB2 ) (resid 67 and name HD1# ) 4.0 2.2 1.0 ! A.769 at 4.38e+06 assign (resid 15 and name HA ) (resid 81 and name HD2# ) 3.0 1.2 0.8 ! A.482 at 5.79e+06 assign (resid 15 and name HA ) (resid 81 and name HB1 ) 4.0 2.2 1.0 ! A.45 at 2.20e+06 assign (resid 15 and name HN ) (resid 81 and name HD2# ) 4.0 2.2 1.5 ! A.858 at 2.71e+06 assign (resid 15 and name HG ) (resid 81 and name HD2# ) 3.0 1.2 1.3 ! A.513 at 4.70e+06 assign (resid 15 and name HD2# ) (resid 81 and name HD1# ) 4.0 2.2 1.0 ! A.534 at 6.73e+06 assign (resid 15 and name HD2# ) (resid 81 and name HB2 ) 3.0 1.2 1.8 ! A.539 at 6.64e+06 assign (resid 15 and name HN ) (resid 81 and name HD1# ) 4.0 2.2 1.8 ! A.984 at 3.27e+06 assign (resid 15 and name HD1# ) (resid 81 and name HA ) 4.0 2.2 1.2 ! A.519 at 3.52e+06 assign (resid 15 and name HD1# ) (resid 84 and name HB1 ) 3.0 1.2 1.3 ! A.176 at 4.19e+06 assign (resid 15 and name HD2# ) (resid 84 and name HB1 ) 4.0 2.2 1.5 ! A.179 at 1.53e+06 assign (resid 15 and name HD2# ) (resid 84 and name HB2 ) 4.0 2.2 1.5 ! A.173 at 1.90e+06 assign (resid 15 and name HD1# ) (resid 84 and name HB2 ) 3.0 1.2 0.8 ! A.174 at 4.16e+06 assign (resid 15 and name HD2# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.532 at 3.42e+06 assign (resid 15 and name HD2# ) (resid 84 and name HE2 ) 4.0 2.2 1.5 ! A.530 at 3.71e+06 assign (resid 15 and name HD1# ) (resid 84 and name HD2 ) 4.0 2.2 1.0 ! A.516 at 5.31e+06 ! Y16 assign (resid 16 and name HA ) (resid 16 and name HE1 ) 3.0 1.2 1.5 ! A.110 at 6.89e+06 assign (resid 16 and name HA ) (resid 16 and name HD1 ) 3.0 1.2 0.3 ! A.107 at 8.91e+06 assign (resid 16 and name HD1 ) (resid 16 and name HB# ) 3.0 1.2 0.8 ! A.502 at 6.58e+06 assign (resid 16 and name HD2 ) (resid 16 and name HB# ) 3.0 1.2 0.8 ! A.501 at 6.58e+06 assign (resid 16 and name HB# ) (resid 16 and name HE2 ) 4.0 2.2 1.2 ! A.201 at 4.93e+06 assign (resid 16 and name HB# ) (resid 16 and name HN ) 2.5 0.7 0.9 ! A.191 at 1.15e+07 !assign (resid 16 and name HB# ) (resid 17 and name HB2 ) 4.0 2.2 1.8 ! A.462 at 1.67e+06 assign (resid 16 and name HB# ) (resid 17 and name HN ) 3.0 1.2 1.0 ! A.202 at 4.75e+06 !assign (resid 16 and name HN ) (resid 17 and name HB2 ) 3.0 1.2 1.6 ! B.182 at 5.36e+06 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.0 1.2 0.5 ! B.57 at 4.05e+06 assign (resid 16 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.113 at 2.22e+06 assign (resid 16 and name HA ) (resid 19 and name HB2 ) 4.0 2.2 1.0 ! A.115 at 2.10e+06 assign (resid 16 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.112 at 2.46e+06 !assign (resid 16 and name HB# ) (resid 20 and name HN ) 4.0 2.2 1.5 ! A.203 at 2.49e+06 assign (resid 16 and name HA ) (resid 24 and name HD2 ) 3.0 1.2 0.3 ! A.109 at 5.73e+06 assign (resid 16 and name HA ) (resid 24 and name HE2 ) 3.0 1.2 0.5 ! A.108 at 6.51e+06 assign (resid 16 and name HA ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.116 at 1.90e+06 assign (resid 16 and name HD1 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.504 at 2.24e+06 assign (resid 16 and name HD1 ) (resid 24 and name HE2 ) 2.5 0.7 0.2 ! A.503 at 1.06e+07 assign (resid 16 and name HD1 ) (resid 24 and name HD2 ) 4.0 2.2 1.0 ! A.493 at 1.57e+06 assign (resid 16 and name HB# ) (resid 24 and name HE2 ) 3.0 1.2 0.8 ! A.188 at 4.93e+06 assign (resid 16 and name HN ) (resid 24 and name HE2 ) 4.0 2.2 1.0 ! B.58 at 2.47e+06 ! L17 assign (resid 17 and name HA ) (resid 17 and name HG ) 3.0 1.2 0.5 ! A.547 at 1.55e+07 assign (resid 17 and name HA ) (resid 17 and name HD1# ) 4.0 2.2 1.0 ! A.546 at 2.21e+07 assign (resid 17 and name HA ) (resid 17 and name HD2# ) 3.0 1.2 1.0 ! A.554 at 1.87e+07 assign (resid 17 and name HB2 ) (resid 17 and name HN ) 3.0 1.2 0.2 ! A.461 at 4.27e+06 assign (resid 17 and name HB1 ) (resid 17 and name HN ) 3.0 1.2 1.0 ! A.460 at 5.70e+06 assign (resid 17 and name HB1 ) (resid 17 and name HD2# ) 3.0 1.2 1.0 ! A.50 at 1.48e+07 assign (resid 17 and name HB1 ) (resid 17 and name HD1# ) 3.0 1.2 0.5 ! A.49 at 1.52e+07 assign (resid 17 and name HB2 ) (resid 17 and name HD1# ) 2.5 0.7 0.7 ! A.48 at 1.70e+07 assign (resid 17 and name HB2 ) (resid 17 and name HD2# ) 3.0 1.2 1.0 ! A.47 at 1.88e+07 assign (resid 17 and name HG ) (resid 17 and name HN ) 3.0 1.2 1.2 ! A.827 at 3.80e+06 assign (resid 17 and name HD1# ) (resid 17 and name HN ) 3.0 1.2 1.2 ! A.551 at 4.86e+06 assign (resid 17 and name HD2# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.553 at 3.42e+06 !assign (resid 17 and name HG ) (resid 18 and name HA ) 4.0 2.2 2.5 ! A.425 at 2.03e+06 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.544 at 3.99e+06 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.41 at 2.23e+06 !assign (resid 17 and name HB2 ) (resid 18 and name HA ) 4.0 2.2 1.5 ! A.46 at 2.04e+06 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 1.2 1.0 ! A.40 at 2.87e+06 assign (resid 17 and name HG ) (resid 18 and name HN ) 4.0 2.2 0.5 ! A.825 at 3.04e+06 ! V18 assign (resid 18 and name HA ) (resid 18 and name HG2# ) 2.5 0.7 0.7 ! A.424 at 1.88e+07 assign (resid 18 and name HA ) (resid 18 and name HG1# ) 3.0 1.2 0.7 ! A.423 at 1.95e+07 assign (resid 18 and name HB ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.119 at 6.88e+06 assign (resid 18 and name HG1# ) (resid 18 and name HN ) 3.0 1.2 1.4 ! A.721 at 1.38e+07 assign (resid 18 and name HG2# ) (resid 18 and name HN ) 3.0 1.2 1.0 ! A.142 at 5.82e+06 assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.421 at 1.62e+06 assign (resid 18 and name HB ) (resid 19 and name HB2 ) 4.0 2.2 1.0 ! A.558 at 2.67e+06 assign (resid 18 and name HB ) (resid 19 and name HB1 ) 4.0 2.2 2.0 ! A.559 at 2.29e+06 assign (resid 18 and name HB ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.118 at 3.54e+06 assign (resid 18 and name HG1# ) (resid 19 and name HN ) 3.0 1.2 1.0 ! A.722 at 4.21e+06 assign (resid 18 and name HG2# ) (resid 19 and name HN ) 3.0 1.2 1.7 ! A.143 at 4.16e+06 assign (resid 18 and name HN ) (resid 19 and name HN ) 3.0 1.2 0.5 ! B.40 at 3.61e+06 assign (resid 18 and name HB ) (resid 24 and name HB1 ) 4.0 2.2 2.0 ! A.123 at 1.88e+06 assign (resid 18 and name HG2# ) (resid 78 and name HA ) 2.5 0.7 0.7 ! A.960 at 1.41e+07 assign (resid 18 and name HG2# ) (resid 78 and name HB1 ) 4.0 2.2 1.0 ! A.1351 at 1.61e+07 !assign (resid 18 and name HN ) (resid 78 and name HD1# ) 4.0 2.2 2.5 ! A.985 at 2.11e+06 assign (resid 18 and name HB ) (resid 81 and name HG ) 3.0 1.2 1.3 ! A.125 at 7.42e+06 assign (resid 18 and name HB ) (resid 81 and name HD2# ) 3.0 1.2 0.7 ! A.127 at 1.70e+07 assign (resid 18 and name HN ) (resid 81 and name HD2# ) 4.0 2.2 1.5 ! A.859 at 1.82e+06 assign (resid 18 and name HG2# ) (resid 82 and name HA ) 4.0 2.2 1.2 ! A.593 at 1.52e+07 assign (resid 18 and name HG1# ) (resid 82 and name HA ) 3.0 1.2 0.5 ! A.592 at 1.17e+07 assign (resid 18 and name HG2# ) (resid 82 and name HG2 ) 3.0 1.2 1.5 ! A.131 at 1.29e+07 assign (resid 18 and name HG1# ) (resid 82 and name HG2 ) 3.0 1.2 0.8 ! A.455 at 5.97e+06 assign (resid 18 and name HB ) (resid 82 and name HG2 ) 3.0 1.2 1.8 ! A.1014 at 2.21e+07 assign (resid 18 and name HG2# ) (resid 82 and name HG1 ) 3.0 1.2 0.8 ! A.997 at 9.89e+06 assign (resid 18 and name HG1# ) (resid 82 and name HG1 ) 3.0 1.2 0.8 ! A.456 at 9.89e+06 ! C19 assign (resid 19 and name HA ) (resid 19 and name HB1 ) 2.5 0.7 0.3 ! A.561 at 4.29e+06 assign (resid 19 and name HA ) (resid 19 and name HB2 ) 3.0 1.2 0.5 ! A.560 at 4.89e+06 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.567 at 2.78e+06 assign (resid 19 and name HB2 ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.568 at 4.68e+06 assign (resid 19 and name HA ) (resid 20 and name HA1 ) 3.0 1.2 1.7 ! A.342 at 4.33e+06 assign (resid 19 and name HA ) (resid 20 and name HA2 ) 4.0 2.2 1.2 ! A.343 at 3.08e+06 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.565 at 1.83e+06 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 2.5 0.7 0.5 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.0 1.2 0.8 ! B.39 at 4.05e+06 assign (resid 19 and name HA ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.216 at 2.60e+06 assign (resid 19 and name HA ) (resid 22 and name HD2 ) 3.0 1.2 1.08 ! A.87 at 3.74e+06 assign (resid 19 and name HA ) (resid 22 and name HD1 ) 4.0 2.2 1.0 ! A.88 at 2.95e+06 assign (resid 19 and name HB1 ) (resid 22 and name HB2 ) 3.0 1.2 0.3 ! A.617 at 5.14e+06 assign (resid 19 and name HB1 ) (resid 22 and name HB1 ) 3.0 1.2 0.8 ! A.618 at 6.05e+06 assign (resid 19 and name HB1 ) (resid 23 and name HA1 ) 4.0 2.2 1.5 ! A.816 at 2.04e+06 assign (resid 19 and name HB1 ) (resid 23 and name HA2 ) 4.0 2.2 1.2 ! A.815 at 1.93e+06 assign (resid 19 and name HB2 ) (resid 23 and name HA2 ) 4.0 2.2 1.3 ! A.579 at 1.68e+06 assign (resid 19 and name HB1 ) (resid 23 and name HN ) 2.5 0.7 0.5 ! A.1409 at 3.93e+06 assign (resid 19 and name HB2 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.1410 at 4.68e+06 assign (resid 19 and name HB2 ) (resid 24 and name HB1 ) 2.5 0.7 0.5 ! A.1412 at 1.42e+07 assign (resid 19 and name HB2 ) (resid 24 and name HD2 ) 3.0 1.2 0.3 ! A.489 at 4.62e+06 assign (resid 19 and name HB1 ) (resid 24 and name HD2 ) 4.0 2.2 1.0 ! A.564 at 1.70e+06 assign (resid 19 and name HA ) (resid 85 and name HB1 ) 3.0 1.2 0.5 assign (resid 19 and name HA ) (resid 85 and name HB2 ) 3.0 1.2 1.5 assign (resid 19 and name HB1 ) (resid 85 and name HB1 ) 3.0 1.2 0.7 ! A.1411 at 1.81e+07 assign (resid 19 and name HB1 ) (resid 85 and name HA ) 3.0 1.2 0.5 assign (resid 19 and name HB2 ) (resid 85 and name HA ) 3.0 1.2 1.8 assign (resid 19 and name HB1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.569 at 2.01e+06 assign (resid 19 and name HB2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.566 at 1.53e+06 !assign (resid 19 and name O ) (resid 22 and name N ) 3.0 1.2 0.5 ! !assign (resid 19 and name O ) (resid 22 and name HN ) 2.5 0.7 0.2 ! ! G20 assign (resid 20 and name HA1 ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.345 at 2.00e+06 assign (resid 20 and name HA2 ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.344 at 2.11e+06 !assign (resid 20 and name O ) (resid 23 and name N ) 3.0 1.2 0.5 ! !assign (resid 20 and name O ) (resid 23 and name HN ) 2.5 0.7 0.2 ! ! E21 assign (resid 21 and name HA ) (resid 21 and name HG# ) 3.0 1.2 0.7 ! A.590 at 2.16e+07 assign (resid 21 and name HB# ) (resid 21 and name HN ) 4.0 2.2 1.5 ! A.583 at 1.86e+06 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.9 ! A.605 at 1.43e+07 assign (resid 21 and name HG# ) (resid 22 and name HN ) 3.0 1.2 1.5 ! A.586 at 4.53e+06 assign (resid 21 and name HB# ) (resid 22 and name HA ) 4.0 2.2 1.0 ! A.584 at 2.40e+07 assign (resid 21 and name HB# ) (resid 22 and name HN ) 3.0 1.2 1.0 ! B.91 at 9.13e+06 ! R22 assign (resid 22 and name HA ) (resid 22 and name HG# ) 2.5 0.7 0.7 ! A.591 at 1.76e+07 assign (resid 22 and name HA ) (resid 22 and name HD1 ) 3.0 1.2 1.5 ! A.1005 at 6.68e+06 assign (resid 22 and name HD1 ) (resid 22 and name HB1 ) 3.0 1.2 1.3 ! A.80 at 5.49e+06 assign (resid 22 and name HD2 ) (resid 22 and name HB2 ) 3.0 1.2 0.5 ! A.79 at 5.76e+06 assign (resid 22 and name HD2 ) (resid 22 and name HA ) 4.0 2.2 1.0 ! A.86 at 2.00e+06 assign (resid 22 and name HB2 ) (resid 22 and name HD1 ) 3.0 1.2 0.5 ! A.619 at 4.95e+06 assign (resid 22 and name HB1 ) (resid 22 and name HD2 ) 3.0 1.2 1.0 ! A.616 at 6.79e+06 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.612 at 4.55e+06 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.611 at 4.72e+06 assign (resid 22 and name HG# ) (resid 22 and name HN ) 3.0 1.2 1.0 ! A.828 at 6.43e+06 assign (resid 22 and name HD1 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.92 at 3.29e+06 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.608 at 1.09e+07 assign (resid 22 and name HB2 ) (resid 23 and name HA1 ) 4.0 2.2 1.5 ! A.1329 at 4.62e+06 assign (resid 22 and name HG# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.830 at 1.96e+06 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.0 1.2 0.5 ! B.94 at 5.23e+06 assign (resid 22 and name HB2 ) (resid 85 and name HB2 ) 4.0 2.2 1.0 ! A.577 at 2.53e+06 assign (resid 22 and name HB2 ) (resid 85 and name HB1 ) 4.0 2.2 1.0 ! A.576 at 2.08e+06 ! G23 assign (resid 23 and name HA2 ) (resid 24 and name HA ) 4.0 2.2 1.0 ! A.814 at 1.33e+06 assign (resid 23 and name HA2 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.805 at 5.42e+06 assign (resid 23 and name HA1 ) (resid 24 and name HA ) 4.0 2.2 1.0 ! A.812 at 2.95e+06 assign (resid 23 and name HA1 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.808 at 4.44e+06 assign (resid 23 and name HA1 ) (resid 24 and name HD2 ) 4.0 2.2 1.0 ! A.811 at 2.44e+06 assign (resid 23 and name HA2 ) (resid 24 and name HD2 ) 4.0 2.2 1.0 ! A.809 at 3.01e+06 assign (resid 23 and name HN ) (resid 86 and name HB2 ) 3.0 1.2 0.8 ! A.223 at 6.53e+06 assign (resid 23 and name HN ) (resid 86 and name HB1 ) 3.0 1.2 1.2 ! A.221 at 6.25e+06 ! F24 assign (resid 24 and name HD1 ) (resid 24 and name HA ) 4.0 2.2 1.0 ! A.492 at 1.71e+06 assign (resid 24 and name HD1 ) (resid 24 and name HB1 ) 3.0 1.2 0.6 ! A.491 at 3.84e+06 assign (resid 24 and name HD2 ) (resid 24 and name HB1 ) 3.0 1.2 0.3 ! A.490 at 3.84e+06 assign (resid 24 and name HD1 ) (resid 24 and name HB2 ) 3.0 1.2 0.3 ! A.705 at 4.46e+06 assign (resid 24 and name HB2 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.643 at 1.82e+06 assign (resid 24 and name HN ) (resid 25 and name HN ) 4.0 2.2 1.0 ! B.185 at 2.42e+06 assign (resid 24 and name HD1 ) (resid 26 and name HD1 ) 2.5 0.7 0.5 ! A.495 at 1.72e+07 assign (resid 24 and name HD1 ) (resid 26 and name HB# ) 3.0 1.2 1.5 ! A.706 at 4.62e+06 !assign (resid 24 and name HB1 ) (resid 67 and name HD1# ) 4.0 2.2 2.9 ! A.781 at 2.42e+06 assign (resid 24 and name HD1 ) (resid 84 and name HB1 ) 4.0 2.2 1.5 ! A.185 at 1.78e+06 assign (resid 24 and name HA ) (resid 85 and name HB2 ) 3.0 1.2 2.0 ! A.575 at 4.58e+06 assign (resid 24 and name HA ) (resid 85 and name HB1 ) 3.0 1.2 1.2 ! A.574 at 4.63e+06 assign (resid 24 and name HA ) (resid 85 and name HA ) 2.5 0.7 0.5 assign (resid 24 and name HB1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.645 at 1.78e+06 ! F25 assign (resid 25 and name HB# ) (resid 25 and name HD1 ) 2.5 0.7 0.7 ! A.229 at 1.02e+07 assign (resid 25 and name HB# ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.232 at 2.33e+06 assign (resid 25 and name HB# ) (resid 25 and name HD2 ) 2.5 0.7 0.7 ! A.230 at 1.02e+07 assign (resid 25 and name HB# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.231 at 2.26e+06 assign (resid 25 and name HB# ) (resid 27 and name HG2# ) 4.0 2.2 2.5 ! A.715 at 3.35e+06 assign (resid 25 and name HD1 ) (resid 27 and name HG2# ) 3.0 1.2 1.4 ! A.713 at 3.65e+06 assign (resid 25 and name HA ) (resid 27 and name HG2# ) 4.0 2.2 2.0 ! A.712 at 2.53e+06 assign (resid 25 and name HE2 ) (resid 86 and name HA ) 4.0 2.2 1.3 ! A.19 at 2.90e+06 ! Y26 assign (resid 26 and name HD1 ) (resid 26 and name HB# ) 3.0 1.2 0.8 ! A.496 at 5.92e+06 assign (resid 26 and name HD2 ) (resid 26 and name HB# ) 3.0 1.2 0.8 ! A.496 at 5.92e+06 assign (resid 26 and name HD1 ) (resid 26 and name HA ) 3.0 2.2 1.0 ! A.494 at 2.17e+06 assign (resid 26 and name HD2 ) (resid 26 and name HA ) 3.0 2.2 1.0 ! A.494 at 2.17e+06 assign (resid 26 and name HB# ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.227 at 3.18e+06 !assign (resid 26 and name HE2 ) (resid 28 and name HB2 ) 4.0 2.2 1.2 ! A.68 at 2.56e+06 assign (resid 26 and name HE2 ) (resid 28 and name HG# ) 4.0 2.2 2.0 ! A.67 at 1.95e+06 assign (resid 26 and name HE2 ) (resid 28 and name HE# ) 4.0 2.2 2.0 ! A.72 at 3.16e+06 assign (resid 26 and name HE2 ) (resid 28 and name HB1 ) 4.0 2.2 1.0 ! A.1037 at 1.99e+06 !assign (resid 26 and name HA ) (resid 67 and name HG2# ) 3.0 1.2 1.8 ! A.892 at 7.22e+06 assign (resid 26 and name HE1 ) (resid 67 and name HD1# ) 4.0 2.2 1.8 ! A.63 at 2.96e+06 assign (resid 26 and name HD1 ) (resid 67 and name HG2# ) 4.0 2.2 1.5 ! A.765 at 1.88e+06 ! T27 assign (resid 27 and name HA ) (resid 27 and name HG2# ) 2.5 0.7 0.7 ! A.708 at 1.12e+07 assign (resid 27 and name HB ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.682 at 2.37e+06 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.0 1.2 0.5 ! A.709 at 7.90e+06 assign (resid 27 and name HG2# ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.714 at 2.92e+06 assign (resid 27 and name HB ) (resid 29 and name HD2 ) 4.0 2.2 2.3 ! A.684 at 2.67e+06 ! K28 assign (resid 28 and name HA ) (resid 28 and name HG# ) 3.0 1.2 0.8 ! A.1017 at 8.69e+06 assign (resid 28 and name HB2 ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.1036 at 3.00e+06 assign (resid 28 and name HB1 ) (resid 28 and name HN ) 3.0 1.2 1.3 ! A.1035 at 4.66e+06 assign (resid 28 and name HB1 ) (resid 28 and name HD# ) 3.0 1.2 0.8 ! A.1026 at 3.87e+06 assign (resid 28 and name HB2 ) (resid 28 and name HD# ) 4.0 2.2 1.5 ! A.1027 at 2.67e+06 assign (resid 28 and name HG# ) (resid 28 and name HE# ) 2.5 0.7 1.2 ! A.1190 at 1.19e+07 assign (resid 28 and name HG# ) (resid 28 and name HN ) 4.0 2.2 1.5 ! B.247 at 3.01e+06 assign (resid 28 and name HA ) (resid 29 and name HD1 ) 3.0 1.2 0.2 ! A.1021 at 2.13e+07 assign (resid 28 and name HA ) (resid 29 and name HD2 ) 3.0 1.2 0.2 ! A.1022 at 1.90e+07 assign (resid 28 and name HA ) (resid 29 and name HG1 ) 4.0 2.2 1.0 ! A.1020 at 5.25e+06 assign (resid 28 and name HN ) (resid 29 and name HD1 ) 4.0 2.2 1.0 ! A.750 at 2.38e+06 assign (resid 28 and name HG# ) (resid 29 and name HD1 ) 4.0 2.2 1.3 ! A.1192 at 3.53e+06 assign (resid 28 and name HG# ) (resid 29 and name HD2 ) 4.0 2.2 1.5 ! A.1093 at 4.43e+06 assign (resid 28 and name HB2 ) (resid 29 and name HD2 ) 4.0 2.2 1.2 ! A.1283 at 8.96e+06 assign (resid 28 and name HB1 ) (resid 29 and name HD1 ) 4.0 2.2 1.0 ! A.1284 at 4.02e+06 assign (resid 28 and name HB1 ) (resid 29 and name HD2 ) 4.0 2.2 1.0 ! A.1028 at 3.17e+06 assign (resid 28 and name HB2 ) (resid 29 and name HD1 ) 4.0 2.2 1.0 ! A.1031 at 2.10e+06 assign (resid 28 and name HB1 ) (resid 30 and name HB ) 4.0 2.2 2.3 ! A.1147 at 2.59e+06 assign (resid 28 and name HB2 ) (resid 30 and name HB ) 4.0 2.2 2.0 ! A.1146 at 2.51e+06 assign (resid 28 and name HG# ) (resid 30 and name HA ) 4.0 2.2 2.8 ! A.1145 at 2.08e+06 assign (resid 28 and name HB1 ) (resid 68 and name HG1# ) 4.0 2.2 1.3 ! A.137 at 2.68e+07 ! P29 assign (resid 29 and name HA ) (resid 29 and name HG2 ) 3.0 1.2 1.0 ! A.730 at 1.57e+07 assign (resid 29 and name HA ) (resid 29 and name HG1 ) 3.0 1.2 0.5 ! A.729 at 1.57e+07 assign (resid 29 and name HA ) (resid 29 and name HD1 ) 3.0 1.2 0.8 ! A.1286 at 1.60e+07 assign (resid 29 and name HA ) (resid 29 and name HD2 ) 3.0 1.2 1.0 ! A.1285 at 1.65e+07 assign (resid 29 and name HD1 ) (resid 29 and name HB1 ) 3.0 1.2 0.8 ! A.756 at 6.87e+06 assign (resid 29 and name HD2 ) (resid 29 and name HB1 ) 3.0 1.2 1.2 ! A.755 at 5.20e+06 assign (resid 29 and name HB2 ) (resid 29 and name HD1 ) 3.0 1.2 1.4 ! A.735 at 9.12e+06 assign (resid 29 and name HB2 ) (resid 29 and name HD2 ) 3.0 1.2 0.7 ! A.736 at 8.38e+06 !assign (resid 29 and name HA ) (resid 30 and name HG2# ) 4.0 2.2 2.8 ! A.731 at 1.99e+06 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.728 at 5.94e+06 assign (resid 29 and name HB2 ) (resid 30 and name HA ) 4.0 2.2 1.8 ! A.1144 at 2.17e+06 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 3.0 1.2 1.5 ! A.636 at 4.25e+06 assign (resid 29 and name HB2 ) (resid 30 and name HN ) 3.0 1.2 1.5 ! A.733 at 5.16e+06 assign (resid 29 and name HG2 ) (resid 30 and name HN ) 4.0 2.2 1.8 ! A.741 at 2.41e+06 assign (resid 29 and name HG1 ) (resid 30 and name HN ) 4.0 2.2 1.8 ! A.740 at 2.41e+06 ! T30 assign (resid 30 and name HB ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.687 at 3.44e+06 assign (resid 30 and name HA ) (resid 30 and name HG2# ) 3.0 1.2 0.7 ! A.104 at 1.97e+07 assign (resid 30 and name HG2# ) (resid 30 and name HN ) 3.0 1.2 1.8 ! A.717 at 5.94e+06 assign (resid 30 and name HB ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.688 at 2.27e+06 assign (resid 30 and name HA ) (resid 31 and name HB2 ) 3.0 1.2 1.5 ! A.1143 at 3.82e+06 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.0 1.2 0.5 ! A.105 at 6.75e+06 assign (resid 30 and name HB ) (resid 33 and name HB2 ) 4.0 2.2 1.5 ! A.1148 at 3.00e+06 ! R31 assign (resid 31 and name HA ) (resid 31 and name HG# ) 2.5 0.7 0.7 ! A.1155 at 3.48e+07 assign (resid 31 and name HD# ) (resid 31 and name HB2 ) 3.0 1.2 1.0 ! A.1162 at 3.90e+07 assign (resid 31 and name HD# ) (resid 31 and name HB1 ) 3.0 1.2 0.7 ! A.1163 at 2.65e+07 assign (resid 31 and name HD# ) (resid 31 and name HA ) 3.0 1.2 1.5 ! A.1165 at 1.46e+07 assign (resid 31 and name HG# ) (resid 31 and name HN ) 3.0 1.2 1.8 ! A.1158 at 6.40e+06 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.1217 at 1.06e+07 ! R32 assign (resid 32 and name HA ) (resid 32 and name HG# ) 3.0 1.2 1.0 ! A.1154 at 3.55e+07 assign (resid 32 and name HA ) (resid 32 and name HD# ) 4.0 2.2 1.2 ! A.1166 at 1.46e+07 assign (resid 32 and name HD# ) (resid 32 and name HB# ) 2.5 0.7 1.2 ! A.1164 at 2.65e+07 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.7 ! A.1105 at 1.54e+07 assign (resid 32 and name HA ) (resid 33 and name HG# ) 3.0 1.2 1.7 ! A.1152 at 7.95e+06 assign (resid 32 and name HG# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.1159 at 2.26e+06 assign (resid 32 and name HG# ) (resid 34 and name HN ) 4.0 2.2 1.5 ! B.48 at 3.81e+06 ! E33 assign (resid 33 and name HA ) (resid 33 and name HG# ) 3.0 1.2 0.8 ! A.1172 at 2.36e+07 assign (resid 33 and name HG# ) (resid 33 and name HN ) 3.0 1.2 1.0 ! A.1181 at 5.45e+06 assign (resid 33 and name HB2 ) (resid 33 and name HN ) 3.0 1.2 1.0 ! B.165 at 4.76e+06 assign (resid 33 and name HB1 ) (resid 33 and name HN ) 3.0 1.2 1.0 ! B.164 at 5.10e+06 assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.1178 at 2.24e+07 assign (resid 33 and name HA ) (resid 34 and name HB# ) 4.0 2.2 1.8 ! A.1195 at 1.03e+07 assign (resid 33 and name HG# ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.1183 at 1.02e+07 assign (resid 33 and name HB2 ) (resid 34 and name HN ) 3.0 1.2 1.5 ! B.49 at 4.73e+06 ! A34 assign (resid 34 and name HB# ) (resid 34 and name HN ) 3.0 1.2 0.6 ! A.1081 at 1.94e+07 assign (resid 34 and name HA ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.1045 at 1.79e+07 assign (resid 34 and name HA ) (resid 35 and name HB2 ) 4.0 2.2 2.0 ! A.1185 at 2.76e+06 assign (resid 34 and name HB# ) (resid 35 and name HN ) 3.0 1.2 1.5 ! A.1131 at 1.94e+07 assign (resid 34 and name HA ) (resid 37 and name HD2# ) 3.0 1.2 1.5 ! A.1186 at 3.95e+06 ! E35 assign (resid 35 and name HA ) (resid 35 and name HG# ) 3.0 1.2 0.7 ! A.1177 at 2.36e+07 assign (resid 35 and name HG# ) (resid 35 and name HN ) 3.0 1.2 1.8 ! A.1182 at 1.03e+07 assign (resid 35 and name HB2 ) (resid 35 and name HN ) 3.0 1.2 0.8 ! A.1196 at 1.01e+07 assign (resid 35 and name HB1 ) (resid 35 and name HN ) 3.0 1.2 1.0 ! A.1180 at 1.01e+07 assign (resid 35 and name HA ) (resid 36 and name HN ) 3.0 1.2 0.4 ! A.1169 at 2.23e+07 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 3.0 1.2 0.8 ! A.1198 at 1.00e+07 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 3.0 1.2 1.2 ! A.1197 at 8.77e+06 ! D36 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.694 at 5.67e+06 assign (resid 36 and name HB2 ) (resid 36 and name HN ) 3.0 1.2 0.8 ! A.693 at 5.74e+06 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.13 at 7.84e+06 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.691 at 3.48e+06 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.0 1.2 1.5 ! A.692 at 4.13e+06 ! L37 assign (resid 37 and name HA ) (resid 37 and name HG ) 3.0 1.2 0.6 ! A.849 at 2.76e+07 assign (resid 37 and name HA ) (resid 37 and name HD1# ) 4.0 2.2 1.0 ! A.1207 at 1.97e+07 assign (resid 37 and name HA ) (resid 37 and name HD2# ) 3.0 1.2 1.4 ! A.1208 at 4.65e+07 assign (resid 37 and name HB2 ) (resid 37 and name HD2# ) 3.0 1.2 0.6 ! A.1204 at 4.10e+07 assign (resid 37 and name HB2 ) (resid 37 and name HD1# ) 3.0 1.2 0.6 ! A.1202 at 4.61e+07 assign (resid 37 and name HB1 ) (resid 37 and name HD1# ) 3.0 1.2 0.6 ! A.1203 at 6.66e+07 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 3.0 1.2 0.7 ! A.886 at 8.56e+06 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 3.0 1.2 1.0 ! A.887 at 8.35e+06 assign (resid 37 and name HG ) (resid 37 and name HN ) 3.0 1.2 1.3 ! A.831 at 6.38e+06 assign (resid 37 and name HD1# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! B.178 at 3.65e+06 assign (resid 37 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.6 ! A.1222 at 2.24e+07 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 3.0 1.2 1.5 ! A.1055 at 7.24e+06 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 3.0 1.2 1.5 ! A.1201 at 8.07e+06 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.0 1.2 1.5 ! B.172 at 1.08e+07 ! Q38 assign (resid 38 and name HA ) (resid 38 and name HG# ) 3.0 1.2 0.8 ! A.1216 at 1.86e+07 assign (resid 38 and name HG# ) (resid 38 and name HN ) 3.0 1.2 1.5 ! A.1315 at 4.94e+06 assign (resid 38 and name HG# ) (resid 38 and name HE21 ) 3.0 1.2 0.8 ! A.1314 at 9.87e+06 assign (resid 38 and name HB1 ) (resid 38 and name HN ) 3.0 1.2 1.0 ! A.1226 at 1.45e+07 assign (resid 38 and name HB2 ) (resid 38 and name HN ) 3.0 1.2 1.0 ! A.1225 at 7.38e+06 assign (resid 38 and name HA ) (resid 39 and name HN ) 3.0 1.2 0.6 ! A.1113 at 2.12e+07 assign (resid 38 and name HA ) (resid 39 and name HB ) 4.0 2.2 2.0 ! A.1213 at 2.14e+07 assign (resid 38 and name HG# ) (resid 39 and name HN ) 3.0 1.2 1.8 ! A.1313 at 4.31e+06 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 3.0 1.2 1.5 ! A.1228 at 6.60e+06 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 3.0 1.2 1.2 ! A.1227 at 5.98e+06 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.0 1.2 1.5 ! B.130 at 6.12e+06 ! V39 assign (resid 39 and name HA ) (resid 39 and name HG2# ) 3.0 1.2 1.0 ! A.1265 at 3.28e+07 assign (resid 39 and name HA ) (resid 39 and name HG1# ) 3.0 1.2 0.6 ! A.1267 at 4.01e+07 assign (resid 39 and name HB ) (resid 39 and name HN ) 3.0 1.2 0.8 ! A.638 at 6.45e+06 assign (resid 39 and name HG2# ) (resid 39 and name HN ) 3.0 1.2 1.64 ! A.1319 at 1.39e+07 assign (resid 39 and name HA ) (resid 40 and name HN ) 3.0 1.2 0.4 ! A.1264 at 2.15e+07 assign (resid 39 and name HB ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.637 at 2.48e+06 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.0 2.2 1.0 ! B.131 at 2.90e+06 assign (resid 39 and name HA ) (resid 42 and name HG1# ) 4.0 2.2 1.5 ! A.1266 at 4.01e+07 ! G40 assign (resid 40 and name HA# ) (resid 41 and name HG# ) 4.0 2.2 2.9 ! A.1275 at 9.37e+06 assign (resid 40 and name HA# ) (resid 41 and name HN ) 3.0 1.2 1.0 ! A.803 at 8.59e+06 assign (resid 40 and name HA# ) (resid 42 and name HG1# ) 4.0 2.2 1.0 ! A.1273 at 1.25e+07 ! Q41 assign (resid 41 and name HA ) (resid 41 and name HG# ) 3.0 1.2 0.8 ! A.1224 at 1.87e+07 assign (resid 41 and name HG# ) (resid 41 and name HN ) 4.0 2.2 1.5 ! B.64 at 3.32e+06 assign (resid 41 and name HB# ) (resid 41 and name HN ) 3.0 1.2 1.0 ! B.63 at 9.43e+06 assign (resid 41 and name HE22 ) (resid 42 and name HA ) 4.0 2.2 1.5 ! A.100 at 2.38e+06 assign (resid 41 and name HA ) (resid 42 and name HN ) 3.0 1.2 0.6 ! A.1220 at 1.25e+07 assign (resid 41 and name HA ) (resid 42 and name HG1# ) 4.0 2.2 1.3 ! A.1223 at 1.89e+07 assign (resid 41 and name HB# ) (resid 42 and name HN ) 3.0 1.2 1.5 ! B.8 at 1.28e+07 assign (resid 41 and name HG# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! B.7 at 3.66e+06 ! V42 assign (resid 42 and name HA ) (resid 42 and name HG2# ) 3.0 1.2 0.7 ! A.97 at 3.46e+07 assign (resid 42 and name HA ) (resid 42 and name HG1# ) 3.0 1.2 0.8 ! A.96 at 3.46e+07 assign (resid 42 and name HG1# ) (resid 42 and name HN ) 3.0 1.2 0.8 ! A.1318 at 1.31e+07 assign (resid 42 and name HB ) (resid 42 and name HN ) 3.0 1.2 1.0 ! B.5 at 1.36e+07 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.0 1.2 0.6 ! A.103 at 1.98e+07 !assign (resid 42 and name HG1# ) (resid 43 and name HA ) 4.0 2.2 2.8 ! A.1332 at 4.86e+06 assign (resid 42 and name HG2# ) (resid 43 and name HB# ) 4.0 2.2 1.3 ! A.1335 at 4.83e+06 assign (resid 42 and name HG2# ) (resid 43 and name HN ) 3.0 1.2 1.6 ! B.241 at 4.04e+06 assign (resid 42 and name HN ) (resid 44 and name HA ) 4.0 2.2 2.5 ! B.10 at 2.31e+07 assign (resid 42 and name HA ) (resid 48 and name HG# ) 4.0 2.2 1.8 ! A.98 at 7.97e+06 assign (resid 42 and name HG2# ) (resid 48 and name HD1 ) 3.0 1.2 1.0 ! A.723 at 1.41e+07 ! E43 assign (resid 43 and name HA ) (resid 43 and name HG# ) 3.0 1.2 0.8 ! A.1331 at 7.15e+06 assign (resid 43 and name HB# ) (resid 43 and name HN ) 3.0 1.2 1.0 ! A.1179 at 6.92e+06 assign (resid 43 and name HG# ) (resid 43 and name HN ) 3.0 1.2 1.8 ! B.243 at 4.59e+06 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.0 1.2 0.6 ! A.1194 at 1.49e+07 assign (resid 43 and name HG# ) (resid 44 and name HD1# ) 3.0 1.2 1.6 ! A.1340 at 1.08e+07 assign (resid 43 and name HB# ) (resid 44 and name HD1# ) 4.0 2.2 1.5 ! A.1334 at 6.77e+06 assign (resid 43 and name HG# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! B.239 at 2.48e+06 assign (resid 43 and name HG# ) (resid 45 and name HN ) 3.0 1.2 1.8 ! A.1336 at 6.50e+06 ! L44 assign (resid 44 and name HA ) (resid 44 and name HD2# ) 3.0 1.2 1.8 ! A.26 at 2.23e+07 assign (resid 44 and name HA ) (resid 44 and name HD1# ) 3.0 1.2 1.5 ! A.24 at 2.17e+07 assign (resid 44 and name HA ) (resid 44 and name HG ) 3.0 1.2 1.5 ! A.28 at 3.03e+07 assign (resid 44 and name HB# ) (resid 44 and name HN ) 3.0 1.2 1.0 ! A.1347 at 8.91e+06 assign (resid 44 and name HB# ) (resid 44 and name HD1# ) 3.0 1.2 1.0 ! A.1348 at 4.77e+07 assign (resid 44 and name HB# ) (resid 44 and name HD2# ) 2.5 0.7 1.2 ! A.1349 at 4.75e+07 assign (resid 44 and name HG ) (resid 44 and name HN ) 3.0 1.2 1.2 ! A.833 at 8.56e+06 assign (resid 44 and name HD1# ) (resid 44 and name HN ) 3.0 1.2 1.4 ! A.1353 at 9.59e+06 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.1344 at 7.56e+06 assign (resid 44 and name HG ) (resid 45 and name HN ) 4.0 2.2 1.8 ! A.838 at 3.21e+06 assign (resid 44 and name HA ) (resid 46 and name HN ) 4.0 2.2 1.5 ! A.1345 at 1.26e+07 ! G45 assign (resid 45 and name HA# ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.1325 at 9.76e+06 ! G46 assign (resid 46 and name HA# ) (resid 47 and name HN ) 2.5 0.7 0.9 ! A.1271 at 1.24e+07 ! G47 assign (resid 47 and name HA# ) (resid 48 and name HD1 ) 2.5 0.7 0.7 ! A.1295 at 2.27e+07 assign (resid 47 and name HA# ) (resid 48 and name HD2 ) 2.5 0.7 0.7 ! A.1294 at 2.06e+07 ! P48 assign (resid 48 and name HA ) (resid 48 and name HD2 ) 3.0 1.2 1.0 ! A.1297 at 8.61e+06 assign (resid 48 and name HA ) (resid 48 and name HD1 ) 3.0 1.2 0.8 ! A.1296 at 4.66e+06 assign (resid 48 and name HB# ) (resid 48 and name HD2 ) 3.0 1.2 0.8 ! A.630 at 7.82e+06 ! G49 assign (resid 49 and name HA# ) (resid 50 and name HB# ) 4.0 2.2 1.5 ! A.1274 at 7.50e+06 assign (resid 49 and name HA# ) (resid 50 and name HN ) 2.5 0.7 0.9 ! A.1277 at 1.24e+07 assign (resid 49 and name HA# ) (resid 51 and name HN ) 3.0 1.2 0.8 ! A.1324 at 1.10e+07 ! A50 assign (resid 50 and name HB# ) (resid 50 and name HN ) 2.5 0.7 0.9 ! A.1132 at 1.98e+07 assign (resid 50 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! B.253 at 2.48e+06 ! G51 assign (resid 51 and name HA# ) (resid 52 and name HN ) 3.0 1.2 1.0 ! A.1326 at 4.72e+06 assign (resid 51 and name HA# ) (resid 53 and name HG ) 4.0 2.2 1.3 ! A.801 at 8.20e+06 ! S52 assign (resid 52 and name HA ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.707 at 5.59e+06 assign (resid 52 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 1.5 ! B.233 at 8.02e+06 assign (resid 52 and name HB1 ) (resid 53 and name HN ) 3.0 1.2 1.0 ! B.232 at 7.24e+06 ! L53 assign (resid 53 and name HA ) (resid 53 and name HD1# ) 3.0 1.2 1.8 ! A.1364 at 1.53e+07 assign (resid 53 and name HB# ) (resid 53 and name HD1# ) 2.5 0.7 1.2 ! A.1206 at 6.66e+07 assign (resid 53 and name HB# ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.889 at 8.07e+06 assign (resid 53 and name HG ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.832 at 7.09e+06 assign (resid 53 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.1368 at 1.20e+07 assign (resid 53 and name HA ) (resid 54 and name HG# ) 4.0 2.2 1.5 ! A.1365 at 4.31e+06 !assign (resid 53 and name HN ) (resid 55 and name HD2 ) 4.0 2.2 2.0 ! A.751 at 2.32e+06 ! Q54 assign (resid 54 and name HG# ) (resid 54 and name HE21 ) 3.0 1.2 0.8 ! A.1395 at 9.99e+06 assign (resid 54 and name HG# ) (resid 54 and name HN ) 3.0 1.2 1.5 ! A.1308 at 8.83e+06 assign (resid 54 and name HG# ) (resid 54 and name HA ) 3.0 1.2 0.8 ! A.1307 at 9.76e+06 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.1306 at 1.01e+07 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.8 ! A.1305 at 4.93e+06 assign (resid 54 and name HB1 ) (resid 55 and name HA ) 4.0 2.2 2.0 ! A.1087 at 1.48e+07 assign (resid 54 and name HN ) (resid 55 and name HD1 ) 4.0 2.2 1.0 ! A.1292 at 2.38e+06 assign (resid 54 and name HN ) (resid 55 and name HD2 ) 4.0 2.2 1.5 ! A.1293 at 2.32e+06 assign (resid 54 and name HA ) (resid 55 and name HD1 ) 3.0 1.2 1.0 ! A.1287 at 2.17e+07 assign (resid 54 and name HA ) (resid 55 and name HD2 ) 3.0 1.2 1.0 ! A.1288 at 2.48e+07 assign (resid 54 and name HB1 ) (resid 55 and name HD2 ) 3.0 1.2 1.2 ! A.1303 at 4.95e+06 assign (resid 54 and name HB1 ) (resid 55 and name HD1 ) 3.0 1.2 1.3 ! A.1301 at 5.29e+06 assign (resid 54 and name HB2 ) (resid 55 and name HD2 ) 3.0 1.2 1.0 ! A.1302 at 3.61e+06 assign (resid 54 and name HB2 ) (resid 55 and name HD1 ) 3.0 1.2 1.6 ! A.1300 at 4.39e+06 ! P55 assign (resid 55 and name HA ) (resid 55 and name HG# ) 3.0 1.2 1.0 ! A.1088 at 1.39e+07 assign (resid 55 and name HA ) (resid 55 and name HD1 ) 3.0 1.2 1.0 ! A.1091 at 7.56e+06 assign (resid 55 and name HD2 ) (resid 55 and name HA ) 3.0 1.2 1.0 ! A.1290 at 5.73e+06 assign (resid 55 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.1039 at 2.24e+07 assign (resid 55 and name HA ) (resid 56 and name HG ) 3.0 1.2 0.5 ! A.1090 at 5.03e+06 assign (resid 55 and name HA ) (resid 56 and name HB# ) 4.0 2.2 1.5 ! A.1089 at 5.92e+06 assign (resid 55 and name HA ) (resid 57 and name HN ) 3.0 1.2 1.4 ! A.1322 at 1.89e+07 assign (resid 55 and name HD1 ) (resid 58 and name HD2# ) 4.0 2.2 2.0 ! A.1097 at 2.10e+06 assign (resid 55 and name HD2 ) (resid 58 and name HD2# ) 4.0 2.2 2.0 ! A.1096 at 2.36e+06 assign (resid 55 and name HG# ) (resid 58 and name HD2# ) 3.0 1.2 1.0 ! A.1137 at 1.70e+07 assign (resid 55 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.5 ! B.16 at 2.12e+07 assign (resid 55 and name HA ) (resid 59 and name HG# ) 4.0 2.2 1.2 ! A.1248 at 2.33e+07 assign (resid 55 and name HD1 ) (resid 59 and name HG# ) 4.0 2.2 2.2 ! A.1095 at 6.87e+06 assign (resid 55 and name HD2 ) (resid 59 and name HG# ) 3.0 1.2 1.7 ! A.1094 at 5.20e+06 assign (resid 55 and name HD2 ) (resid 62 and name HD1# ) 4.0 2.2 2.7 ! A.1092 at 2.36e+06 ! L56 assign (resid 56 and name HA ) (resid 56 and name HD2# ) 2.5 0.7 0.7 ! A.1050 at 4.79e+07 assign (resid 56 and name HA ) (resid 56 and name HG ) 2.5 0.7 0.6 ! A.1052 at 5.78e+07 assign (resid 56 and name HB# ) (resid 56 and name HN ) 2.5 0.7 0.9 ! A.888 at 1.06e+07 assign (resid 56 and name HB# ) (resid 56 and name HD1# ) 2.5 0.7 1.2 ! A.1069 at 4.74e+07 assign (resid 56 and name HB# ) (resid 56 and name HD2# ) 2.5 0.7 1.2 ! A.1070 at 4.33e+07 assign (resid 56 and name HG ) (resid 56 and name HN ) 3.0 1.2 0.5 ! A.836 at 6.11e+06 assign (resid 56 and name HD1# ) (resid 56 and name HN ) 3.0 1.2 1.8 ! A.1356 at 5.49e+06 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.8 ! A.1067 at 1.03e+07 assign (resid 56 and name HB# ) (resid 57 and name HA ) 3.0 1.2 1.8 ! A.882 at 2.26e+07 assign (resid 56 and name HB# ) (resid 57 and name HN ) 3.0 1.2 1.0 ! A.1068 at 7.46e+06 assign (resid 56 and name HD1# ) (resid 57 and name HN ) 4.0 2.2 1.8 ! A.1354 at 1.32e+07 assign (resid 56 and name HA ) (resid 59 and name HN ) 3.0 1.2 0.8 ! A.1104 at 1.43e+07 assign (resid 56 and name HA ) (resid 59 and name HG# ) 3.0 1.2 1.0 ! A.1054 at 1.12e+07 assign (resid 56 and name HA ) (resid 59 and name HB# ) 3.0 1.2 1.5 ! A.1053 at 1.59e+07 assign (resid 56 and name HN ) (resid 59 and name HG# ) 3.0 1.2 1.5 ! A.1337 at 1.00e+07 assign (resid 56 and name HD2# ) (resid 59 and name HG# ) 3.0 1.2 1.8 ! A.1341 at 1.08e+07 assign (resid 56 and name HD2# ) (resid 59 and name HB# ) 4.0 2.2 1.5 ! A.1360 at 3.50e+07 !assign (resid 56 and name HB# ) (resid 60 and name HA# ) 4.0 2.2 2.2 ! A.1116 at 3.22e+06 ! A57 assign (resid 57 and name HB# ) (resid 57 and name HN ) 2.5 0.7 0.9 ! A.1080 at 2.01e+07 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.1043 at 1.89e+07 assign (resid 57 and name HA ) (resid 58 and name HD2# ) 4.0 2.2 1.5 ! A.1076 at 5.01e+06 assign (resid 57 and name HB# ) (resid 58 and name HN ) 2.5 0.7 0.9 ! A.1079 at 2.01e+07 assign (resid 57 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.3 ! A.1102 at 2.57e+06 assign (resid 57 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.8 ! B.2 at 3.47e+06 ! L58 assign (resid 58 and name HA ) (resid 58 and name HG ) 3.0 1.2 1.0 ! A.1100 at 3.65e+07 assign (resid 58 and name HA ) (resid 58 and name HD2# ) 3.0 1.2 1.2 ! A.1136 at 3.90e+07 assign (resid 58 and name HA ) (resid 58 and name HD1# ) 4.0 2.2 1.2 ! A.1098 at 3.90e+07 assign (resid 58 and name HB# ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.1139 at 9.29e+06 assign (resid 58 and name HG ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.834 at 5.95e+06 assign (resid 58 and name HD2# ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.1355 at 5.19e+06 assign (resid 58 and name HD1# ) (resid 58 and name HB# ) 2.5 0.7 1.2 ! A.1138 at 5.90e+07 assign (resid 58 and name HB# ) (resid 59 and name HA ) 4.0 2.2 1.5 ! A.1119 at 3.16e+06 assign (resid 58 and name HA ) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.1133 at 8.52e+06 assign (resid 58 and name HB# ) (resid 59 and name HN ) 3.0 1.2 1.5 ! A.1140 at 5.98e+06 assign (resid 58 and name HN ) (resid 59 and name HN ) 3.0 1.2 0.5 ! B.149 at 4.13e+06 assign (resid 58 and name HA ) (resid 60 and name HN ) 3.0 1.2 1.05 ! A.1218 at 5.59e+06 assign (resid 58 and name HA ) (resid 61 and name HN ) 3.0 1.2 1.0 ! A.1134 at 1.61e+07 ! E59 assign (resid 59 and name HA ) (resid 59 and name HG# ) 3.0 1.2 0.7 ! A.1006 at 2.64e+07 assign (resid 59 and name HG# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.1126 at 6.60e+06 assign (resid 59 and name HB# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! B.21 at 7.48e+06 assign (resid 59 and name HA ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.603 at 6.71e+06 assign (resid 59 and name HB# ) (resid 60 and name HA# ) 4.0 2.2 1.5 ! A.1117 at 5.00e+06 assign (resid 59 and name HA ) (resid 62 and name HD1# ) 3.0 1.2 1.0 ! A.1115 at 1.71e+07 ! G60 assign (resid 60 and name HA# ) (resid 61 and name HN ) 3.0 1.2 1.0 ! A.1084 at 4.14e+06 assign (resid 60 and name HA# ) (resid 64 and name HB1 ) 4.0 2.2 2.8 ! A.1118 at 3.40e+06 ! S61 assign (resid 61 and name HA ) (resid 62 and name HA ) 4.0 2.2 1.2 ! A.1064 at 1.24e+07 !assign (resid 61 and name HA ) (resid 62 and name HD2# ) 4.0 2.2 2.2 ! A.1057 at 2.77e+06 assign (resid 61 and name HA ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.1065 at 4.77e+06 assign (resid 61 and name HA ) (resid 64 and name HB1 ) 3.0 1.2 1.8 ! A.1063 at 3.73e+06 assign (resid 61 and name HA ) (resid 64 and name HB2 ) 3.0 1.2 1.8 ! A.1060 at 4.04e+06 assign (resid 61 and name HA ) (resid 64 and name HD# ) 4.0 2.2 1.0 ! A.1247 at 6.59e+06 ! L62 ! Q63 assign (resid 63 and name HA ) (resid 64 and name HD# ) 3.0 1.2 1.5 ! A.1249 at 4.39e+07 assign (resid 63 and name HA ) (resid 64 and name HN ) 3.0 1.2 0.8 ! A.1250 at 1.17e+07 ! K64 assign (resid 64 and name HE# ) (resid 64 and name HG# ) 2.5 0.7 1.2 ! A.1259 at 2.31e+07 assign (resid 64 and name HE# ) (resid 64 and name HB1 ) 4.0 2.2 1.0 ! A.1260 at 7.28e+06 assign (resid 64 and name HE# ) (resid 64 and name HB2 ) 4.0 2.2 1.0 ! A.1258 at 3.56e+07 assign (resid 64 and name HD# ) (resid 64 and name HA ) 3.0 1.2 1.6 ! A.1251 at 5.85e+06 assign (resid 64 and name HA ) (resid 66 and name HN ) 3.0 1.2 1.5 ! A.1219 at 1.62e+07 ! R65 assign (resid 65 and name HD1 ) (resid 65 and name HB1 ) 3.0 1.2 1.2 ! A.77 at 5.49e+06 assign (resid 65 and name HD2 ) (resid 65 and name HB1 ) 3.0 1.2 1.2 ! A.76 at 5.76e+06 assign (resid 65 and name HG# ) (resid 65 and name HA ) 3.0 1.2 0.8 ! A.847 at 8.28e+06 assign (resid 65 and name HG# ) (resid 65 and name HN ) 3.0 1.2 1.8 ! A.829 at 6.43e+06 ! G66 assign (resid 66 and name HA# ) (resid 67 and name HN ) 2.5 0.7 0.9 ! A.804 at 1.31e+07 assign (resid 66 and name HA# ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.799 at 1.07e+07 assign (resid 66 and name HA# ) (resid 67 and name HG2# ) 4.0 2.2 1.7 ! A.798 at 4.45e+06 assign (resid 66 and name HA# ) (resid 69 and name HB# ) 4.0 2.2 1.2 ! A.800 at 6.76e+06 assign (resid 66 and name HA# ) (resid 70 and name HG1 ) 4.0 2.2 1.0 ! A.1276 at 7.24e+06 ! I67 assign (resid 67 and name HG12 ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.841 at 2.18e+06 assign (resid 67 and name HD1# ) (resid 67 and name HB ) 4.0 2.2 1.5 ! A.779 at 1.77e+06 assign (resid 67 and name HG2# ) (resid 68 and name HB ) 4.0 2.2 1.5 ! A.895 at 2.48e+06 assign (resid 67 and name HG12 ) (resid 68 and name HA ) 4.0 2.2 1.0 ! A.855 at 2.57e+06 assign (resid 67 and name HG2# ) (resid 68 and name HG2# ) 3.0 1.2 1.0 ! A.761 at 1.69e+07 assign (resid 67 and name HG12 ) (resid 68 and name HN ) 4.0 2.2 1.0 ! B.240 at 2.71e+06 assign (resid 67 and name HA ) (resid 70 and name HE22 ) 4.0 2.2 1.5 ! B.255 at 2.41e+06 assign (resid 67 and name HD1# ) (resid 71 and name HB2 ) 4.0 2.2 0.8 ! A.161 at 3.72e+06 assign (resid 67 and name HD1# ) (resid 71 and name HB1 ) 4.0 2.2 1.2 ! A.162 at 4.10e+06 assign (resid 67 and name HG12 ) (resid 72 and name HN ) 3.0 1.2 1.8 ! A.840 at 3.76e+06 assign (resid 67 and name HD1# ) (resid 81 and name HA ) 3.0 1.2 0.8 ! A.594 at 4.28e+06 assign (resid 67 and name HG12 ) (resid 81 and name HA ) 4.0 2.2 1.5 ! A.843 at 1.59e+06 assign (resid 67 and name HD1# ) (resid 81 and name HG ) 4.0 2.2 1.5 ! A.783 at 2.18e+06 assign (resid 67 and name HD1# ) (resid 81 and name HD1# ) 3.0 1.2 1.2 ! A.771 at 2.49e+07 assign (resid 67 and name HB ) (resid 84 and name HE1 ) 4.0 2.2 1.0 ! A.70 at 2.28e+06 assign (resid 67 and name HD1# ) (resid 84 and name HB1 ) 3.0 1.2 1.8 ! A.177 at 4.19e+06 assign (resid 67 and name HD1# ) (resid 84 and name HB2 ) 3.0 1.2 1.0 ! A.175 at 4.16e+06 assign (resid 67 and name HG2# ) (resid 84 and name HD1 ) 4.0 2.2 1.5 ! A.766 at 2.84e+06 assign (resid 67 and name HG2# ) (resid 84 and name HE1 ) 4.0 2.2 1.6 ! A.764 at 3.26e+06 assign (resid 67 and name HD1# ) (resid 84 and name HD2 ) 4.0 2.2 1.5 ! A.767 at 2.81e+06 ! V68 assign (resid 68 and name HA ) (resid 68 and name HG1# ) 4.0 2.2 1.5 ! A.891 at 2.03e+06 assign (resid 68 and name HG1# ) (resid 68 and name HN ) 3.0 1.2 1.3 ! A.141 at 5.07e+06 assign (resid 68 and name HB ) (resid 69 and name HA ) 3.0 1.2 1.5 ! A.870 at 2.86e+07 assign (resid 68 and name HG1# ) (resid 69 and name HA ) 4.0 2.2 1.0 ! A.864 at 1.13e+07 assign (resid 68 and name HA ) (resid 71 and name HB2 ) 3.0 1.2 1.5 !assign (resid 68 and name HA ) (resid 71 and name HB1 ) 2.5 0.7 0.5 assign (resid 68 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.890 at 2.31e+06 assign (resid 68 and name HG1# ) (resid 72 and name HB2 ) 3.0 1.2 0.7 ! A.132 at 1.82e+07 assign (resid 68 and name HG1# ) (resid 72 and name HB1 ) 3.0 1.2 0.8 ! A.136 at 9.22e+06 assign (resid 68 and name HB ) (resid 72 and name HB1 ) 4.0 2.2 1.0 ! A.894 at 2.68e+06 ! E69 assign (resid 69 and name HA ) (resid 69 and name HG1 ) 3.0 1.2 0.5 ! A.871 at 1.43e+07 assign (resid 69 and name HA ) (resid 69 and name HG2 ) 3.0 1.2 0.5 ! A.868 at 1.89e+07 assign (resid 69 and name HA ) (resid 70 and name HG2 ) 3.0 1.2 1.8 ! A.1310 at 7.55e+06 assign (resid 69 and name HA ) (resid 73 and name HB ) 3.0 1.2 0.3 ! A.917 at 8.08e+06 ! Q70 assign (resid 70 and name HA ) (resid 70 and name HG2 ) 2.5 0.7 0.2 ! A.897 at 1.87e+07 assign (resid 70 and name HG# ) (resid 70 and name HE21 ) 2.5 0.7 0.7 ! B.257 at 1.14e+07 assign (resid 70 and name HB1 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.899 at 3.01e+06 assign (resid 70 and name HB2 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.900 at 3.00e+06 assign (resid 70 and name HG# ) (resid 70 and name HE22 ) 3.0 1.2 0.8 ! B.256 at 8.29e+06 assign (resid 70 and name HA ) (resid 70 and name HE21 ) 4.0 2.2 1.0 ! B.258 at 2.47e+06 assign (resid 70 and name HA ) (resid 70 and name HE22 ) 4.0 2.2 1.5 ! B.259 at 3.24e+06 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 0.8 ! A.1114 at 1.70e+07 assign (resid 70 and name HG# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.1394 at 3.31e+06 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.901 at 2.45e+06 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.903 at 2.26e+06 assign (resid 70 and name HA ) (resid 73 and name HN ) 3.0 1.2 1.3 ! A.1110 at 5.27e+06 assign (resid 70 and name HG2 ) (resid 73 and name HG2# ) 3.0 1.2 1.8 ! A.1149 at 7.88e+06 assign (resid 70 and name HA ) (resid 74 and name HB2 ) 3.0 1.2 0.7 ! A.898 at 2.04e+07 ! C71 assign (resid 71 and name HB1 ) (resid 81 and name HD1# ) 3.0 1.2 1.5 ! A.978 at 5.38e+06 ! C72 assign (resid 72 and name HA ) (resid 73 and name HB ) 4.0 2.2 1.5 ! A.919 at 3.82e+06 assign (resid 72 and name HN ) (resid 73 and name HA ) 4.0 2.2 1.4 ! A.929 at 1.97e+06 ! T73 assign (resid 73 and name HB ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.922 at 3.12e+06 assign (resid 73 and name HA ) (resid 73 and name HG2# ) 3.0 1.2 0.7 ! A.724 at 1.03e+07 assign (resid 73 and name HG2# ) (resid 73 and name HN ) 3.0 1.2 1.0 ! A.932 at 4.19e+06 assign (resid 73 and name HB ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.923 at 2.76e+06 assign (resid 73 and name HG2# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.933 at 3.08e+06 ! S74 assign (resid 74 and name HB2 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.925 at 3.25e+06 assign (resid 74 and name HB1 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.957 at 1.27e+06 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.0 1.2 1.3 ! A.956 at 5.71e+06 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 3.0 1.2 1.0 ! A.924 at 5.71e+06 assign (resid 74 and name HA ) (resid 75 and name HD1# ) 4.0 2.2 2.0 ! A.946 at 2.09e+06 ! I75 assign (resid 75 and name HA ) (resid 75 and name HG2# ) 3.0 1.2 0.8 ! A.937 at 3.73e+06 assign (resid 75 and name HB ) (resid 75 and name HD1# ) 3.0 1.2 0.8 ! A.207 at 6.69e+06 assign (resid 75 and name HB ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.204 at 5.81e+06 assign (resid 75 and name HG11 ) (resid 75 and name HN ) 3.0 1.2 1.0 ! A.839 at 3.04e+06 assign (resid 75 and name HG2# ) (resid 75 and name HN ) 3.0 1.2 1.8 ! A.797 at 3.77e+06 assign (resid 75 and name HD1# ) (resid 75 and name HN ) 4.0 2.2 2.0 ! A.951 at 2.24e+06 assign (resid 75 and name HD1# ) (resid 75 and name HA ) 4.0 2.2 2.5 ! A.944 at 2.15e+06 assign (resid 75 and name HA ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.938 at 2.55e+06 assign (resid 75 and name HG2# ) (resid 76 and name HN ) 3.0 1.2 1.0 ! A.940 at 4.70e+06 ! C76 assign (resid 76 and name HB# ) (resid 81 and name HA ) 4.0 2.2 1.5 ! A.598 at 2.89e+06 assign (resid 76 and name HB# ) (resid 81 and name HG ) 4.0 2.2 1.5 ! A.844 at 9.39e+06 ! S77 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.952 at 2.36e+06 assign (resid 77 and name HB2 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.955 at 2.57e+06 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 3.0 1.2 0.8 ! A.954 at 2.36e+06 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 3.0 1.2 1.3 ! A.953 at 2.57e+06 assign (resid 77 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.5 ! A.921 at 4.27e+06 assign (resid 77 and name HB2 ) (resid 79 and name HD2 ) 3.0 1.2 0.3 ! A.820 at 9.35e+06 assign (resid 77 and name HN ) (resid 80 and name HB2 ) 4.0 2.2 1.0 ! A.996 at 2.56e+06 assign (resid 77 and name HN ) (resid 80 and name HB1 ) 4.0 2.2 1.0 ! A.995 at 1.53e+06 !assign (resid 77 and name HB1 ) (resid 82 and name HG1 ) 4.0 2.2 2.5 ! A.450 at 5.98e+06 ! L78 assign (resid 78 and name HA ) (resid 78 and name HD2# ) 3.0 1.2 1.4 ! A.964 at 1.01e+07 assign (resid 78 and name HA ) (resid 78 and name HD1# ) 2.5 0.7 0.7 ! A.963 at 1.76e+07 assign (resid 78 and name HB1 ) (resid 78 and name HD1# ) 3.0 1.2 1.0 ! A.1350 at 1.94e+07 assign (resid 78 and name HB2 ) (resid 78 and name HD2# ) 2.5 0.7 0.7 ! A.703 at 1.48e+07 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.700 at 2.86e+06 assign (resid 78 and name HB1 ) (resid 78 and name HD2# ) 3.0 1.2 0.8 ! A.704 at 1.74e+07 assign (resid 78 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.699 at 2.97e+06 assign (resid 78 and name HG ) (resid 78 and name HA ) 4.0 2.2 1.0 ! A.842 at 2.89e+06 assign (resid 78 and name HG ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.965 at 2.42e+06 assign (resid 78 and name HD2# ) (resid 78 and name HN ) 4.0 2.2 2.0 ! A.327 at 2.38e+06 assign (resid 78 and name HB1 ) (resid 79 and name HA ) 3.0 1.2 1.0 ! A.679 at 3.40e+06 assign (resid 78 and name HG ) (resid 79 and name HA ) 4.0 2.2 1.8 ! A.680 at 3.16e+06 assign (resid 78 and name HD2# ) (resid 79 and name HA ) 4.0 2.2 2.5 ! A.678 at 3.12e+06 assign (resid 78 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.657 at 2.10e+06 assign (resid 78 and name HB1 ) (resid 79 and name HN ) 3.0 1.2 0.2 ! A.701 at 3.08e+06 assign (resid 78 and name HB2 ) (resid 79 and name HN ) 3.0 1.2 1.0 ! A.702 at 2.71e+06 assign (resid 78 and name HD2# ) (resid 79 and name HE1 ) 3.0 1.2 1.5 ! A.329 at 4.31e+06 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.5 0.7 0.7 ! B.31 at 2.50e+06 assign (resid 78 and name HD2# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! B.27 at 2.45e+06 assign (resid 78 and name HA ) (resid 81 and name HB2 ) 2.5 0.7 0.2 ! A.650 at 1.32e+07 assign (resid 78 and name HA ) (resid 81 and name HB1 ) 3.0 1.2 0.8 ! A.647 at 4.81e+06 assign (resid 78 and name HA ) (resid 81 and name HD2# ) 3.0 1.2 1.4 ! A.651 at 1.96e+07 assign (resid 78 and name HA ) (resid 81 and name HN ) 3.0 1.2 1.0 ! A.655 at 2.63e+06 !assign (resid 78 and name HA ) (resid 81 and name HG ) 4.0 2.2 1.2 ! A.845 at 2.85e+06 assign (resid 78 and name HD1# ) (resid 81 and name HN ) 4.0 2.2 2.8 ! A.982 at 2.88e+06 assign (resid 78 and name HD1# ) (resid 81 and name HB1 ) 4.0 2.2 1.5 ! A.971 at 3.36e+06 assign (resid 78 and name HD1# ) (resid 81 and name HG1 ) 4.0 2.2 1.0 ! A.68 at 3.90e+06 assign (resid 78 and name HD1# ) (resid 82 and name HG1 ) 4.0 2.2 1.5 ! A.999 at 7.38e+06 assign (resid 78 and name HG ) (resid 82 and name HG1 ) 3.0 1.2 0.5 ! A.1012 at 3.05e+06 ! Y79 assign (resid 79 and name HA ) (resid 79 and name HD1 ) 3.0 1.2 0.3 ! A.670 at 7.21e+06 assign (resid 79 and name HD1 ) (resid 79 and name HB1 ) 3.0 1.2 0.3 ! A.821 at 5.41e+06 assign (resid 79 and name HD2 ) (resid 79 and name HB2 ) 3.0 1.2 0.3 ! A.822 at 5.00e+06 assign (resid 79 and name HD2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.505 at 2.97e+06 assign (resid 79 and name HB1 ) (resid 79 and name HD2 ) 3.0 1.2 0.3 ! A.906 at 8.34e+06 assign (resid 79 and name HB2 ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.908 at 7.05e+06 assign (resid 79 and name HB1 ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.909 at 6.70e+06 assign (resid 79 and name HB2 ) (resid 79 and name HD1 ) 3.0 1.2 0.6 ! A.907 at 8.61e+06 assign (resid 79 and name HA ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.672 at 2.37e+06 assign (resid 79 and name HD2 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.506 at 2.30e+06 assign (resid 79 and name HB2 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.911 at 2.67e+06 assign (resid 79 and name HB1 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.910 at 2.66e+06 assign (resid 79 and name HA ) (resid 82 and name HB1 ) 3.0 1.2 0.8 ! A.677 at 8.64e+06 assign (resid 79 and name HA ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.673 at 3.03e+06 assign (resid 79 and name HA ) (resid 82 and name HG1 ) 4.0 2.2 1.0 ! A.681 at 2.35e+06 ! Q80 assign (resid 80 and name HA ) (resid 80 and name HG1 ) 3.0 1.2 0.5 ! A.662 at 6.04e+06 assign (resid 80 and name HA ) (resid 80 and name HG2 ) 3.0 1.2 0.5 ! A.661 at 8.98e+06 assign (resid 80 and name HG1 ) (resid 80 and name HE21 ) 3.0 1.2 0.5 ! A.1387 at 4.37e+06 assign (resid 80 and name HG1 ) (resid 80 and name HN ) 3.0 1.2 1.0 ! A.1384 at 5.43e+06 assign (resid 80 and name HG2 ) (resid 80 and name HE21 ) 3.0 1.2 0.5 ! A.1388 at 5.45e+06 assign (resid 80 and name HG2 ) (resid 80 and name HN ) 3.0 1.2 0.8 ! A.1383 at 6.05e+06 assign (resid 80 and name HG1 ) (resid 80 and name HE22 ) 4.0 2.2 1.0 ! A.1386 at 2.22e+06 assign (resid 80 and name HG2 ) (resid 80 and name HE22 ) 4.0 2.2 1.0 ! A.1385 at 2.48e+06 assign (resid 80 and name HB2 ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.992 at 5.98e+06 assign (resid 80 and name HB1 ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.991 at 4.08e+06 assign (resid 80 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.659 at 2.64e+06 assign (resid 80 and name HB2 ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.994 at 6.07e+06 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.993 at 2.05e+06 assign (resid 80 and name HB1 ) (resid 81 and name HD1# ) 3.0 1.2 1.0 ! A.977 at 3.69e+06 assign (resid 80 and name HN ) (resid 81 and name HN ) 3.0 1.2 0.5 ! B.66 at 3.75e+06 assign (resid 80 and name HA ) (resid 83 and name HB2 ) 4.0 2.2 1.0 ! A.664 at 2.26e+06 assign (resid 80 and name HG2 ) (resid 84 and name HE2 ) 4.0 2.2 1.2 ! A.71 at 2.22e+06 ! L81 assign (resid 81 and name HA ) (resid 81 and name HD1# ) 2.5 0.7 0.7 ! A.595 at 1.71e+07 assign (resid 81 and name HB2 ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.58 at 3.80e+06 assign (resid 81 and name HB2 ) (resid 81 and name HD2# ) 2.5 0.7 0.7 ! A.52 at 1.32e+07 assign (resid 81 and name HB1 ) (resid 81 and name HD2# ) 2.5 0.7 0.7 ! A.51 at 1.32e+07 assign (resid 81 and name HB1 ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.57 at 5.56e+06 assign (resid 81 and name HG ) (resid 81 and name HN ) 3.0 1.2 1.5 ! A.824 at 4.93e+06 assign (resid 81 and name HD2# ) (resid 81 and name HA ) 3.0 1.2 1.3 ! A.861 at 5.92e+06 assign (resid 81 and name HD2# ) (resid 81 and name HN ) 3.0 1.2 1.8 ! A.857 at 3.97e+06 assign (resid 81 and name HD1# ) (resid 81 and name HB2 ) 2.5 0.7 0.7 ! A.974 at 2.47e+07 assign (resid 81 and name HD1# ) (resid 81 and name HB1 ) 3.0 1.2 1.0 ! A.976 at 1.09e+07 assign (resid 81 and name HD1# ) (resid 81 and name HN ) 3.0 1.2 1.0 ! A.983 at 5.35e+06 assign (resid 81 and name HA ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.601 at 7.08e+06 !assign (resid 81 and name HA ) (resid 82 and name HB1 ) 2.5 0.7 0.2 ! A.597 at 1.65e+07 assign (resid 81 and name HB1 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.60 at 2.87e+06 assign (resid 81 and name HB1 ) (resid 82 and name HG1 ) 3.0 1.2 1.5 ! A.1013 at 2.61e+07 assign (resid 81 and name HG ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.826 at 2.42e+06 assign (resid 81 and name HN ) (resid 82 and name HG1 ) 4.0 2.2 1.0 ! B.72 at 3.29e+06 assign (resid 81 and name HN ) (resid 82 and name HN ) 3.0 1.2 0.5 ! B.65 at 4.32e+06 assign (resid 81 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.7 ! A.610 at 1.20e+07 assign (resid 81 and name HA ) (resid 84 and name HD2 ) 2.5 0.7 0.2 ! A.599 at 1.20e+07 assign (resid 81 and name HA ) (resid 84 and name HE2 ) 3.0 1.2 0.3 ! A.588 at 4.12e+06 assign (resid 81 and name HD1# ) (resid 84 and name HD2 ) 4.0 2.2 1.0 ! A.986 at 5.29e+06 assign (resid 81 and name HD1# ) (resid 84 and name HE2 ) 3.0 1.2 1.7 ! A.980 at 4.17e+06 ! E82 assign (resid 82 and name HA ) (resid 82 and name HG2 ) 2.5 0.7 0.2 ! A.1008 at 3.24e+07 assign (resid 82 and name HA ) (resid 82 and name HG1 ) 3.0 1.2 0.2 ! A.1003 at 2.32e+07 assign (resid 82 and name HG2 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.453 at 2.92e+06 assign (resid 82 and name HG1 ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.454 at 5.51e+06 assign (resid 82 and name HB1 ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.1010 at 6.57e+06 assign (resid 82 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1009 at 2.03e+06 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.4 ! A.1002 at 1.18e+07 assign (resid 82 and name HB1 ) (resid 83 and name HA ) 3.0 1.2 1.8 ! A.20 at 4.48e+06 assign (resid 82 and name HB1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! B.195 at 3.46e+06 assign (resid 82 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0 ! B.193 at 3.13e+06 assign (resid 82 and name HA ) (resid 84 and name HN ) 3.0 1.2 1.0 ! A.607 at 1.01e+07 assign (resid 82 and name HA ) (resid 85 and name HN ) 3.0 1.2 0.8 ! A.609 at 9.38e+06 assign (resid 82 and name HA ) (resid 85 and name HB2 ) 3.0 1.2 1.3 ! assign (resid 82 and name HA ) (resid 85 and name HB1 ) 4.0 2.2 0.6 ! A.1004 at 3.59e+06 ! N83 assign (resid 83 and name HB2 ) (resid 83 and name HD22 ) 4.0 2.2 1.0 ! A.1374 at 2.96e+06 assign (resid 83 and name HB2 ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.210 at 1.28e+07 assign (resid 83 and name HB1 ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.212 at 1.27e+07 assign (resid 83 and name HB1 ) (resid 83 and name HD22 ) 3.0 1.2 0.5 ! A.211 at 1.27e+07 assign (resid 83 and name HB2 ) (resid 83 and name HD21 ) 3.0 1.2 0.3 ! B.269 at 4.00e+06 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.16 at 5.97e+06 assign (resid 83 and name HB2 ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.215 at 5.08e+06 assign (resid 83 and name HB1 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.214 at 3.29e+06 assign (resid 83 and name HB2 ) (resid 84 and name HD2 ) 3.0 1.2 1.2 ! A.213 at 1.28e+07 assign (resid 83 and name HB1 ) (resid 84 and name HD2 ) 3.0 1.2 0.5 ! A.209 at 1.27e+07 assign (resid 83 and name HN ) (resid 84 and name HN ) 2.5 0.7 0.4 ! B.110 at 1.46e+07 assign (resid 83 and name HA ) (resid 85 and name HN ) 3.0 1.2 1.0 ! B.197 at 4.61e+06 ! Y84 assign (resid 84 and name HA ) (resid 84 and name HD1 ) 2.5 0.7 0.2 ! A.665 at 1.17e+07 assign (resid 84 and name HA ) (resid 84 and name HE1 ) 4.0 2.2 1.0 ! A.667 at 2.78e+06 assign (resid 84 and name HB1 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.1041 at 3.30e+06 assign (resid 84 and name HB2 ) (resid 84 and name HD1 ) 3.0 1.2 0.7 ! A.182 at 5.15e+06 assign (resid 84 and name HB2 ) (resid 84 and name HD2 ) 3.0 1.2 0.3 ! A.181 at 5.15e+06 assign (resid 84 and name HB1 ) (resid 84 and name HD2 ) 3.0 1.2 0.5 ! A.1042 at 4.91e+06 assign (resid 84 and name HB1 ) (resid 84 and name HD1 ) 3.0 1.2 0.3 ! A.180 at 4.91e+06 assign (resid 84 and name HB2 ) (resid 84 and name HN ) 3.0 1.2 1.0 ! A.184 at 3.89e+06 assign (resid 84 and name HD2 ) (resid 84 and name HN ) 2.5 0.7 0.4 ! B.109 at 1.46e+07 assign (resid 84 and name HN ) (resid 85 and name HN ) 2.5 0.7 0.4 ! B.111 at 1.45e+07 ! C85 assign (resid 85 and name HB1 ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.570 at 4.97e+06 assign (resid 85 and name HB2 ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.571 at 3.36e+06 assign (resid 85 and name HB1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.572 at 3.10e+06 assign (resid 85 and name HB2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.573 at 3.22e+06 assign (resid 85 and name HA ) (resid 86 and name HN ) 2.5 0.7 0.4 ! B.228 at 1.23e+07 ! N86 assign (resid 86 and name HB2 ) (resid 86 and name HN ) 3.0 1.2 0.5 ! A.217 at 5.79e+06 assign (resid 86 and name HB1 ) (resid 86 and name HD22 ) 4.0 2.2 1.0 ! A.1375 at 2.93e+06 assign (resid 86 and name HB1 ) (resid 86 and name HD21 ) 3.0 1.2 0.3 ! A.1377 at 6.50e+06 assign (resid 86 and name HB1 ) (resid 86 and name HN ) 3.0 1.2 0.5 ! A.216 at 4.95e+06 assign (resid 86 and name HB2 ) (resid 86 and name HD21 ) 3.0 1.2 0.3 ! A.1378 at 6.07e+06 assign (resid 86 and name HB2 ) (resid 86 and name HD22 ) 3.0 1.2 0.5 ! A.1376 at 3.88e+06
Contact the webmaster for help, if required. Thursday, May 2, 2024 1:08:25 PM GMT (wattos1)