NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
554182 |
2ly8   |
18713 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: cnoe9allC.PCK ! Date: Tue Dec 14 20:36:35 EST 2010 ! Path: /home/fengh/My_xplor/sC4 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A cnoe9allC.PCK 1306 476 188 384 258 ! Total 1306 476 188 384 258 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! L1 ! I2 assign (resid 2 and name HG11 ) (resid 2 and name HA ) 4.5 2.0 2.0 ! A.3115 at 3.34e+06 assign (resid 2 and name HG12 ) (resid 2 and name HA ) 4.0 1.5 1.5 ! A.3121 at 5.11e+06 assign (resid 2 and name HA ) (resid 2 and name HG2# ) 2.7 0.5 1.2 ! A.3666 at 1.16e+07 assign (resid 2 and name HA ) (resid 2 and name HD1# ) 3.5 1.0 1.2 ! A.3667 at 7.65e+06 ! S3 ! K4 assign (resid 4 and name HA ) (resid 4 and name HD# ) 2.7 0.5 1.2 ! A.1081 at 1.06e+07 assign (resid 4 and name HE# ) (resid 4 and name HB1 ) 4.0 1.5 2.0 ! A.970 at 3.99e+06 assign (resid 4 and name HE# ) (resid 4 and name HB2 ) 4.0 1.5 2.0 ! A.1028 at 5.07e+06 assign (resid 4 and name HB1 ) (resid 4 and name HD# ) 2.7 0.5 1.2 ! A.1083 at 1.18e+07 assign (resid 4 and name HG2 ) (resid 4 and name HE# ) 3.5 1.0 1.2 ! A.601 at 9.07e+06 assign (resid 4 and name HG1 ) (resid 4 and name HA ) 3.5 1.0 0.7 ! A.159 at 8.36e+06 assign (resid 4 and name HA ) (resid 4 and name HG2 ) 4.5 2.0 2.0 ! A.1265 at 2.89e+06 assign (resid 4 and name HE# ) (resid 4 and name HG1 ) 2.7 0.5 1.2 ! A.1266 at 2.82e+07 assign (resid 4 and name HB1 ) (resid 9 and name HD2 ) 4.5 2.0 2.0 ! A.588 at 2.11e+06 ! I5 assign (resid 5 and name HB ) (resid 5 and name HD1# ) 3.5 1.0 1.2 ! A.2919 at 8.22e+06 assign (resid 5 and name HD1# ) (resid 32 and name HG2# ) 2.7 0.5 1.7 ! A.1579 at 1.29e+07 ! P6 assign (resid 6 and name HD1 ) (resid 6 and name HA ) 4.0 1.5 1.5 ! A.2833 at 3.84e+06 assign (resid 6 and name HD2 ) (resid 6 and name HA ) 4.0 1.5 1.5 ! A.2834 at 3.85e+06 assign (resid 6 and name HB2 ) (resid 10 and name HD1# ) 3.5 1.0 1.2 ! A.3228 at 6.64e+06 assign (resid 6 and name HB1 ) (resid 10 and name HD1# ) 4.0 1.5 2.0 ! A.3229 at 4.74e+06 ! F7 assign (resid 7 and name HB1 ) (resid 8 and name HB# ) 3.0 0.5 1.2 ! A.405 at 4.95e+07 assign (resid 7 and name HA ) (resid 10 and name HB2 ) 4.0 1.5 1.5 ! A.298 at 3.71e+06 assign (resid 7 and name HB# ) (resid 10 and name HD1# ) 4.0 1.5 2.5 ! A.3227 at 3.64e+06 assign (resid 7 and name HA ) (resid 10 and name HD1# ) 3.5 1.0 1.2 ! A.3230 at 6.92e+06 ! A8 assign (resid 8 and name HB# ) (resid 9 and name HG# ) 4.0 1.5 2.5 ! A.1309 at 5.34e+06 assign (resid 8 and name HB# ) (resid 9 and name HA ) 4.0 1.5 2.0 ! A.302 at 3.88e+06 assign (resid 8 and name HA ) (resid 11 and name HB ) 3.5 1.0 0.7 ! A.2797 at 8.98e+06 assign (resid 8 and name HA ) (resid 11 and name HG2# ) 4.5 2.0 2.5 ! A.3331 at 2.91e+06 assign (resid 8 and name HB# ) (resid 11 and name HB ) 4.0 1.5 2.0 ! A.861 at 4.92e+06 assign (resid 8 and name HA ) (resid 11 and name HG1# ) 4.5 2.0 2.5 ! A.2799 at 2.57e+06 assign (resid 8 and name HA ) (resid 32 and name HG2# ) 4.0 1.5 2.0 ! A.3655 at 3.78e+06 assign (resid 8 and name HA ) (resid 32 and name HG12 ) 4.5 1.5 1.5 ! A.334 at 3.75e+06 assign (resid 8 and name HA ) (resid 35 and name HG ) 4.5 2.0 2.0 ! A.926 at 2.89e+06 assign (resid 8 and name HA ) (resid 35 and name HB1 ) 4.0 1.5 1.5 ! A.772 at 3.72e+06 assign (resid 8 and name HA ) (resid 35 and name HB2 ) 4.5 2.0 2.0 ! A.392 at 3.06e+06 ! R9 assign (resid 9 and name HA ) (resid 9 and name HD1 ) 4.0 1.5 1.5 ! A.548 at 3.76e+06 assign (resid 9 and name HA ) (resid 9 and name HG# ) 3.5 1.0 1.2 ! A.2563 at 8.51e+06 assign (resid 9 and name HD1 ) (resid 9 and name HB1 ) 2.7 0.5 0.7 ! A.901 at 1.27e+07 assign (resid 9 and name HB1 ) (resid 9 and name HD2 ) 4.0 1.5 1.5 ! A.589 at 4.30e+06 assign (resid 9 and name HA ) (resid 9 and name HD2 ) 4.5 2.0 2.0 ! A.587 at 2.25e+06 assign (resid 9 and name HD1 ) (resid 9 and name HB2 ) 2.7 0.5 0.7 ! A.980 at 2.24e+07 assign (resid 9 and name HA ) (resid 10 and name HA ) 4.5 2.0 2.0 ! A.219 at 2.50e+06 assign (resid 9 and name HB2 ) (resid 10 and name HB2 ) 4.5 2.0 2.0 ! A.902 at 2.01e+06 assign (resid 9 and name HB1 ) (resid 10 and name HB2 ) 4.5 2.0 2.0 ! A.902 at 2.01e+06 assign (resid 9 and name HA ) (resid 12 and name HD# ) 4.0 1.5 2.0 ! A.2564 at 5.14e+06 assign (resid 9 and name HA ) (resid 12 and name HB# ) 4.0 1.5 2.0 ! A.2565 at 4.91e+06 assign (resid 9 and name HA ) (resid 12 and name HE# ) 4.0 1.5 2.0 ! A.297 at 4.94e+06 assign (resid 9 and name HA ) (resid 12 and name HD2 ) 4.0 1.5 1.5 ! A.301 at 3.70e+06 assign (resid 9 and name HA ) (resid 12 and name HB1 ) 4.0 1.5 1.5 ! A.292 at 4.62e+06 assign (resid 9 and name HA ) (resid 12 and name HB2 ) 4.0 1.5 1.5 ! A.293 at 5.09e+06 assign (resid 9 and name HB1 ) (resid 13 and name HG2 ) 4.5 2.0 2.0 ! A.903 at 2.06e+06 assign (resid 9 and name HB2 ) (resid 13 and name HB2 ) 4.0 1.5 1.5 ! A.865 at 3.65e+06 ! L10 assign (resid 10 and name HA ) (resid 10 and name HG ) 2.7 0.5 0.7 ! A.1314 at 1.13e+07 assign (resid 10 and name HB1 ) (resid 10 and name HD2# ) 3.5 1.0 1.2 ! A.1663 at 7.06e+06 assign (resid 10 and name HB1 ) (resid 10 and name HD1# ) 3.5 1.0 1.2 ! A.2876 at 7.04e+06 assign (resid 10 and name HB2 ) (resid 10 and name HD1# ) 3.5 1.0 1.2 ! A.2877 at 7.72e+06 assign (resid 10 and name HB2 ) (resid 10 and name HD2# ) 2.7 0.5 1.2 ! A.2878 at 1.03e+07 assign (resid 10 and name HD1# ) (resid 10 and name HA ) 2.7 0.5 1.2 ! A.200 at 1.10e+07 assign (resid 10 and name HD2# ) (resid 10 and name HA ) 3.5 1.0 1.2 ! A.3282 at 7.21e+06 assign (resid 10 and name HA ) (resid 12 and name HB2 ) 4.0 1.5 1.5 ! A.222 at 4.98e+06 assign (resid 10 and name HA ) (resid 13 and name HB2 ) 4.5 2.0 2.0 ! A.863 at 2.05e+06 assign (resid 10 and name HA ) (resid 13 and name HB1 ) 4.0 1.5 1.5 ! A.3077 at 5.61e+06 assign (resid 10 and name HD2# ) (resid 13 and name HB1 ) 4.5 2.0 2.5 ! A.1665 at 3.32e+06 assign (resid 10 and name HG ) (resid 13 and name HB2 ) 4.5 2.0 2.0 ! A.1317 at 2.01e+06 ! V11 assign (resid 11 and name HG2# ) (resid 11 and name HA ) 4.0 1.5 2.0 ! A.3330 at 5.35e+06 assign (resid 11 and name HA ) (resid 11 and name HG1# ) 3.5 1.0 1.2 ! A.3530 at 8.13e+06 assign (resid 11 and name HA ) (resid 14 and name HG2# ) 4.0 1.5 2.0 ! A.3344 at 3.58e+06 assign (resid 11 and name HA ) (resid 14 and name HG1# ) 4.5 2.0 2.5 ! A.3393 at 3.27e+06 assign (resid 11 and name HG2# ) (resid 32 and name HA ) 4.5 2.0 2.5 ! A.3640 at 3.50e+06 assign (resid 11 and name HG2# ) (resid 35 and name HB1 ) 4.5 2.0 2.5 ! A.1668 at 2.80e+06 assign (resid 11 and name HB ) (resid 35 and name HA ) 4.5 1.5 1.5 ! A.844 at 3.72e+06 assign (resid 11 and name HG1# ) (resid 35 and name HG ) 4.5 2.0 2.5 ! A.1615 at 3.08e+06 assign (resid 11 and name HG1# ) (resid 35 and name HB1 ) 4.5 2.0 2.5 ! A.780 at 2.18e+06 assign (resid 11 and name HG2# ) (resid 36 and name HA ) 4.0 1.5 2.0 ! A.3332 at 3.82e+06 assign (resid 11 and name HA ) (resid 81 and name HD1# ) 3.5 1.0 1.2 ! A.3174 at 7.52e+06 ! K12 assign (resid 12 and name HA ) (resid 12 and name HE# ) 4.5 2.0 2.5 ! A.577 at 2.42e+06 assign (resid 12 and name HA ) (resid 12 and name HD1 ) 4.0 1.5 1.5 ! A.2560 at 5.14e+06 assign (resid 12 and name HA ) (resid 12 and name HD2 ) 4.0 1.5 1.5 ! A.2561 at 4.63e+06 assign (resid 12 and name HA ) (resid 12 and name HG# ) 2.7 0.5 1.2 ! A.2562 at 1.46e+07 assign (resid 12 and name HD2 ) (resid 12 and name HB1 ) 4.0 1.5 1.5 ! A.891 at 4.36e+06 assign (resid 12 and name HE# ) (resid 12 and name HG# ) 2.7 0.5 1.7 ! A.1329 at 2.70e+07 assign (resid 12 and name HG# ) (resid 13 and name HA ) 4.5 2.0 2.5 ! A.862 at 3.27e+06 assign (resid 12 and name HB1 ) (resid 13 and name HG2 ) 3.5 1.0 0.7 ! A.708 at 8.07e+06 assign (resid 12 and name HB1 ) (resid 13 and name HA ) 4.0 1.5 1.5 ! A.292 at 4.62e+06 assign (resid 12 and name HB2 ) (resid 13 and name HA ) 4.0 1.5 1.5 ! A.293 at 5.09e+06 assign (resid 12 and name HA ) (resid 16 and name HA ) 4.0 1.5 1.5 ! A.80 at 4.05e+06 assign (resid 12 and name HE# ) (resid 27 and name HB1 ) 2.7 0.5 1.2 ! A.556 at 2.24e+07 assign (resid 12 and name HD2 ) (resid 29 and name HA ) 4.5 2.0 2.0 ! A.3623 at 7.88e+06 assign (resid 12 and name HE# ) (resid 32 and name HD1# ) 2.7 0.5 1.7 ! A.2793 at 1.52e+07 assign (resid 12 and name HE# ) (resid 32 and name HG11 ) 3.5 1.0 1.2 ! A.581 at 8.21e+06 assign (resid 12 and name HE# ) (resid 32 and name HG12 ) 4.5 2.0 2.5 ! A.582 at 3.37e+06 assign (resid 12 and name HE# ) (resid 32 and name HA ) 4.5 2.0 2.5 ! A.3631 at 2.37e+06 assign (resid 12 and name HE# ) (resid 32 and name HG2# ) 4.0 1.5 2.5 ! A.3657 at 4.71e+06 assign (resid 12 and name HA ) (resid 35 and name HD1# ) 4.5 2.0 2.5 ! A.1610 at 2.05e+06 assign (resid 12 and name HA ) (resid 35 and name HD2# ) 4.5 2.0 2.5 ! A.1677 at 2.42e+06 assign (resid 12 and name HG# ) (resid 35 and name HG ) 4.5 2.0 2.5 ! A.1333 at 2.45e+06 assign (resid 12 and name HD1 ) (resid 35 and name HG ) 4.5 1.5 2.5 ! A.3154 at 4.18e+06 assign (resid 12 and name HG# ) (resid 35 and name HD2# ) 2.7 0.5 1.7 ! A.1683 at 9.51e+06 assign (resid 12 and name HD# ) (resid 35 and name HD2# ) 3.5 1.0 1.7 ! A.3296 at 8.86e+06 ! E13 assign (resid 13 and name HA ) (resid 13 and name HG1 ) 2.7 0.5 0.7 ! A.678 at 1.33e+07 assign (resid 13 and name HG2 ) (resid 13 and name HA ) 4.5 2.0 2.0 ! A.291 at 2.78e+06 assign (resid 13 and name HB1 ) (resid 14 and name HG2# ) 3.5 1.0 1.2 ! A.3334 at 7.51e+06 assign (resid 13 and name HA ) (resid 16 and name HB1 ) 3.5 1.0 0.7 ! A.566 at 8.86e+06 assign (resid 13 and name HA ) (resid 16 and name HA ) 4.5 2.0 2.0 ! A.289 at 2.19e+06 assign (resid 13 and name HA ) (resid 16 and name HB2 ) 4.0 1.5 1.5 ! A.290 at 4.77e+06 assign (resid 13 and name HG1 ) (resid 16 and name HB2 ) 4.5 2.0 2.0 ! A.679 at 2.09e+06 ! V14 assign (resid 14 and name HG2# ) (resid 14 and name HA ) 2.7 0.5 1.2 ! A.3342 at 2.13e+07 assign (resid 14 and name HG1# ) (resid 14 and name HA ) 2.7 0.5 1.2 ! A.3390 at 2.01e+07 assign (resid 14 and name HG2# ) (resid 15 and name HA ) 4.0 0.5 1.2 ! A.3343 at 1.46e+07 assign (resid 14 and name HG1# ) (resid 15 and name HA ) 4.5 2.0 2.5 ! A.3392 at 2.31e+06 assign (resid 14 and name HA ) (resid 17 and name HG1 ) 4.0 1.5 1.5 ! A.2946 at 4.04e+06 assign (resid 14 and name HA ) (resid 17 and name HG2 ) 4.5 2.0 2.0 ! A.2953 at 1.98e+06 assign (resid 14 and name HG2# ) (resid 17 and name HB2 ) 3.5 1.0 1.2 ! A.3332 at 8.15e+06 assign (resid 14 and name HG2# ) (resid 17 and name HG2 ) 4.0 1.5 2.0 ! A.3333 at 4.62e+06 assign (resid 14 and name HG2# ) (resid 17 and name HG1 ) 3.5 1.0 1.2 ! A.3345 at 7.11e+06 assign (resid 14 and name HG1# ) (resid 17 and name HG1 ) 4.0 1.5 2.0 ! A.691 at 5.68e+06 assign (resid 14 and name HA ) (resid 17 and name HG# ) 4.0 1.5 2.0 ! A.3555 at 4.08e+06 assign (resid 14 and name HA ) (resid 17 and name HB1 ) 4.0 1.5 1.5 ! A.3557 at 3.91e+06 assign (resid 14 and name HG2# ) (resid 18 and name HE# ) 2.7 0.5 1.7 ! A.3340 at 1.27e+07 assign (resid 14 and name HG2# ) (resid 18 and name HD# ) 4.0 1.5 2.5 ! A.3341 at 5.98e+06 assign (resid 14 and name HG1# ) (resid 35 and name HD2# ) 4.5 1.0 1.7 ! A.3298 at 1.11e+07 assign (resid 14 and name HG2# ) (resid 78 and name HD# ) 3.5 1.0 1.7 ! A.3336 at 8.82e+06 assign (resid 14 and name HG1# ) (resid 78 and name HE2 ) 4.0 1.5 2.0 ! A.3383 at 4.85e+06 assign (resid 14 and name HG1# ) (resid 78 and name HD# ) 2.7 0.5 1.7 ! A.3387 at 9.76e+06 assign (resid 14 and name HG1# ) (resid 78 and name HG# ) 2.7 0.5 1.7 ! A.3388 at 1.17e+07 assign (resid 14 and name HG1# ) (resid 78 and name HA ) 3.5 1.0 1.2 ! A.3689 at 7.22e+06 assign (resid 14 and name HG1# ) (resid 78 and name HE1 ) 4.0 1.5 2.0 ! A.3394 at 3.85e+06 assign (resid 14 and name HG1# ) (resid 81 and name HB2 ) 4.5 2.0 2.5 ! A.1446 at 2.90e+06 assign (resid 14 and name HG2# ) (resid 81 and name HD1# ) 2.7 0.5 1.7 ! A.3338 at 2.00e+07 assign (resid 14 and name HG1# ) (resid 81 and name HD1# ) 4.0 1.5 2.5 ! A.1448 at 5.18e+06 ! T15 assign (resid 15 and name HA ) (resid 15 and name HG2# ) 3.5 1.0 1.2 ! A.3526 at 8.65e+06 assign (resid 15 and name HG2# ) (resid 35 and name HD2# ) 4.5 1.5 2.5 ! A.1687 at 5.41e+06 assign (resid 15 and name HA ) (resid 85 and name HD1# ) 4.0 1.5 2.0 ! A.3525 at 5.43e+06 assign (resid 15 and name HA ) (resid 85 and name HG2# ) 4.5 2.0 2.5 ! A.3527 at 2.87e+06 assign (resid 15 and name HG2# ) (resid 85 and name HD1# ) 4.0 1.5 2.5 ! A.3691 at 6.43e+06 ! D16 assign (resid 16 and name HB2 ) (resid 17 and name HG1 ) 4.5 2.0 2.0 ! A.679 at 2.09e+06 assign (resid 16 and name HA ) (resid 19 and name HG2# ) 4.5 2.0 2.5 ! A.1357 at 3.28e+06 ! E17 assign (resid 17 and name HG1 ) (resid 17 and name HA ) 4.0 1.5 1.5 ! A.2945 at 6.42e+06 assign (resid 17 and name HG2 ) (resid 17 and name HA ) 4.0 1.5 1.5 ! A.2949 at 6.11e+06 assign (resid 17 and name HA ) (resid 20 and name HG2# ) 4.0 1.5 2.0 ! A.1385 at 5.31e+06 assign (resid 17 and name HA ) (resid 20 and name HA ) 4.5 2.0 2.0 ! A.186 at 3.20e+06 ! F18 assign (resid 18 and name HA ) (resid 18 and name HD# ) 4.5 2.0 2.5 ! A.2505 at 2.93e+06 assign (resid 18 and name HE# ) (resid 82 and name HA ) 4.0 1.0 1.2 ! A.2509 at 6.67e+06 assign (resid 18 and name HD2 ) (resid 85 and name HG2# ) 4.5 2.0 2.5 ! A.3662 at 2.26e+06 assign (resid 18 and name HD2 ) (resid 85 and name HD1# ) 4.5 2.0 2.5 ! A.3703 at 2.09e+06 assign (resid 18 and name HE2 ) (resid 85 and name HD1# ) 4.5 2.0 2.5 ! A.3705 at 2.16e+06 ! T19 assign (resid 19 and name HG2# ) (resid 19 and name HA ) 2.7 0.5 1.2 ! A.87 at 1.47e+07 assign (resid 19 and name HA ) (resid 20 and name HG2# ) 4.0 1.5 2.0 ! A.3461 at 3.99e+06 assign (resid 19 and name HG2# ) (resid 21 and name HD# ) 4.5 2.0 3.0 ! A.967 at 3.01e+06 assign (resid 19 and name HA ) (resid 21 and name HD# ) 3.5 1.0 1.2 ! A.3597 at 7.45e+06 assign (resid 19 and name HG2# ) (resid 25 and name HB2 ) 2.7 0.5 1.2 ! A.1358 at 6.94e+07 assign (resid 19 and name HG2# ) (resid 25 and name HD2# ) 4.0 1.5 2.5 ! A.1646 at 3.77e+06 assign (resid 19 and name HG2# ) (resid 25 and name HB1 ) 4.0 1.5 2.0 ! A.1189 at 3.63e+06 assign (resid 19 and name HG2# ) (resid 89 and name HG1# ) 3.5 1.0 1.7 ! A.3365 at 6.96e+06 ! T20 assign (resid 20 and name HG2# ) (resid 20 and name HA ) 2.7 0.5 1.2 ! A.3460 at 5.66e+07 assign (resid 20 and name HG2# ) (resid 21 and name HA ) 4.5 2.0 2.5 ! A.1386 at 2.29e+06 assign (resid 20 and name HG2# ) (resid 21 and name HB2 ) 4.5 2.0 2.5 ! A.1016 at 3.35e+06 assign (resid 20 and name HG2# ) (resid 21 and name HG# ) 3.5 1.0 1.7 ! A.1289 at 7.49e+06 ! K21 assign (resid 21 and name HA ) (resid 21 and name HE# ) 4.5 2.0 2.5 ! A.608 at 2.07e+06 !assign (resid 21 and name HA ) (resid 21 and name HD# ) 3.5 1.0 1.2 ! A.1190 at 6.66e+06 assign (resid 21 and name HA ) (resid 21 and name HG# ) 2.7 0.5 1.2 ! A.2782 at 1.23e+07 assign (resid 21 and name HE# ) (resid 21 and name HB2 ) 3.5 1.0 1.2 ! A.1011 at 8.36e+06 assign (resid 21 and name HD2 ) (resid 21 and name HB2 ) 4.0 1.5 1.5 ! A.1014 at 4.72e+06 assign (resid 21 and name HG# ) (resid 21 and name HE# ) 3.5 1.5 1.5 ! A.613 at 3.53e+06 assign (resid 21 and name HE# ) (resid 21 and name HB1 ) 2.7 0.5 1.2 ! A.894 at 1.20e+07 assign (resid 21 and name HB2 ) (resid 21 and name HD1 ) 2.7 0.5 0.7 ! A.1160 at 2.04e+07 assign (resid 21 and name HD2 ) (resid 21 and name HA ) 3.5 0.5 1.0 ! A.145 at 1.29e+07 assign (resid 21 and name HD1 ) (resid 21 and name HA ) 3.5 0.5 0.7 ! A.145 at 1.29e+07 assign (resid 21 and name HA ) (resid 23 and name HA ) 4.5 2.0 2.0 ! A.176 at 2.51e+06 assign (resid 21 and name HA ) (resid 25 and name HB2 ) 4.5 2.0 2.0 ! A.178 at 2.06e+06 assign (resid 21 and name HB2 ) (resid 25 and name HD2# ) 4.0 1.5 2.0 ! A.1643 at 5.41e+06 assign (resid 21 and name HB1 ) (resid 25 and name HD1# ) 2.7 0.5 1.2 ! A.966 at 1.45e+07 assign (resid 21 and name HB1 ) (resid 25 and name HD2# ) 2.7 0.5 1.2 ! A.966 at 1.45e+07 assign (resid 21 and name HD2 ) (resid 85 and name HG12 ) 4.5 2.0 2.0 ! A.1629 at 2.01e+06 assign (resid 21 and name HD2 ) (resid 86 and name HG2 ) 4.0 0.5 1.0 ! A.1056 at 5.53e+07 assign (resid 21 and name HB2 ) (resid 89 and name HG2# ) 4.5 2.0 2.5 ! A.1511 at 2.63e+06 assign (resid 21 and name HG# ) (resid 89 and name HG2# ) 4.5 2.0 3.0 ! A.1513 at 2.42e+06 assign (resid 21 and name HD# ) (resid 89 and name HG1# ) 4.0 1.5 2.5 ! A.3363 at 4.85e+06 ! D22 assign (resid 22 and name HA ) (resid 25 and name HB1 ) 2.7 0.5 0.7 ! A.60 at 1.25e+07 assign (resid 22 and name HB1 ) (resid 25 and name HB2 ) 4.5 2.0 2.0 ! A.2893 at 3.27e+06 assign (resid 22 and name HB2 ) (resid 25 and name HD2# ) 4.0 1.5 2.0 ! A.2894 at 3.52e+06 assign (resid 22 and name HB2 ) (resid 25 and name HB2 ) 4.0 1.5 1.5 ! A.2895 at 4.22e+06 assign (resid 22 and name HB1 ) (resid 25 and name HD2# ) 4.0 1.5 2.0 ! A.1657 at 4.19e+06 assign (resid 22 and name HB1 ) (resid 25 and name HD1# ) 4.0 1.5 2.0 ! A.3275 at 5.65e+06 assign (resid 22 and name HB2 ) (resid 25 and name HD1# ) 4.5 2.0 2.5 ! A.3274 at 2.77e+06 assign (resid 22 and name HA ) (resid 25 and name HA ) 4.0 1.5 1.5 ! A.22 at 4.70e+06 ! Q23 assign (resid 23 and name HA ) (resid 23 and name HG# ) 2.7 0.5 1.2 ! A.32 at 1.26e+07 assign (resid 23 and name HG2 ) (resid 23 and name HA ) 3.0 0.5 0.7 ! A.2980 at 1.18e+07 assign (resid 23 and name HG2 ) (resid 25 and name HD1# ) 4.5 2.0 2.5 ! A.1653 at 2.07e+06 assign (resid 23 and name HG# ) (resid 25 and name HD2# ) 4.0 1.5 2.5 ! A.3265 at 4.71e+06 assign (resid 23 and name HB1 ) (resid 25 and name HD1# ) 3.5 1.0 1.2 ! A.703 at 6.84e+06 assign (resid 23 and name HE22 ) (resid 89 and name HG1# ) 4.0 1.5 2.0 ! A.3360 at 6.16e+06 assign (resid 23 and name HE21 ) (resid 89 and name HG1# ) 4.5 2.0 2.5 ! A.3361 at 3.28e+06 ! D24 ! L25 assign (resid 25 and name HA ) (resid 25 and name HD2# ) 3.5 1.0 1.2 ! A.1639 at 8.73e+06 assign (resid 25 and name HG ) (resid 25 and name HA ) 4.5 2.0 2.0 ! A.63 at 2.87e+06 assign (resid 25 and name HD2# ) (resid 25 and name HB1 ) 2.7 0.5 1.2 ! A.1208 at 4.29e+07 assign (resid 25 and name HD1# ) (resid 25 and name HB1 ) 2.7 0.5 1.2 ! A.3283 at 2.66e+07 assign (resid 25 and name HD1# ) (resid 25 and name HB2 ) 2.7 0.5 1.2 ! A.3284 at 1.48e+07 assign (resid 25 and name HA ) (resid 25 and name HD1# ) 3.5 1.0 1.2 ! A.1639 at 8.73e+06 assign (resid 25 and name HD2# ) (resid 25 and name HB2 ) 2.7 0.5 1.2 ! A.1323 at 1.12e+07 assign (resid 25 and name HB2 ) (resid 26 and name HA ) 4.5 2.0 2.0 ! A.2820 at 2.39e+06 assign (resid 25 and name HD2# ) (resid 27 and name HD1 ) 4.0 1.5 2.0 ! A.3270 at 5.07e+06 assign (resid 25 and name HD1# ) (resid 27 and name HD1 ) 4.0 1.5 2.0 ! A.3281 at 3.85e+06 assign (resid 25 and name HD2# ) (resid 85 and name HG2# ) 4.5 2.0 3.0 ! A.1632 at 3.18e+06 assign (resid 25 and name HD2# ) (resid 89 and name HA ) 4.0 1.5 2.0 ! A.3263 at 4.14e+06 assign (resid 25 and name HD2# ) (resid 89 and name HG2# ) 4.5 2.0 3.0 ! A.1512 at 2.78e+06 assign (resid 25 and name HD1# ) (resid 89 and name HG2# ) 4.0 2.0 3.0 ! A.3281 at 2.24e+06 assign (resid 25 and name HD1# ) (resid 89 and name HA ) 4.5 2.0 2.5 ! A.3278 at 3.41e+06 assign (resid 25 and name HG ) (resid 89 and name HG1# ) 4.5 1.0 1.2 ! A.3364 at 8.89e+06 assign (resid 25 and name HD2# ) (resid 89 and name HG1# ) 2.7 0.5 1.7 ! A.3366 at 2.96e+07 assign (resid 25 and name HG ) (resid 89 and name HG2# ) 3.5 1.0 1.2 ! A.1325 at 9.46e+06 assign (resid 25 and name HA ) (resid 98 and name HA ) 4.5 2.0 2.0 ! A.999 at 2.18e+06 assign (resid 25 and name HA ) (resid 98 and name HB1 ) 4.5 2.0 2.0 ! A.2972 at 2.56e+06 assign (resid 25 and name HB1 ) (resid 98 and name HB2 ) 3.5 0.5 1.0 ! A.1232 at 5.18e+07 assign (resid 25 and name HB2 ) (resid 98 and name HB1 ) 4.0 1.0 1.5 ! A.2974 at 7.33e+06 assign (resid 25 and name HB2 ) (resid 98 and name HB2 ) 4.0 1.0 1.0 ! A.2975 at 7.29e+06 assign (resid 25 and name HD1# ) (resid 98 and name HB2 ) 4.0 2.0 2.5 ! A.1641 at 2.18e+06 assign (resid 25 and name HD1# ) (resid 98 and name HB1 ) 4.5 2.0 2.5 ! A.1640 at 2.88e+06 assign (resid 25 and name HA ) (resid 98 and name HB2 ) 4.0 2.0 2.0 ! A.37 at 2.31e+06 assign (resid 25 and name HD2# ) (resid 98 and name HB1 ) 4.0 1.5 2.0 ! A.769 at 4.93e+06 assign (resid 25 and name HD2# ) (resid 99 and name HA ) 4.5 2.0 2.5 ! A.24 at 3.07e+06 assign (resid 25 and name HB1 ) (resid 99 and name HG2# ) 4.0 1.5 2.0 ! A.1209 at 4.45e+06 assign (resid 25 and name HA ) (resid 99 and name HA ) 4.0 1.5 1.5 ! A.22 at 4.70e+06 assign (resid 25 and name HB2 ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.1718 at 2.45e+06 assign (resid 25 and name HG ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.1720 at 2.20e+06 assign (resid 25 and name HD2# ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.1721 at 4.43e+06 assign (resid 25 and name HD1# ) (resid 100 and name HG2# ) 2.7 0.5 1.7 ! A.3273 at 1.37e+07 assign (resid 25 and name HD2# ) (resid 100 and name HG1# ) 3.5 1.0 1.7 ! A.1617 at 7.24e+06 assign (resid 25 and name HB1 ) (resid 100 and name HG2# ) 4.0 1.5 2.0 ! A.3567 at 5.41e+06 ! R26 assign (resid 26 and name HA ) (resid 26 and name HD2 ) 4.0 1.5 1.5 ! A.529 at 5.72e+06 assign (resid 26 and name HA ) (resid 26 and name HD1 ) 3.5 0.5 1.0 ! A.506 at 1.58e+07 assign (resid 26 and name HB# ) (resid 26 and name HD1 ) 4.5 2.0 2.5 ! A.508 at 2.45e+06 assign (resid 26 and name HG# ) (resid 26 and name HA ) 2.7 0.5 1.2 ! A.3146 at 1.05e+07 assign (resid 26 and name HA ) (resid 26 and name HE ) 4.0 1.5 1.5 ! A.23 at 6.04e+06 assign (resid 26 and name HD2 ) (resid 26 and name HB# ) 4.5 2.0 2.5 ! A.974 at 2.20e+06 assign (resid 26 and name HG# ) (resid 27 and name HB# ) 4.0 1.5 2.5 ! A.3149 at 5.73e+06 assign (resid 26 and name HG# ) (resid 28 and name HA ) 4.5 2.0 2.5 ! A.8 at 3.12e+06 assign (resid 26 and name HB# ) (resid 99 and name HA ) 3.5 1.0 1.2 ! A.2516 at 9.17e+06 assign (resid 26 and name HG# ) (resid 99 and name HA ) 4.0 1.5 2.0 ! A.2517 at 5.06e+06 assign (resid 26 and name HA ) (resid 99 and name HA ) 3.0 0.5 1.0 ! A.13 at 8.73e+07 assign (resid 26 and name HA ) (resid 99 and name HG2# ) 4.5 2.0 2.5 ! A.1489 at 2.59e+06 assign (resid 26 and name HD2 ) (resid 99 and name HG2# ) 4.5 2.0 2.5 ! A.1492 at 2.13e+06 assign (resid 26 and name HD1 ) (resid 99 and name HG2# ) 4.5 2.0 2.5 ! A.1491 at 2.04e+06 assign (resid 26 and name HB# ) (resid 99 and name HG2# ) 4.0 1.5 2.5 ! A.1493 at 5.18e+06 assign (resid 26 and name HG# ) (resid 99 and name HG2# ) 3.5 1.0 1.7 ! A.3478 at 7.47e+06 assign (resid 26 and name HD2 ) (resid 99 and name HA ) 4.5 2.0 2.0 ! A.504 at 2.17e+06 assign (resid 26 and name HD1 ) (resid 99 and name HA ) 4.5 2.0 2.0 ! A.504 at 2.17e+06 ! W27 assign (resid 27 and name HA ) (resid 27 and name HD1 ) 2.7 0.5 0.7 ! A.595 at 3.15e+07 assign (resid 27 and name HB1 ) (resid 27 and name HE3 ) 3.5 1.0 0.7 ! A.3054 at 6.55e+06 assign (resid 27 and name HB1 ) (resid 27 and name HD1 ) 4.0 1.5 1.5 ! A.3055 at 5.92e+06 !12-20assign (resid 27 and name HB2 ) (resid 28 and name HA ) 2.7 0.5 0.7 ! A.48 at 1.92e+07 assign (resid 27 and name HA ) (resid 28 and name HB2 ) 4.5 2.0 2.0 ! A.3088 at 3.28e+06 assign (resid 27 and name HA ) (resid 28 and name HB1 ) 4.5 2.0 2.0 ! A.3092 at 2.32e+06 assign (resid 27 and name HB1 ) (resid 31 and name HB# ) 4.0 1.5 2.0 ! A.1201 at 5.43e+06 assign (resid 27 and name HB2 ) (resid 31 and name HB# ) 3.5 1.0 1.2 ! A.599 at 6.60e+06 assign (resid 27 and name HA ) (resid 31 and name HB# ) 4.0 1.5 2.0 ! A.59 at 4.76e+06 assign (resid 27 and name HE3 ) (resid 32 and name HD1# ) 4.0 1.5 2.0 ! A.2789 at 4.20e+06 assign (resid 27 and name HB1 ) (resid 32 and name HG11 ) 4.0 1.5 1.5 ! A.3052 at 4.54e+06 assign (resid 27 and name HB1 ) (resid 32 and name HD1# ) 3.0 0.5 1.2 ! A.3053 at 1.06e+07 assign (resid 27 and name HH2 ) (resid 85 and name HG2# ) 4.5 2.0 2.5 ! A.3660 at 2.79e+06 assign (resid 27 and name HZ2 ) (resid 85 and name HG2# ) 4.5 2.0 2.5 ! A.3661 at 3.21e+06 assign (resid 27 and name HH2 ) (resid 85 and name HD1# ) 4.5 2.0 2.5 ! A.3706 at 2.43e+06 assign (resid 27 and name HZ2 ) (resid 85 and name HD1# ) 4.5 2.0 2.5 ! A.3707 at 2.03e+06 assign (resid 27 and name HA ) (resid 99 and name HG2# ) 3.5 1.0 1.2 ! A.3481 at 6.66e+06 assign (resid 27 and name HA ) (resid 100 and name HB ) 4.5 2.0 2.0 ! A.598 at 3.43e+06 assign (resid 27 and name HB1 ) (resid 100 and name HB ) 4.5 2.0 2.0 ! A.1426 at 2.02e+06 assign (resid 27 and name HA ) (resid 100 and name HG1# ) 4.5 2.0 2.5 ! A.57 at 2.38e+06 assign (resid 27 and name HH2 ) (resid 100 and name HG1# ) 4.0 1.5 2.0 ! A.3487 at 4.19e+06 assign (resid 27 and name HD1 ) (resid 100 and name HG1# ) 4.0 1.5 2.0 ! A.3488 at 3.87e+06 assign (resid 27 and name HA ) (resid 100 and name HG2# ) 3.5 1.0 1.2 ! A.58 at 6.95e+06 assign (resid 27 and name HB# ) (resid 100 and name HG2# ) 4.5 2.0 3.0 ! A.3565 at 3.19e+06 assign (resid 27 and name HD1 ) (resid 100 and name HG2# ) 4.0 1.5 2.0 ! A.3570 at 5.88e+06 assign (resid 27 and name HH2 ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.3572 at 2.37e+06 ! Q28 assign (resid 28 and name HA ) (resid 28 and name HG1 ) 3.0 0.5 0.7 ! A.2796 at 1.20e+07 assign (resid 28 and name HA ) (resid 28 and name HB1 ) 2.7 0.5 0.7 ! A.48 at 1.92e+07 assign (resid 28 and name HG2 ) (resid 28 and name HA ) 3.0 0.5 0.7 ! A.85 at 1.18e+07 assign (resid 28 and name HG2 ) (resid 31 and name HB# ) 4.5 2.0 2.5 ! A.2962 at 3.34e+06 assign (resid 28 and name HG1 ) (resid 31 and name HB# ) 4.5 2.0 2.5 ! A.2963 at 2.23e+06 assign (resid 28 and name HB1 ) (resid 31 and name HB# ) 4.5 2.0 2.5 ! A.3096 at 3.43e+06 assign (resid 28 and name HB2 ) (resid 31 and name HB# ) 4.0 1.5 2.0 ! A.3099 at 5.67e+06 assign (resid 28 and name HB# ) (resid 31 and name HB# ) 2.7 0.5 1.7 ! A.3612 at 9.73e+06 assign (resid 28 and name HA ) (resid 31 and name HB# ) 4.5 2.0 2.5 ! A.95 at 2.80e+06 assign (resid 28 and name HA ) (resid 99 and name HG2# ) 3.5 1.0 1.2 ! A.3482 at 7.91e+06 assign (resid 28 and name HG1 ) (resid 99 and name HG2# ) 2.7 0.5 1.2 ! A.3475 at 1.92e+07 assign (resid 28 and name HG1 ) (resid 99 and name HA ) 4.0 1.5 1.5 ! A.2968 at 3.80e+06 assign (resid 28 and name HG2 ) (resid 99 and name HG2# ) 2.7 0.5 1.2 ! A.3476 at 1.41e+07 assign (resid 28 and name HG2 ) (resid 99 and name HA ) 4.0 1.5 1.5 ! A.2970 at 4.67e+06 assign (resid 28 and name HB1 ) (resid 99 and name HG2# ) 4.0 1.5 2.0 ! A.3094 at 3.62e+06 assign (resid 28 and name HB2 ) (resid 99 and name HG2# ) 3.5 1.0 1.2 ! A.3098 at 6.67e+06 assign (resid 28 and name HB# ) (resid 99 and name HG2# ) 2.7 0.5 1.7 ! A.827 at 1.69e+07 assign (resid 28 and name HG1 ) (resid 100 and name HB ) 4.5 2.0 2.0 ! A.2966 at 3.19e+06 assign (resid 28 and name HA ) (resid 101 and name HA ) 4.5 1.5 2.0 ! A.92 at 4.39e+06 assign (resid 28 and name HG1 ) (resid 101 and name HA ) 4.0 1.5 1.5 ! A.2526 at 6.34e+06 assign (resid 28 and name HG2 ) (resid 101 and name HA ) 3.5 0.5 0.7 ! A.2527 at 1.09e+07 assign (resid 28 and name HB# ) (resid 101 and name HA ) 3.5 0.5 1.2 ! A.2528 at 1.31e+07 assign (resid 28 and name HB2 ) (resid 101 and name HA ) 4.0 1.5 1.5 ! A.3089 at 5.99e+06 assign (resid 28 and name HB1 ) (resid 101 and name HA ) 4.0 1.5 1.5 ! A.3093 at 4.69e+06 assign (resid 28 and name HB1 ) (resid 101 and name HG2# ) 4.5 2.0 2.5 ! A.3095 at 2.72e+06 assign (resid 28 and name HB2 ) (resid 101 and name HG2# ) 4.0 1.5 2.0 ! A.3097 at 4.66e+06 assign (resid 28 and name HG1 ) (resid 101 and name HG2# ) 4.5 2.0 2.5 ! A.1427 at 1.17e+09 assign (resid 28 and name HG2 ) (resid 101 and name HG2# ) 3.5 1.0 1.2 ! A.3474 at 7.26e+06 ! S29 assign (resid 29 and name HA ) (resid 32 and name HD1# ) 4.0 1.5 2.0 ! A.2787 at 4.30e+06 assign (resid 29 and name HA ) (resid 32 and name HB ) 2.7 0.5 0.7 ! A.2935 at 1.40e+07 ! M30 assign (resid 30 and name HG2 ) (resid 30 and name HA ) 4.0 1.5 1.5 ! A.3014 at 4.89e+06 assign (resid 30 and name HG1 ) (resid 30 and name HA ) 4.0 1.5 1.5 ! A.3013 at 4.65e+06 assign (resid 30 and name HB1 ) (resid 31 and name HA ) 4.5 2.0 2.0 ! A.332 at 2.19e+06 assign (resid 30 and name HA ) (resid 33 and name HA ) 4.5 2.0 2.0 ! A.78 at 2.66e+06 assign (resid 30 and name HA ) (resid 33 and name HB1 ) 3.0 0.5 0.7 ! A.652 at 1.35e+07 assign (resid 30 and name HA ) (resid 33 and name HG1 ) 2.7 0.5 0.7 ! A.652 at 1.35e+07 assign (resid 30 and name HA ) (resid 33 and name HG2 ) 2.7 0.5 0.7 ! A.652 at 1.35e+07 assign (resid 30 and name HA ) (resid 101 and name HA ) 4.5 2.0 2.0 ! A.7 at 2.23e+06 assign (resid 30 and name HB2 ) (resid 103 and name HB2 ) 4.5 1.0 1.2 ! A.1293 at 5.60e+06 ! A31 assign (resid 31 and name HB# ) (resid 32 and name HG12 ) 4.5 2.0 2.5 ! A.1172 at 3.22e+06 assign (resid 31 and name HB# ) (resid 32 and name HA ) 4.0 1.5 2.0 ! A.456 at 6.18e+06 assign (resid 31 and name HB# ) (resid 32 and name HG11 ) 3.5 1.0 1.2 ! A.1203 at 8.67e+06 assign (resid 31 and name HA ) (resid 33 and name HB2 ) 4.5 2.0 2.5 ! A.332 at 2.19e+06 assign (resid 31 and name HA ) (resid 34 and name HB# ) 3.5 1.0 1.2 ! A.3642 at 7.12e+06 assign (resid 31 and name HB# ) (resid 34 and name HB# ) 4.0 1.5 2.5 ! A.3647 at 5.51e+06 assign (resid 31 and name HA ) (resid 35 and name HD1# ) 4.5 2.0 2.5 ! A.1546 at 3.14e+06 assign (resid 31 and name HA ) (resid 100 and name HG1# ) 4.0 1.5 2.0 ! A.1693 at 3.67e+06 assign (resid 31 and name HB# ) (resid 100 and name HG1# ) 3.5 1.0 1.7 ! A.1152 at 7.59e+06 assign (resid 31 and name HA ) (resid 100 and name HB ) 3.5 1.0 0.7 ! A.1425 at 6.72e+06 assign (resid 31 and name HB# ) (resid 101 and name HA ) 2.7 0.5 1.2 ! A.12 at 1.36e+07 assign (resid 31 and name HB# ) (resid 102 and name HB# ) 4.5 2.0 3.0 ! A.1362 at 2.93e+06 assign (resid 31 and name HA ) (resid 105 and name HG2# ) 4.5 2.0 2.5 ! A.1655 at 2.85e+06 assign (resid 31 and name HA ) (resid 105 and name HB ) 4.0 1.5 1.5 ! A.772 at 3.72e+06 ! I32 assign (resid 32 and name HD1# ) (resid 32 and name HB ) 3.5 1.0 1.2 ! A.2792 at 8.52e+06 assign (resid 32 and name HD1# ) (resid 32 and name HA ) 2.7 0.5 1.2 ! A.2794 at 1.52e+07 assign (resid 32 and name HA ) (resid 32 and name HG11 ) 4.0 1.5 1.5 ! A.3635 at 5.57e+06 assign (resid 32 and name HA ) (resid 32 and name HG12 ) 4.0 1.5 1.5 ! A.3636 at 4.89e+06 assign (resid 32 and name HA ) (resid 32 and name HG2# ) 2.7 0.5 1.2 ! A.3638 at 1.48e+07 assign (resid 32 and name HB ) (resid 33 and name HG1 ) 4.5 2.0 2.0 ! A.653 at 2.01e+06 assign (resid 32 and name HB ) (resid 33 and name HG2 ) 4.5 2.0 2.0 ! A.653 at 2.01e+06 assign (resid 32 and name HA ) (resid 34 and name HB# ) 4.0 1.5 2.0 ! A.3645 at 3.72e+06 assign (resid 32 and name HB ) (resid 35 and name HB2 ) 4.5 2.0 2.0 ! A.727 at 2.09e+06 assign (resid 32 and name HG2# ) (resid 35 and name HB1 ) 4.5 2.0 2.5 ! A.1528 at 2.52e+06 assign (resid 32 and name HG11 ) (resid 35 and name HD2# ) 4.5 2.0 2.5 ! A.1681 at 2.33e+06 assign (resid 32 and name HA ) (resid 35 and name HB1 ) 4.0 1.5 1.5 ! A.3633 at 4.49e+06 assign (resid 32 and name HA ) (resid 35 and name HG ) 4.5 2.0 2.0 ! A.3634 at 2.35e+06 assign (resid 32 and name HA ) (resid 35 and name HB2 ) 4.5 2.0 2.0 ! A.3637 at 2.95e+06 assign (resid 32 and name HA ) (resid 35 and name HD2# ) 4.0 1.5 2.0 ! A.3639 at 6.50e+06 ! M33 assign (resid 33 and name HG1 ) (resid 33 and name HA ) 4.0 1.5 1.5 ! A.3012 at 5.19e+06 assign (resid 33 and name HG2 ) (resid 33 and name HA ) 3.5 1.0 0.7 ! A.3015 at 6.85e+06 assign (resid 33 and name HB2 ) (resid 34 and name HA ) 4.5 2.0 2.0 ! A.371 at 2.97e+06 assign (resid 33 and name HA ) (resid 35 and name HB2 ) 4.5 2.0 2.0 ! A.184 at 2.13e+06 assign (resid 33 and name HA ) (resid 36 and name HB1 ) 4.5 2.0 2.0 ! A.3114 at 3.03e+06 assign (resid 33 and name HB1 ) (resid 37 and name HG2 ) 4.5 2.0 2.0 ! A.659 at 2.97e+06 assign (resid 33 and name HB# ) (resid 102 and name HB# ) 4.0 1.5 2.5 ! A.3670 at 4.41e+06 ! A34 assign (resid 34 and name HA ) (resid 35 and name HB2 ) 4.5 2.0 2.0 ! A.392 at 3.06e+06 assign (resid 34 and name HA ) (resid 37 and name HB# ) 3.5 1.0 1.2 ! A.2805 at 6.74e+06 assign (resid 34 and name HA ) (resid 37 and name HG2 ) 4.5 2.0 2.0 ! A.393 at 2.59e+06 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 4.5 2.0 2.0 ! A.783 at 2.13e+06 assign (resid 34 and name HA ) (resid 38 and name HB# ) 4.0 1.5 2.0 ! A.1179 at 3.83e+06 assign (resid 34 and name HB# ) (resid 102 and name HB# ) 4.5 2.0 3.0 ! A.3669 at 2.82e+06 assign (resid 34 and name HA ) (resid 105 and name HG2# ) 4.5 2.0 2.5 ! A.1656 at 3.04e+06 assign (resid 34 and name HA ) (resid 105 and name HG1# ) 4.5 2.0 2.5 ! A.395 at 2.72e+06 assign (resid 34 and name HB# ) (resid 105 and name HG1# ) 2.7 0.5 1.7 ! A.3650 at 1.85e+07 assign (resid 34 and name HB# ) (resid 105 and name HB ) 3.5 1.0 1.2 ! A.3646 at 7.63e+06 assign (resid 34 and name HB# ) (resid 105 and name HG2# ) 3.0 1.0 1.7 ! A.3648 at 7.93e+06 assign (resid 34 and name HA ) (resid 105 and name HB ) 4.5 2.0 2.0 ! A.373 at 3.28e+06 assign (resid 34 and name HB# ) (resid 106 and name HG2# ) 4.0 1.5 2.5 ! A.3649 at 4.72e+06 assign (resid 34 and name HA ) (resid 106 and name HG2# ) 4.5 2.0 2.5 ! A.1546 at 3.14e+06 ! L35 assign (resid 35 and name HA ) (resid 35 and name HG ) 3.5 1.0 0.7 ! A.925 at 7.76e+06 assign (resid 35 and name HB1 ) (resid 35 and name HD1# ) 4.5 2.0 2.5 ! A.1613 at 2.25e+06 assign (resid 35 and name HD2# ) (resid 35 and name HA ) 2.7 0.5 1.2 ! A.3293 at 1.71e+07 assign (resid 35 and name HD2# ) (resid 35 and name HB1 ) 3.5 1.0 1.2 ! A.3294 at 8.16e+06 assign (resid 35 and name HD2# ) (resid 35 and name HB2 ) 3.5 1.0 1.2 ! A.3297 at 9.25e+06 assign (resid 35 and name HD1# ) (resid 35 and name HB2 ) 2.7 0.5 1.2 ! A.1378 at 2.85e+07 assign (resid 35 and name HA ) (resid 35 and name HD1# ) 2.7 0.5 1.2 ! A.1611 at 2.37e+07 assign (resid 35 and name HA ) (resid 36 and name HA ) 4.5 2.0 2.0 ! A.452 at 2.83e+06 assign (resid 35 and name HB1 ) (resid 36 and name HA ) 4.5 2.0 2.0 ! A.770 at 3.39e+06 assign (resid 35 and name HA ) (resid 37 and name HB2 ) 4.0 0.5 1.0 ! A.782 at 2.22e+07 assign (resid 35 and name HA ) (resid 38 and name HB# ) 2.7 0.5 1.2 ! A.1178 at 1.20e+07 assign (resid 35 and name HG ) (resid 38 and name HB# ) 4.0 1.5 2.0 ! A.3155 at 4.86e+06 assign (resid 35 and name HD1# ) (resid 38 and name HB# ) 3.0 0.5 1.7 ! A.3609 at 1.02e+07 assign (resid 35 and name HD1# ) (resid 100 and name HG1# ) 4.0 1.0 2.0 ! A.1617 at 7.24e+06 ! Q36 assign (resid 36 and name HA ) (resid 36 and name HG1 ) 3.5 1.0 0.7 ! A.2522 at 8.32e+06 assign (resid 36 and name HA ) (resid 39 and name HA ) 4.5 2.0 2.0 ! A.249 at 3.21e+06 assign (resid 36 and name HA ) (resid 40 and name HB1 ) 4.5 2.0 2.0 ! A.454 at 2.45e+06 assign (resid 36 and name HA ) (resid 40 and name HB2 ) 4.5 2.0 2.0 ! A.454 at 2.45e+06 ! E37 assign (resid 37 and name HA ) (resid 37 and name HG2 ) 3.5 1.0 0.7 ! A.719 at 8.63e+06 assign (resid 37 and name HA ) (resid 37 and name HG1 ) 4.0 1.5 1.5 ! A.697 at 6.17e+06 assign (resid 37 and name HA ) (resid 40 and name HB2 ) 4.0 1.5 1.5 ! A.1008 at 4.50e+06 assign (resid 37 and name HA ) (resid 41 and name HB# ) 4.5 2.0 2.5 ! A.1271 at 2.76e+06 ! A38 assign (resid 38 and name HA ) (resid 39 and name HA ) 3.5 0.5 1.0 ! A.3620 at 1.49e+07 assign (resid 38 and name HB# ) (resid 41 and name HB# ) 4.0 1.5 2.5 ! A.1279 at 4.39e+06 assign (resid 38 and name HA ) (resid 41 and name HB# ) 2.7 0.5 1.2 ! A.3614 at 1.73e+07 assign (resid 38 and name HA ) (resid 77 and name HD1# ) 4.5 1.5 2.0 ! A.3200 at 4.73e+06 assign (resid 38 and name HA ) (resid 77 and name HD2# ) 4.0 1.5 2.0 ! A.3261 at 5.97e+06 assign (resid 38 and name HB# ) (resid 81 and name HG ) 4.0 1.5 2.0 ! A.3607 at 6.27e+06 assign (resid 38 and name HB# ) (resid 81 and name HD2# ) 2.7 0.5 1.7 ! A.3608 at 4.27e+07 assign (resid 38 and name HB# ) (resid 105 and name HG1# ) 3.5 1.0 1.7 ! A.1070 at 6.69e+06 assign (resid 38 and name HB# ) (resid 109 and name HD1# ) 3.5 0.5 1.7 ! A.3144 at 1.68e+07 ! S39 assign (resid 39 and name HA ) (resid 42 and name HB2 ) 4.5 2.0 2.0 ! A.2912 at 3.31e+06 assign (resid 39 and name HA ) (resid 77 and name HD1# ) 4.5 2.0 2.5 ! A.3201 at 3.19e+06 assign (resid 39 and name HB# ) (resid 77 and name HD1# ) 4.0 1.5 2.5 ! A.3202 at 4.83e+06 assign (resid 39 and name HA ) (resid 77 and name HD2# ) 4.0 1.5 2.0 ! A.3262 at 5.53e+06 ! E40 assign (resid 40 and name HA ) (resid 40 and name HG2 ) 3.5 1.0 0.7 ! A.1018 at 7.49e+06 assign (resid 40 and name HA ) (resid 40 and name HG1 ) 3.5 1.0 0.7 ! A.867 at 7.14e+06 assign (resid 40 and name HG1 ) (resid 41 and name HB# ) 4.5 2.0 2.5 ! A.1275 at 2.19e+06 assign (resid 40 and name HG1 ) (resid 41 and name HA ) 2.7 0.5 0.7 ! A.303 at 1.12e+07 assign (resid 40 and name HA ) (resid 43 and name HD1# ) 4.0 1.5 2.0 ! A.1515 at 3.56e+06 assign (resid 40 and name HA ) (resid 43 and name HB2 ) 4.5 2.0 2.0 ! A.476 at 2.27e+06 assign (resid 40 and name HA ) (resid 43 and name HG ) 4.5 2.0 2.0 ! A.477 at 2.81e+06 assign (resid 40 and name HB2 ) (resid 43 and name HD1# ) 4.5 2.0 2.5 ! A.3188 at 2.77e+06 assign (resid 40 and name HA ) (resid 44 and name HG2# ) 4.0 1.5 2.0 ! A.479 at 4.52e+06 assign (resid 40 and name HG2 ) (resid 44 and name HG2# ) 4.5 2.0 2.5 ! A.1585 at 2.03e+06 ! A41 assign (resid 41 and name HA ) (resid 43 and name HB2 ) 4.5 2.0 2.0 ! A.344 at 2.48e+06 assign (resid 41 and name HA ) (resid 43 and name HA ) 4.5 1.5 2.0 ! A.2811 at 1.12e+07 assign (resid 41 and name HA ) (resid 44 and name HB ) 4.5 2.0 2.0 ! A.278 at 2.01e+06 assign (resid 41 and name HB# ) (resid 44 and name HB ) 4.5 2.0 2.5 ! A.3042 at 3.10e+06 assign (resid 41 and name HA ) (resid 44 and name HG2# ) 4.0 1.5 2.0 ! A.1581 at 5.30e+06 assign (resid 41 and name HB# ) (resid 44 and name HG1# ) 4.5 2.0 3.0 ! A.3616 at 3.18e+06 assign (resid 41 and name HB# ) (resid 109 and name HD2# ) 4.5 2.0 3.0 ! A.1651 at 2.63e+06 assign (resid 41 and name HB# ) (resid 109 and name HD1# ) 3.5 1.0 1.7 ! A.3617 at 7.31e+06 assign (resid 41 and name HA ) (resid 114 and name HD1 ) 4.5 2.0 2.0 ! A.343 at 2.97e+06 ! Y42 assign (resid 42 and name HA ) (resid 42 and name HD# ) 4.0 1.5 2.0 ! A.2519 at 6.41e+06 assign (resid 42 and name HB2 ) (resid 42 and name HD# ) 3.5 1.0 1.2 ! A.2913 at 6.66e+06 assign (resid 42 and name HB1 ) (resid 42 and name HD# ) 4.0 1.5 2.0 ! A.2914 at 5.25e+06 assign (resid 42 and name HA ) (resid 45 and name HA2 ) 4.5 2.0 2.0 ! A.349 at 2.46e+06 assign (resid 42 and name HA ) (resid 45 and name HA1 ) 4.5 2.0 2.0 ! A.349 at 2.46e+06 assign (resid 42 and name HE# ) (resid 46 and name HD1# ) 3.5 1.0 1.7 ! A.3216 at 8.87e+06 assign (resid 42 and name HD1 ) (resid 46 and name HD1# ) 4.5 2.0 2.5 ! A.3217 at 2.55e+06 assign (resid 42 and name HE# ) (resid 46 and name HD2# ) 3.5 1.0 1.7 ! A.3346 at 9.32e+06 assign (resid 42 and name HD2 ) (resid 46 and name HD2# ) 4.5 2.0 2.5 ! A.3351 at 2.51e+06 assign (resid 42 and name HE# ) (resid 76 and name HG2# ) 4.0 1.5 2.5 ! A.3425 at 4.41e+06 assign (resid 42 and name HD1 ) (resid 76 and name HG1# ) 4.5 2.0 2.5 ! A.3437 at 2.98e+06 assign (resid 42 and name HE1 ) (resid 76 and name HG1# ) 2.7 0.5 1.2 ! A.3438 at 1.61e+07 assign (resid 42 and name HD1 ) (resid 77 and name HD1# ) 4.0 1.5 2.0 ! A.3205 at 4.25e+06 assign (resid 42 and name HB1 ) (resid 77 and name HD2# ) 4.5 2.0 2.5 ! A.3251 at 2.75e+06 assign (resid 42 and name HD# ) (resid 77 and name HD2# ) 2.7 0.5 1.7 ! A.3256 at 1.04e+07 assign (resid 42 and name HE# ) (resid 77 and name HD2# ) 4.0 1.5 2.5 ! A.3257 at 4.88e+06 assign (resid 42 and name HA ) (resid 77 and name HD2# ) 4.0 1.5 2.0 ! A.3263 at 6.14e+06 assign (resid 42 and name HE1 ) (resid 80 and name HB# ) 4.5 2.0 2.5 ! A.2904 at 3.48e+06 ! L43 assign (resid 43 and name HA ) (resid 43 and name HD2# ) 2.7 0.5 1.2 ! A.1516 at 1.82e+07 assign (resid 43 and name HB2 ) (resid 43 and name HD1# ) 4.5 2.0 2.5 ! A.1481 at 2.76e+06 assign (resid 43 and name HB1 ) (resid 43 and name HD2# ) 4.0 1.5 2.0 ! A.1518 at 4.45e+06 assign (resid 43 and name HB2 ) (resid 43 and name HD2# ) 3.5 1.0 1.2 ! A.1519 at 8.00e+06 assign (resid 43 and name HG ) (resid 43 and name HA ) 4.0 1.5 1.5 ! A.432 at 4.08e+06 assign (resid 43 and name HD1# ) (resid 43 and name HA ) 4.0 1.5 2.0 ! A.3183 at 5.66e+06 assign (resid 43 and name HD1# ) (resid 43 and name HB1 ) 4.5 2.0 2.5 ! A.957 at 3.12e+06 assign (resid 43 and name HB1 ) (resid 44 and name HG2# ) 4.5 2.0 2.5 ! A.1582 at 2.59e+06 assign (resid 43 and name HB2 ) (resid 44 and name HG2# ) 4.0 1.5 2.0 ! A.1027 at 6.18e+06 assign (resid 43 and name HD1# ) (resid 44 and name HG2# ) 2.7 0.5 1.7 ! A.3189 at 1.91e+07 assign (resid 43 and name HA ) (resid 44 and name HG2# ) 4.5 2.0 2.5 ! A.3492 at 3.18e+06 assign (resid 43 and name HA ) (resid 46 and name HB2 ) 4.5 2.0 2.0 ! A.1344 at 2.51e+06 assign (resid 43 and name HA ) (resid 46 and name HB1 ) 4.0 1.5 1.5 ! A.428 at 4.08e+06 assign (resid 43 and name HD2# ) (resid 46 and name HB2 ) 4.5 2.0 2.5 ! A.1517 at 3.29e+06 assign (resid 43 and name HG ) (resid 46 and name HB2 ) 4.5 2.0 2.0 ! A.1364 at 2.02e+06 assign (resid 43 and name HG ) (resid 46 and name HD1# ) 4.5 2.0 2.5 ! A.1690 at 2.07e+06 assign (resid 43 and name HA ) (resid 46 and name HG ) 4.5 2.0 2.0 ! A.1344 at 2.51e+06 assign (resid 43 and name HA ) (resid 46 and name HD1# ) 3.5 1.0 1.2 ! A.1670 at 8.67e+06 assign (resid 43 and name HD2# ) (resid 46 and name HD2# ) 3.5 1.0 1.7 ! A.3248 at 8.00e+06 assign (resid 43 and name HG ) (resid 46 and name HD2# ) 4.0 1.5 2.0 ! A.3348 at 4.13e+06 assign (resid 43 and name HA ) (resid 46 and name HD2# ) 4.0 1.5 2.0 ! A.418 at 5.46e+06 assign (resid 43 and name HB1 ) (resid 46 and name HD2# ) 4.5 2.0 2.5 ! A.914 at 2.64e+06 assign (resid 43 and name HA ) (resid 47 and name HB1 ) 3.5 0.5 1.0 ! A.986 at 1.53e+07 assign (resid 43 and name HB1 ) (resid 47 and name HB1 ) 3.5 0.5 0.7 ! A.884 at 1.05e+07 assign (resid 43 and name HG ) (resid 77 and name HD1# ) 4.0 1.0 1.2 ! A.3194 at 7.53e+06 !assign (resid 43 and name HD1# ) (resid 119 and name HD1 ) 4.5 2.0 2.5 ! A.3184 at 3.28e+06 !assign (resid 43 and name HD1# ) (resid 119 and name HE1 ) 4.0 1.5 2.0 ! A.3185 at 3.77e+06 ! V44 assign (resid 44 and name HG1# ) (resid 44 and name HA ) 2.7 0.5 1.2 ! A.3373 at 3.13e+07 assign (resid 44 and name HG2# ) (resid 44 and name HA ) 2.7 0.5 1.2 ! A.3457 at 1.37e+07 assign (resid 44 and name HA ) (resid 47 and name HB1 ) 4.5 2.0 2.0 ! A.475 at 3.28e+06 assign (resid 44 and name HA ) (resid 47 and name HD1# ) 3.5 1.0 1.2 ! A.3178 at 7.74e+06 assign (resid 44 and name HA ) (resid 47 and name HD2# ) 4.5 2.0 2.5 ! A.3353 at 3.33e+06 assign (resid 44 and name HG1# ) (resid 47 and name HG ) 4.0 1.5 2.0 ! A.1103 at 6.18e+06 assign (resid 44 and name HG1# ) (resid 47 and name HD2# ) 4.5 2.0 3.0 ! A.1479 at 2.08e+06 assign (resid 44 and name HG2# ) (resid 47 and name HG ) 4.0 1.5 2.0 ! A.3493 at 4.10e+06 assign (resid 44 and name HA ) (resid 47 and name HB2 ) 4.0 1.5 1.5 ! A.3520 at 3.88e+06 assign (resid 44 and name HG1# ) (resid 48 and name HG2 ) 4.0 1.5 2.0 ! A.1478 at 3.66e+06 ! G45 assign (resid 45 and name HA2 ) (resid 46 and name HA ) 4.5 2.0 2.0 ! A.349 at 2.46e+06 assign (resid 45 and name HA1 ) (resid 46 and name HA ) 4.5 2.0 2.0 ! A.349 at 2.46e+06 assign (resid 45 and name HA2 ) (resid 47 and name HB1 ) 4.5 2.0 2.0 ! A.918 at 2.77e+06 assign (resid 45 and name HA2 ) (resid 48 and name HB2 ) 4.5 2.0 2.0 ! A.918 at 2.77e+06 assign (resid 45 and name HA1 ) (resid 48 and name HB2 ) 4.5 2.0 2.0 ! A.918 at 2.77e+06 ! L46 assign (resid 46 and name HG ) (resid 46 and name HA ) 4.5 2.0 2.0 ! A.353 at 3.26e+06 assign (resid 46 and name HD1# ) (resid 46 and name HA ) 3.5 1.0 1.2 ! A.354 at 8.07e+06 assign (resid 46 and name HD1# ) (resid 46 and name HB1 ) 2.7 0.5 1.2 ! A.1115 at 1.56e+07 assign (resid 46 and name HD2# ) (resid 46 and name HB1 ) 2.7 0.5 1.2 ! A.1119 at 1.87e+07 assign (resid 46 and name HA ) (resid 46 and name HD2# ) 2.7 0.5 1.2 ! A.1671 at 3.56e+07 assign (resid 46 and name HB2 ) (resid 46 and name HD1# ) 2.7 0.5 1.2 ! A.1673 at 1.38e+07 assign (resid 46 and name HB2 ) (resid 46 and name HD2# ) 2.7 0.5 1.2 ! A.1673 at 1.38e+07 assign (resid 46 and name HA ) (resid 47 and name HA ) 4.5 2.0 2.0 ! A.348 at 2.37e+06 assign (resid 46 and name HB2 ) (resid 47 and name HA ) 4.5 2.0 2.0 ! A.238 at 2.40e+06 assign (resid 46 and name HD2# ) (resid 47 and name HA ) 4.0 1.5 2.0 ! A.3347 at 3.81e+06 assign (resid 46 and name HB1 ) (resid 47 and name HB1 ) 4.5 2.0 2.0 ! A.897 at 3.24e+06 assign (resid 46 and name HB1 ) (resid 47 and name HA ) 3.5 1.0 0.7 ! A.233 at 8.28e+06 assign (resid 46 and name HA ) (resid 47 and name HB1 ) 4.5 2.0 2.0 ! A.344 at 2.48e+06 assign (resid 46 and name HB2 ) (resid 47 and name HB1 ) 4.5 2.0 2.0 ! A.1363 at 2.36e+06 assign (resid 46 and name HD2# ) (resid 47 and name HB2 ) 4.0 1.5 2.0 ! A.1247 at 4.63e+06 assign (resid 46 and name HA ) (resid 48 and name HB2 ) 4.0 1.5 1.5 ! A.325 at 3.78e+06 assign (resid 46 and name HA ) (resid 50 and name HG2# ) 3.5 1.0 1.2 ! A.1403 at 8.91e+06 assign (resid 46 and name HB1 ) (resid 50 and name HG2# ) 4.5 2.0 2.5 ! A.1404 at 2.92e+06 assign (resid 46 and name HD2# ) (resid 50 and name HG2# ) 2.7 0.5 1.7 ! A.3349 at 1.30e+07 assign (resid 46 and name HD2# ) (resid 50 and name HB ) 4.0 1.5 2.0 ! A.3350 at 3.85e+06 assign (resid 46 and name HG ) (resid 50 and name HG2# ) 2.7 0.5 1.2 ! A.1367 at 1.76e+07 assign (resid 46 and name HD1# ) (resid 50 and name HG2# ) 2.7 0.5 1.7 ! A.3465 at 1.51e+07 assign (resid 46 and name HD2# ) (resid 73 and name HG1# ) 4.5 2.0 3.0 ! A.1609 at 2.78e+06 assign (resid 46 and name HD1# ) (resid 73 and name HG2# ) 4.0 1.5 2.5 ! A.1676 at 5.32e+06 assign (resid 46 and name HB2 ) (resid 73 and name HG2# ) 4.5 2.0 2.5 ! A.992 at 2.89e+06 assign (resid 46 and name HD2# ) (resid 73 and name HG2# ) 4.0 1.5 2.5 ! A.1669 at 5.18e+06 assign (resid 46 and name HD1# ) (resid 73 and name HG1# ) 4.5 1.2 2.0 ! A.1504 at 1.02e+07 assign (resid 46 and name HD1# ) (resid 76 and name HG1# ) 4.0 0.5 1.5 ! A.3440 at 2.47e+07 !assign (resid 46 and name HD1# ) (resid 76 and name HB ) 4.5 2.0 2.5 ! A.3218 at 2.99e+06 ! L47 assign (resid 47 and name HB1 ) (resid 47 and name HD1# ) 4.0 1.5 2.0 ! A.1584 at 4.49e+06 assign (resid 47 and name HB1 ) (resid 47 and name HD2# ) 2.7 0.5 1.2 ! A.2880 at 1.37e+07 assign (resid 47 and name HB2 ) (resid 47 and name HD2# ) 2.7 0.5 1.2 ! A.2881 at 1.34e+07 assign (resid 47 and name HD1# ) (resid 47 and name HA ) 4.0 1.5 2.0 ! A.3176 at 6.07e+06 assign (resid 47 and name HD1# ) (resid 47 and name HB2 ) 2.7 0.5 1.2 ! A.3181 at 1.15e+07 assign (resid 47 and name HD2# ) (resid 47 and name HA ) 3.5 1.0 1.2 ! A.242 at 7.16e+06 assign (resid 47 and name HD2# ) (resid 47 and name HB2 ) 2.7 0.5 1.2 ! A.3355 at 1.38e+07 assign (resid 47 and name HA ) (resid 47 and name HG ) 2.7 0.5 0.7 ! A.1096 at 2.26e+07 assign (resid 47 and name HD2# ) (resid 48 and name HG1 ) 4.0 1.5 2.0 ! A.1633 at 4.14e+06 assign (resid 47 and name HB1 ) (resid 48 and name HB2 ) 4.5 2.0 2.0 ! A.937 at 2.94e+06 assign (resid 47 and name HG ) (resid 48 and name HB2 ) 3.5 0.5 0.7 ! A.1066 at 1.01e+07 assign (resid 47 and name HB1 ) (resid 48 and name HB1 ) 4.5 2.0 2.0 ! A.937 at 2.94e+06 assign (resid 47 and name HB2 ) (resid 50 and name HG2# ) 4.5 2.0 2.5 ! A.1255 at 2.45e+06 assign (resid 47 and name HD2# ) (resid 50 and name HG2# ) 4.0 1.0 1.7 ! A.3357 at 9.48e+06 assign (resid 47 and name HD1# ) (resid 50 and name HG2# ) 2.7 0.5 1.7 ! A.1637 at 1.83e+07 assign (resid 47 and name HA ) (resid 50 and name HG2# ) 4.0 1.5 2.0 ! A.1402 at 4.28e+06 ! E48 assign (resid 48 and name HA ) (resid 48 and name HG1 ) 4.0 1.5 1.5 ! A.2778 at 5.48e+06 assign (resid 48 and name HA ) (resid 48 and name HG2 ) 4.5 2.0 2.0 ! A.2779 at 3.28e+06 ! H49 assign (resid 49 and name HB2 ) (resid 50 and name HG2# ) 4.5 2.0 2.5 ! A.1408 at 2.26e+06 assign (resid 49 and name HB2 ) (resid 52 and name HD1# ) 4.0 1.5 2.0 ! A.553 at 4.02e+06 ! T50 assign (resid 50 and name HG2# ) (resid 50 and name HA ) 2.7 0.5 1.2 ! A.66 at 2.53e+07 assign (resid 50 and name HA ) (resid 53 and name HD1# ) 4.5 2.0 2.5 ! A.65 at 3.37e+06 ! N51 assign (resid 51 and name HA ) (resid 52 and name HD2# ) 4.5 2.0 2.5 ! A.2824 at 2.55e+06 assign (resid 51 and name HB1 ) (resid 52 and name HD2# ) 4.5 2.0 2.5 ! A.1623 at 2.38e+06 assign (resid 51 and name HA ) (resid 54 and name HB# ) 4.0 1.5 2.0 ! A.6 at 4.57e+06 assign (resid 51 and name HB1 ) (resid 54 and name HB# ) 4.0 1.5 2.0 ! A.629 at 4.32e+06 assign (resid 51 and name HB2 ) (resid 54 and name HB# ) 4.0 1.5 2.0 ! A.1280 at 3.51e+06 ! L52 assign (resid 52 and name HA ) (resid 52 and name HD1# ) 3.5 1.0 1.2 ! A.1538 at 9.32e+06 assign (resid 52 and name HG ) (resid 52 and name HA ) 2.7 0.5 0.7 ! A.263 at 1.22e+07 assign (resid 52 and name HD1# ) (resid 52 and name HB1 ) 2.7 0.5 1.2 ! A.1098 at 6.81e+07 assign (resid 52 and name HD1# ) (resid 52 and name HB2 ) 2.7 0.5 1.2 ! A.3226 at 2.58e+07 assign (resid 52 and name HD2# ) (resid 52 and name HA ) 3.0 1.0 1.2 ! A.3240 at 7.96e+06 assign (resid 52 and name HD2# ) (resid 52 and name HB1 ) 3.0 0.5 1.2 ! A.1099 at 7.01e+07 assign (resid 52 and name HB2 ) (resid 52 and name HD2# ) 3.0 0.5 1.2 ! A.1622 at 1.34e+07 assign (resid 52 and name HB2 ) (resid 54 and name HB# ) 4.0 1.5 2.0 ! A.3603 at 4.65e+06 assign (resid 52 and name HD2# ) (resid 54 and name HB# ) 3.0 0.5 1.7 ! A.3604 at 1.05e+07 assign (resid 52 and name HA ) (resid 55 and name HD1# ) 3.0 0.5 1.2 ! A.264 at 9.92e+06 ! L53 assign (resid 53 and name HG ) (resid 53 and name HA ) 2.7 0.5 0.7 ! A.197 at 1.47e+07 assign (resid 53 and name HD1# ) (resid 53 and name HA ) 2.7 0.5 1.2 ! A.3237 at 1.18e+07 assign (resid 53 and name HD1# ) (resid 53 and name HB# ) 2.7 0.5 1.7 ! A.3238 at 3.88e+07 assign (resid 53 and name HA ) (resid 53 and name HD2# ) 2.7 0.5 1.2 ! A.1559 at 3.77e+07 assign (resid 53 and name HD1# ) (resid 53 and name HB2 ) 2.7 0.5 1.2 ! A.1224 at 2.58e+07 assign (resid 53 and name HB2 ) (resid 54 and name HB# ) 4.5 2.0 2.5 ! A.1229 at 3.07e+06 assign (resid 53 and name HB2 ) (resid 54 and name HA ) 4.0 1.5 1.5 ! A.1184 at 3.65e+06 assign (resid 53 and name HB1 ) (resid 54 and name HA ) 4.5 2.0 2.0 ! A.1086 at 2.14e+06 assign (resid 53 and name HA ) (resid 57 and name HB1 ) 3.5 1.0 0.7 ! A.191 at 9.42e+06 assign (resid 53 and name HD2# ) (resid 57 and name HB2 ) 2.7 0.5 1.2 ! A.1586 at 2.54e+07 assign (resid 53 and name HA ) (resid 57 and name HB2 ) 4.5 2.0 2.0 ! A.192 at 3.44e+06 assign (resid 53 and name HG ) (resid 59 and name HG1 ) 4.5 2.0 2.0 ! A.1195 at 3.25e+06 assign (resid 53 and name HD1# ) (resid 59 and name HB1 ) 4.0 1.5 2.0 ! A.737 at 4.90e+06 assign (resid 53 and name HB1 ) (resid 59 and name HG2 ) 4.5 2.0 2.0 ! A.902 at 2.01e+06 assign (resid 53 and name HD1# ) (resid 59 and name HG2 ) 2.7 0.5 1.2 ! A.952 at 1.23e+07 ! A54 assign (resid 54 and name HB# ) (resid 55 and name HA ) 4.5 2.0 2.5 ! A.1351 at 3.10e+06 assign (resid 54 and name HB# ) (resid 55 and name HG ) 2.7 0.5 1.2 ! A.1196 at 9.64e+06 assign (resid 54 and name HA ) (resid 57 and name HD1# ) 4.0 1.5 2.0 ! A.2823 at 4.48e+06 assign (resid 54 and name HA ) (resid 57 and name HB2 ) 4.5 2.0 2.0 ! A.192 at 3.44e+06 ! L55 assign (resid 55 and name HA ) (resid 55 and name HG ) 2.7 0.5 0.7 ! A.28 at 1.44e+07 assign (resid 55 and name HA ) (resid 55 and name HD2# ) 4.0 1.5 2.0 ! A.1572 at 3.56e+06 assign (resid 55 and name HA ) (resid 55 and name HD1# ) 4.0 1.5 2.0 ! A.1572 at 3.56e+06 assign (resid 55 and name HB1 ) (resid 55 and name HD2# ) 2.7 0.5 1.2 ! A.1539 at 3.19e+07 assign (resid 55 and name HB2 ) (resid 55 and name HD2# ) 2.7 0.5 1.2 ! A.1539 at 3.19e+07 assign (resid 55 and name HB1 ) (resid 55 and name HD1# ) 2.7 0.5 1.2 ! A.1539 at 3.19e+07 assign (resid 55 and name HB2 ) (resid 55 and name HD1# ) 2.7 0.5 1.2 ! A.1539 at 3.19e+07 ! H56 assign (resid 56 and name HA ) (resid 57 and name HA ) 4.5 2.0 2.0 ! A.29 at 2.43e+06 assign (resid 56 and name HA ) (resid 57 and name HD1# ) 4.5 2.0 2.5 ! A.31 at 2.04e+06 assign (resid 56 and name HB2 ) (resid 57 and name HD1# ) 4.5 2.0 2.5 ! A.1568 at 2.51e+06 ! L57 assign (resid 57 and name HA ) (resid 57 and name HD2# ) 2.7 0.5 1.2 ! A.1567 at 3.21e+07 assign (resid 57 and name HA ) (resid 57 and name HD1# ) 2.7 0.5 1.2 ! A.1567 at 3.21e+07 assign (resid 57 and name HD1# ) (resid 57 and name HB1 ) 2.7 0.5 1.2 ! A.3233 at 1.91e+07 assign (resid 57 and name HA ) (resid 57 and name HG ) 2.7 0.5 0.7 ! A.1219 at 2.19e+07 assign (resid 57 and name HB2 ) (resid 57 and name HD2# ) 2.7 0.5 1.2 ! A.1556 at 1.93e+07 assign (resid 57 and name HB1 ) (resid 57 and name HD2# ) 2.7 0.5 1.2 ! A.1539 at 3.19e+07 assign (resid 57 and name HB2 ) (resid 57 and name HD1# ) 2.7 0.5 1.2 ! A.1539 at 3.19e+07 ! V58 assign (resid 58 and name HA ) (resid 58 and name HG1# ) 2.7 0.5 1.2 ! A.1522 at 2.55e+07 assign (resid 58 and name HG2# ) (resid 58 and name HA ) 2.7 0.5 1.2 ! A.3540 at 1.74e+07 assign (resid 58 and name HA ) (resid 59 and name HB2 ) 4.0 1.5 1.5 ! A.947 at 4.74e+06 assign (resid 58 and name HA ) (resid 59 and name HD1 ) 2.7 0.5 0.7 ! A.2539 at 2.74e+07 assign (resid 58 and name HA ) (resid 59 and name HD2 ) 2.7 0.5 0.7 ! A.2540 at 2.29e+07 assign (resid 58 and name HG2# ) (resid 59 and name HD1 ) 4.0 1.5 2.0 ! A.3541 at 5.91e+06 assign (resid 58 and name HG2# ) (resid 59 and name HD2 ) 4.0 1.5 2.0 ! A.3542 at 3.87e+06 assign (resid 58 and name HB ) (resid 59 and name HD2 ) 4.0 1.5 1.5 ! A.2988 at 5.09e+06 assign (resid 58 and name HB ) (resid 59 and name HD1 ) 4.0 1.5 1.5 ! A.2989 at 5.31e+06 assign (resid 58 and name HA ) (resid 59 and name HG1 ) 4.0 1.5 1.5 ! A.102 at 5.24e+06 assign (resid 58 and name HG1# ) (resid 59 and name HB2 ) 4.0 1.5 2.0 ! A.3441 at 4.07e+06 assign (resid 58 and name HG1# ) (resid 59 and name HD2 ) 3.5 0.5 1.2 ! A.3443 at 9.77e+06 assign (resid 58 and name HG1# ) (resid 59 and name HD1 ) 3.5 0.5 1.2 ! A.3444 at 1.07e+07 assign (resid 58 and name HG2# ) (resid 59 and name HB2 ) 4.5 2.0 2.5 ! A.1526 at 3.17e+06 assign (resid 58 and name HG2# ) (resid 59 and name HA ) 4.5 2.0 2.5 ! A.3630 at 2.36e+06 assign (resid 58 and name HG1# ) (resid 60 and name HA ) 4.0 1.5 2.0 ! A.1523 at 3.82e+06 assign (resid 58 and name HG1# ) (resid 60 and name HG# ) 3.5 1.0 1.7 ! A.1017 at 6.60e+06 assign (resid 58 and name HG2# ) (resid 60 and name HG# ) 3.5 1.0 1.7 ! A.3539 at 8.13e+06 ! P59 assign (resid 59 and name HD1 ) (resid 59 and name HA ) 2.7 0.5 0.7 ! A.2825 at 2.37e+07 assign (resid 59 and name HD1 ) (resid 59 and name HB1 ) 4.5 2.0 2.0 ! A.2826 at 3.21e+06 assign (resid 59 and name HD2 ) (resid 59 and name HA ) 3.0 0.5 0.7 ! A.2832 at 2.06e+07 assign (resid 59 and name HD2 ) (resid 59 and name HB1 ) 4.5 2.0 2.0 ! A.734 at 3.43e+06 assign (resid 59 and name HB2 ) (resid 59 and name HD1 ) 4.0 1.5 1.5 ! A.3027 at 5.92e+06 assign (resid 59 and name HB2 ) (resid 59 and name HD2 ) 4.0 1.5 1.5 ! A.3028 at 4.39e+06 assign (resid 59 and name HG2 ) (resid 59 and name HA ) 4.0 1.5 1.5 ! A.996 at 5.36e+06 assign (resid 59 and name HA ) (resid 59 and name HG1 ) 4.0 1.5 1.5 ! A.3627 at 5.31e+06 assign (resid 59 and name HA ) (resid 60 and name HA ) 4.0 1.5 1.5 ! A.116 at 5.75e+06 assign (resid 59 and name HB2 ) (resid 60 and name HA ) 4.5 2.0 2.0 ! A.86 at 2.69e+06 ! R60 assign (resid 60 and name HA ) (resid 60 and name HG# ) 2.7 0.5 1.2 ! A.1075 at 1.60e+07 assign (resid 60 and name HA ) (resid 60 and name HD# ) 4.0 1.5 2.0 ! A.518 at 6.41e+06 assign (resid 60 and name HB1 ) (resid 60 and name HD# ) 4.0 1.5 2.0 ! A.520 at 5.90e+06 assign (resid 60 and name HD# ) (resid 60 and name HB2 ) 2.7 0.5 1.2 ! A.980 at 2.24e+07 assign (resid 60 and name HA ) (resid 61 and name HA1 ) 4.0 1.5 1.5 ! A.281 at 4.27e+06 assign (resid 60 and name HA ) (resid 61 and name HA2 ) 4.5 2.0 2.0 ! A.170 at 2.67e+06 assign (resid 60 and name HA ) (resid 62 and name HB2 ) 4.0 1.5 1.5 ! A.401 at 3.84e+06 assign (resid 60 and name HD# ) (resid 63 and name HE# ) 4.5 2.0 3.0 ! A.528 at 1.46e+09 ! G61 assign (resid 61 and name HA2 ) (resid 62 and name HA ) 4.5 2.0 2.0 ! A.107 at 2.65e+06 assign (resid 61 and name HA1 ) (resid 62 and name HA ) 4.5 2.0 2.0 ! A.106 at 2.13e+06 ! S62 ! K63 assign (resid 63 and name HB1 ) (resid 63 and name HD# ) 2.7 0.5 1.2 ! A.2994 at 1.07e+07 assign (resid 63 and name HB2 ) (resid 63 and name HE# ) 4.5 2.0 2.5 ! A.2997 at 3.38e+06 assign (resid 63 and name HB2 ) (resid 63 and name HD# ) 2.7 0.5 1.2 ! A.2998 at 1.65e+07 assign (resid 63 and name HA ) (resid 63 and name HG1 ) 4.5 2.0 2.0 ! A.1265 at 2.89e+06 assign (resid 63 and name HA ) (resid 63 and name HG2 ) 4.5 2.0 2.0 ! A.1265 at 2.89e+06 assign (resid 63 and name HG2 ) (resid 65 and name HG12 ) 4.5 2.0 2.0 ! A.1415 at 2.87e+06 ! R64 assign (resid 64 and name HA ) (resid 64 and name HG# ) 2.7 0.5 1.2 ! A.1108 at 1.32e+07 assign (resid 64 and name HA ) (resid 64 and name HD# ) 4.0 1.5 2.0 ! A.523 at 5.79e+06 assign (resid 64 and name HB2 ) (resid 64 and name HD# ) 3.5 1.0 1.2 ! A.524 at 7.35e+06 assign (resid 64 and name HD# ) (resid 64 and name HB1 ) 2.7 0.5 1.2 ! A.980 at 2.24e+07 assign (resid 64 and name HB# ) (resid 65 and name HD1# ) 3.5 0.5 1.7 ! A.2547 at 1.02e+07 assign (resid 64 and name HG# ) (resid 65 and name HA ) 4.0 1.5 2.0 ! A.1107 at 3.51e+06 ! I65 assign (resid 65 and name HA ) (resid 65 and name HG11 ) 3.5 1.0 0.7 ! A.2500 at 8.32e+06 assign (resid 65 and name HA ) (resid 65 and name HG12 ) 2.7 0.5 0.7 ! A.2501 at 9.88e+06 assign (resid 65 and name HA ) (resid 65 and name HG2# ) 2.7 0.5 1.2 ! A.2502 at 2.05e+07 assign (resid 65 and name HA ) (resid 65 and name HD1# ) 2.7 0.5 1.2 ! A.2503 at 1.01e+07 assign (resid 65 and name HD1# ) (resid 65 and name HB ) 2.7 0.5 1.2 ! A.2542 at 1.41e+07 assign (resid 65 and name HG11 ) (resid 66 and name HA ) 4.5 2.0 2.0 ! A.1283 at 2.00e+06 assign (resid 65 and name HA ) (resid 67 and name HA1 ) 4.5 2.0 2.0 ! A.189 at 2.18e+06 assign (resid 65 and name HA ) (resid 67 and name HA2 ) 4.5 2.0 2.0 ! A.189 at 2.18e+06 assign (resid 65 and name HG2# ) (resid 68 and name HA ) 4.0 1.5 2.0 ! A.121 at 4.20e+06 ! S66 assign (resid 66 and name HA ) (resid 67 and name HA1 ) 4.0 1.5 1.5 ! A.312 at 4.26e+06 assign (resid 66 and name HA ) (resid 67 and name HA2 ) 4.0 1.5 1.5 ! A.312 at 4.26e+06 ! G67 assign (resid 67 and name HA1 ) (resid 68 and name HG ) 4.5 2.0 2.0 ! A.1106 at 3.50e+06 assign (resid 67 and name HA2 ) (resid 68 and name HG ) 4.5 2.0 2.0 ! A.1106 at 3.50e+06 assign (resid 67 and name HA2 ) (resid 68 and name HD2# ) 4.0 1.5 2.0 ! A.316 at 5.75e+06 ! L68 assign (resid 68 and name HG ) (resid 68 and name HA ) 4.5 2.0 2.0 ! A.98 at 2.04e+06 assign (resid 68 and name HD1# ) (resid 68 and name HB1 ) 2.7 0.5 1.2 ! A.1399 at 5.33e+07 assign (resid 68 and name HD1# ) (resid 68 and name HA ) 4.5 2.0 2.5 ! A.99 at 3.01e+06 assign (resid 68 and name HD2# ) (resid 68 and name HA ) 4.0 1.5 2.0 ! A.100 at 5.44e+06 assign (resid 68 and name HB2 ) (resid 68 and name HD2# ) 2.7 0.5 1.2 ! A.1556 at 1.93e+07 assign (resid 68 and name HB2 ) (resid 68 and name HD1# ) 2.7 0.5 1.2 ! A.1556 at 1.93e+07 assign (resid 68 and name HB1 ) (resid 68 and name HD2# ) 2.7 0.5 1.2 ! A.1555 at 3.83e+07 assign (resid 68 and name HB1 ) (resid 69 and name HG2# ) 4.0 1.5 2.0 ! A.2575 at 5.19e+06 assign (resid 68 and name HB1 ) (resid 71 and name HB# ) 4.5 2.0 2.5 ! A.897 at 3.24e+06 assign (resid 68 and name HB1 ) (resid 71 and name HA ) 3.5 1.0 0.7 ! A.233 at 8.28e+06 ! I69 assign (resid 69 and name HD1# ) (resid 69 and name HB ) 2.7 0.5 1.2 ! A.2546 at 1.05e+07 assign (resid 69 and name HG2# ) (resid 69 and name HA ) 2.7 0.5 1.2 ! A.2580 at 1.02e+07 assign (resid 69 and name HG2# ) (resid 70 and name HA ) 4.0 1.5 2.0 ! A.2579 at 4.25e+06 assign (resid 69 and name HG2# ) (resid 70 and name HD# ) 4.5 2.0 3.0 ! A.2581 at 2.55e+06 assign (resid 69 and name HD1# ) (resid 72 and name HG# ) 4.5 2.0 3.0 ! A.2548 at 3.39e+06 assign (resid 69 and name HG2# ) (resid 73 and name HG1# ) 2.7 0.5 1.7 ! A.2571 at 1.61e+07 assign (resid 69 and name HG2# ) (resid 73 and name HG2# ) 2.7 0.5 1.7 ! A.2572 at 1.88e+07 assign (resid 69 and name HG2# ) (resid 73 and name HB ) 4.5 2.0 2.5 ! A.2577 at 3.31e+06 assign (resid 69 and name HG2# ) (resid 73 and name HA ) 4.5 2.0 2.5 ! A.2578 at 2.31e+06 ! Y70 assign (resid 70 and name HB1 ) (resid 70 and name HE# ) 3.5 1.0 1.2 ! A.562 at 7.84e+06 assign (resid 70 and name HB1 ) (resid 70 and name HD# ) 4.5 2.0 2.5 ! A.2926 at 2.52e+06 assign (resid 70 and name HB2 ) (resid 70 and name HD# ) 4.0 1.5 2.0 ! A.2928 at 6.42e+06 assign (resid 70 and name HA ) (resid 70 and name HD# ) 3.5 1.0 1.2 ! A.3671 at 7.73e+06 assign (resid 70 and name HB# ) (resid 71 and name HA ) 4.5 2.0 2.5 ! A.498 at 3.21e+06 assign (resid 70 and name HD2 ) (resid 73 and name HG1# ) 4.0 1.5 2.0 ! A.3409 at 3.69e+06 assign (resid 70 and name HA ) (resid 73 and name HG2# ) 3.5 1.0 1.2 ! A.3675 at 6.94e+06 assign (resid 70 and name HA ) (resid 73 and name HB ) 4.0 1.5 1.5 ! A.3674 at 5.61e+06 assign (resid 70 and name HA ) (resid 73 and name HG1# ) 4.0 1.5 2.0 ! A.3676 at 5.55e+06 ! E71 assign (resid 71 and name HA ) (resid 71 and name HG1 ) 4.0 1.5 1.5 ! A.2523 at 4.03e+06 assign (resid 71 and name HA ) (resid 71 and name HG2 ) 4.0 1.5 1.5 ! A.2524 at 5.74e+06 assign (resid 71 and name HB# ) (resid 72 and name HG1 ) 4.5 2.0 2.5 ! A.898 at 2.73e+06 assign (resid 71 and name HA ) (resid 73 and name HG2# ) 4.5 2.0 2.5 ! A.236 at 2.14e+06 assign (resid 71 and name HB# ) (resid 74 and name HB1 ) 4.5 2.0 2.5 ! A.1159 at 2.63e+06 ! E72 assign (resid 72 and name HA ) (resid 72 and name HG2 ) 3.5 1.0 0.7 ! A.710 at 7.21e+06 assign (resid 72 and name HA ) (resid 73 and name HG2# ) 4.5 2.0 2.5 ! A.3410 at 3.11e+06 assign (resid 72 and name HG# ) (resid 73 and name HG2# ) 4.5 2.0 3.0 ! A.3412 at 3.11e+06 assign (resid 72 and name HB# ) (resid 73 and name HG2# ) 4.0 1.5 2.5 ! A.3414 at 5.82e+06 assign (resid 72 and name HB# ) (resid 73 and name HG1# ) 4.0 1.5 2.5 ! A.1503 at 5.27e+06 assign (resid 72 and name HA ) (resid 75 and name HB# ) 2.7 0.5 1.2 ! A.1174 at 1.80e+07 assign (resid 72 and name HB1 ) (resid 76 and name HG2# ) 4.0 1.5 2.0 ! A.3424 at 4.92e+06 assign (resid 72 and name HA ) (resid 76 and name HG1# ) 4.0 0.5 1.2 ! A.248 at 2.69e+07 ! V73 assign (resid 73 and name HG2# ) (resid 73 and name HA ) 2.7 0.5 1.2 ! A.3411 at 1.97e+07 assign (resid 73 and name HA ) (resid 73 and name HG1# ) 2.7 0.5 1.2 ! A.3587 at 1.57e+07 assign (resid 73 and name HG1# ) (resid 74 and name HA ) 3.5 1.0 1.2 ! A.2535 at 8.58e+06 assign (resid 73 and name HA ) (resid 74 and name HB1 ) 4.5 2.0 2.0 ! A.3070 at 2.91e+06 assign (resid 73 and name HA ) (resid 74 and name HB2 ) 4.5 2.0 2.0 ! A.3074 at 2.47e+06 assign (resid 73 and name HG1# ) (resid 74 and name HG# ) 3.0 0.5 1.7 ! A.3138 at 1.91e+07 assign (resid 73 and name HG2# ) (resid 74 and name HA ) 4.0 1.5 2.0 ! A.465 at 4.73e+06 assign (resid 73 and name HA ) (resid 76 and name HB ) 4.0 1.5 1.5 ! A.3582 at 5.75e+06 assign (resid 73 and name HG2# ) (resid 76 and name HG2# ) 3.5 1.0 1.7 ! A.1451 at 8.19e+06 assign (resid 73 and name HA ) (resid 76 and name HG2# ) 3.5 1.0 1.2 ! A.3584 at 6.66e+06 assign (resid 73 and name HG1# ) (resid 76 and name HG2# ) 4.0 1.0 1.7 ! A.3426 at 8.52e+06 assign (resid 73 and name HA ) (resid 76 and name HG1# ) 4.0 2.0 2.5 ! A.3585 at 2.65e+06 assign (resid 73 and name HB ) (resid 76 and name HG1# ) 4.0 1.5 2.0 ! A.793 at 3.61e+06 assign (resid 73 and name HG1# ) (resid 76 and name HG1# ) 2.7 0.5 1.7 ! A.3439 at 1.95e+07 assign (resid 73 and name HG1# ) (resid 77 and name HG ) 2.7 0.5 1.2 ! A.3127 at 1.44e+07 assign (resid 73 and name HA ) (resid 77 and name HG ) 4.5 2.0 2.0 ! A.467 at 2.89e+06 assign (resid 73 and name HB ) (resid 77 and name HD1# ) 4.0 1.5 2.0 ! A.3191 at 3.57e+06 assign (resid 73 and name HG2# ) (resid 77 and name HD1# ) 2.7 0.5 1.7 ! A.1601 at 2.70e+07 assign (resid 73 and name HG1# ) (resid 77 and name HD1# ) 2.7 0.5 1.7 ! A.3198 at 2.75e+07 assign (resid 73 and name HB ) (resid 77 and name HD2# ) 4.5 2.0 2.5 ! A.790 at 2.87e+06 assign (resid 73 and name HA ) (resid 77 and name HD2# ) 4.5 2.0 2.5 ! A.3249 at 2.55e+06 assign (resid 73 and name HG1# ) (resid 77 and name HD2# ) 2.7 0.5 1.7 ! A.3255 at 2.10e+07 ! R74 assign (resid 74 and name HA ) (resid 74 and name HD# ) 4.0 1.5 2.0 ! A.2529 at 3.53e+06 assign (resid 74 and name HA ) (resid 74 and name HG# ) 2.7 0.5 1.2 ! A.2532 at 1.58e+07 assign (resid 74 and name HB1 ) (resid 74 and name HD# ) 4.0 1.5 2.0 ! A.3067 at 5.27e+06 assign (resid 74 and name HB2 ) (resid 74 and name HD# ) 4.0 1.5 2.0 ! A.3072 at 4.03e+06 assign (resid 74 and name HD1 ) (resid 74 and name HB2 ) 3.5 1.0 0.7 ! A.1382 at 9.48e+06 assign (resid 74 and name HD2 ) (resid 74 and name HB2 ) 3.5 1.0 0.7 ! A.1382 at 9.48e+06 assign (resid 74 and name HD1 ) (resid 74 and name HB1 ) 2.7 0.5 0.7 ! A.1157 at 1.96e+07 assign (resid 74 and name HD2 ) (resid 74 and name HB1 ) 2.7 0.5 0.7 ! A.1157 at 1.96e+07 assign (resid 74 and name HB1 ) (resid 75 and name HA ) 4.0 1.5 1.5 ! A.3066 at 3.69e+06 assign (resid 74 and name HG# ) (resid 75 and name HA ) 4.0 1.5 2.0 ! A.1134 at 6.37e+06 assign (resid 74 and name HA ) (resid 77 and name HG ) 3.5 1.0 0.7 ! A.2530 at 6.67e+06 assign (resid 74 and name HA ) (resid 77 and name HD1# ) 4.0 1.5 2.0 ! A.3203 at 3.59e+06 assign (resid 74 and name HA ) (resid 77 and name HB1 ) 4.5 2.0 2.0 ! A.461 at 2.34e+06 assign (resid 74 and name HB2 ) (resid 77 and name HB2 ) 4.5 2.0 2.0 ! A.1383 at 2.66e+06 assign (resid 74 and name HB1 ) (resid 77 and name HB2 ) 4.5 2.0 2.0 ! A.1138 at 2.21e+06 assign (resid 74 and name HA ) (resid 77 and name HD2# ) 4.5 2.0 2.5 ! A.3264 at 3.02e+06 ! A75 assign (resid 75 and name HB# ) (resid 76 and name HA ) 4.5 2.0 2.5 ! A.3601 at 2.65e+06 assign (resid 75 and name HB# ) (resid 76 and name HB ) 4.0 1.5 2.0 ! A.1618 at 4.40e+06 assign (resid 75 and name HB# ) (resid 76 and name HG2# ) 3.5 1.0 1.7 ! A.1457 at 8.69e+06 assign (resid 75 and name HA ) (resid 77 and name HB2 ) 4.0 1.0 1.0 ! A.233 at 8.28e+06 assign (resid 75 and name HB# ) (resid 78 and name HB2 ) 4.0 1.5 2.0 ! A.3613 at 5.93e+06 assign (resid 75 and name HA ) (resid 78 and name HB1 ) 4.0 1.5 1.5 ! A.258 at 4.11e+06 assign (resid 75 and name HB# ) (resid 78 and name HG2 ) 3.5 0.5 1.2 ! A.1332 at 9.85e+06 assign (resid 75 and name HA ) (resid 78 and name HD# ) 4.0 1.5 2.0 ! A.1134 at 6.37e+06 assign (resid 75 and name HA ) (resid 78 and name HB2 ) 3.0 0.5 0.7 ! A.869 at 9.97e+06 assign (resid 75 and name HB# ) (resid 78 and name HD# ) 4.5 2.0 3.0 ! A.1213 at 2.22e+06 assign (resid 75 and name HB# ) (resid 78 and name HB1 ) 3.5 1.0 1.2 ! A.877 at 6.61e+06 ! V76 assign (resid 76 and name HG2# ) (resid 76 and name HA ) 2.7 0.5 1.2 ! A.3422 at 2.88e+07 assign (resid 76 and name HA ) (resid 76 and name HG1# ) 2.7 0.5 1.2 ! A.3599 at 1.69e+07 assign (resid 76 and name HG2# ) (resid 77 and name HA ) 4.5 2.0 2.5 ! A.134 at 2.74e+06 assign (resid 76 and name HG1# ) (resid 77 and name HG ) 3.5 1.0 1.2 ! A.946 at 7.63e+06 assign (resid 76 and name HG1# ) (resid 77 and name HA ) 4.0 1.5 2.0 ! A.1443 at 4.68e+06 assign (resid 76 and name HG2# ) (resid 78 and name HG# ) 4.0 1.5 2.5 ! A.3164 at 4.23e+06 ! L77 assign (resid 77 and name HA ) (resid 77 and name HD1# ) 2.7 0.5 1.2 ! A.1439 at 1.81e+07 assign (resid 77 and name HG ) (resid 77 and name HA ) 2.7 0.5 0.7 ! A.941 at 7.11e+07 assign (resid 77 and name HD1# ) (resid 77 and name HB2 ) 2.7 0.5 1.2 ! A.3193 at 3.38e+07 assign (resid 77 and name HD1# ) (resid 77 and name HB1 ) 2.7 0.5 1.2 ! A.3195 at 1.29e+07 assign (resid 77 and name HD2# ) (resid 77 and name HB1 ) 2.7 0.5 1.2 ! A.3252 at 3.91e+07 assign (resid 77 and name HD2# ) (resid 77 and name HB2 ) 4.5 2.0 2.5 ! A.1142 at 2.13e+06 assign (resid 77 and name HD2# ) (resid 77 and name HA ) 4.0 2.0 2.5 ! A.3260 at 1.95e+06 assign (resid 77 and name HB1 ) (resid 78 and name HB1 ) 4.5 2.0 2.0 ! A.835 at 2.02e+06 assign (resid 77 and name HD1# ) (resid 80 and name HD2 ) 3.5 1.0 1.2 ! A.3190 at 6.85e+06 assign (resid 77 and name HD1# ) (resid 80 and name HB# ) 4.5 2.0 3.0 ! A.3204 at 2.62e+06 assign (resid 77 and name HD1# ) (resid 80 and name HE2 ) 4.0 1.5 2.0 ! A.3206 at 4.91e+06 assign (resid 77 and name HD2# ) (resid 80 and name HD2 ) 4.0 1.5 2.0 ! A.1442 at 6.35e+06 assign (resid 77 and name HD2# ) (resid 80 and name HB# ) 4.0 1.5 2.5 ! A.3250 at 3.57e+06 assign (resid 77 and name HD2# ) (resid 80 and name HE2 ) 4.0 1.5 2.0 ! A.3258 at 5.35e+06 assign (resid 77 and name HD2# ) (resid 80 and name HZ ) 4.5 2.0 2.5 ! A.3259 at 2.55e+06 assign (resid 77 and name HA ) (resid 80 and name HB1 ) 4.0 1.5 1.5 ! A.130 at 5.61e+06 assign (resid 77 and name HA ) (resid 80 and name HB2 ) 4.0 1.5 1.5 ! A.130 at 5.61e+06 assign (resid 77 and name HA ) (resid 81 and name HD1# ) 4.0 1.5 2.0 ! A.1597 at 3.57e+06 assign (resid 77 and name HB1 ) (resid 81 and name HB2 ) 4.5 2.0 2.0 ! A.1394 at 2.59e+06 assign (resid 77 and name HB2 ) (resid 81 and name HD1# ) 2.7 0.5 1.2 ! A.3166 at 1.54e+07 assign (resid 77 and name HD2# ) (resid 81 and name HD1# ) 2.7 0.5 1.7 ! A.3168 at 1.28e+07 assign (resid 77 and name HD1# ) (resid 81 and name HD1# ) 3.5 1.0 1.7 ! A.3169 at 7.32e+06 assign (resid 77 and name HB1 ) (resid 81 and name HD1# ) 4.0 1.5 2.0 ! A.1588 at 5.02e+06 assign (resid 77 and name HB1 ) (resid 81 and name HD2# ) 4.0 1.5 2.0 ! A.1588 at 5.02e+06 ! K78 assign (resid 78 and name HB2 ) (resid 78 and name HD# ) 2.7 0.5 1.2 ! A.1147 at 2.99e+07 assign (resid 78 and name HB2 ) (resid 78 and name HE1 ) 4.5 2.0 2.0 ! A.606 at 2.79e+06 assign (resid 78 and name HB1 ) (resid 78 and name HE1 ) 4.5 2.0 2.0 ! A.606 at 2.79e+06 assign (resid 78 and name HB1 ) (resid 78 and name HD# ) 2.7 0.5 1.2 ! A.1146 at 1.09e+07 assign (resid 78 and name HG# ) (resid 78 and name HA ) 4.0 1.5 2.0 ! A.3160 at 4.95e+06 assign (resid 78 and name HG# ) (resid 78 and name HE# ) 3.5 1.5 1.0 ! A.3161 at 3.69e+06 assign (resid 78 and name HA ) (resid 78 and name HD# ) 4.0 1.5 2.0 ! A.3687 at 4.96e+06 assign (resid 78 and name HE1 ) (resid 78 and name HG1 ) 2.7 0.5 0.7 ! A.1329 at 2.70e+07 assign (resid 78 and name HE1 ) (resid 78 and name HG2 ) 2.7 0.5 0.7 ! A.1329 at 2.70e+07 assign (resid 78 and name HE2 ) (resid 78 and name HB1 ) 3.5 1.0 1.0 ! A.871 at 7.38e+06 assign (resid 78 and name HE2 ) (resid 78 and name HG1 ) 2.7 0.5 0.7 ! A.1330 at 2.86e+07 assign (resid 78 and name HE2 ) (resid 78 and name HG2 ) 2.7 0.5 0.7 ! A.1330 at 2.86e+07 assign (resid 78 and name HE2 ) (resid 78 and name HB2 ) 3.5 0.5 0.7 ! A.894 at 1.20e+07 assign (resid 78 and name HG1 ) (resid 78 and name HA ) 2.7 0.5 0.7 ! A.385 at 1.45e+07 assign (resid 78 and name HG2 ) (resid 78 and name HA ) 2.7 0.5 0.7 ! A.385 at 1.45e+07 assign (resid 78 and name HA ) (resid 81 and name HD1# ) 3.5 1.0 1.2 ! A.3690 at 7.57e+06 assign (resid 78 and name HE1 ) (resid 82 and name HG2 ) 4.5 2.0 2.0 ! A.605 at 2.28e+06 assign (resid 78 and name HE2 ) (resid 82 and name HG1 ) 2.7 0.5 0.7 ! A.692 at 1.96e+07 assign (resid 78 and name HE1 ) (resid 82 and name HG1 ) 2.7 0.5 0.7 ! A.692 at 1.96e+07 assign (resid 78 and name HE2 ) (resid 82 and name HG2 ) 4.5 2.0 2.0 ! A.605 at 2.28e+06 assign (resid 78 and name HB2 ) (resid 82 and name HG2 ) 4.5 2.0 2.0 ! A.694 at 2.43e+06 assign (resid 78 and name HB1 ) (resid 82 and name HG1 ) 4.5 2.0 2.0 ! A.694 at 2.43e+06 ! S79 assign (resid 79 and name HB# ) (resid 80 and name HA ) 4.0 1.5 2.0 ! A.311 at 4.29e+06 ! F80 assign (resid 80 and name HA ) (resid 80 and name HD# ) 2.7 0.5 1.2 ! A.2507 at 1.56e+07 assign (resid 80 and name HA ) (resid 80 and name HE# ) 4.0 1.5 2.0 ! A.2508 at 3.91e+06 assign (resid 80 and name HB# ) (resid 80 and name HD# ) 2.7 0.5 1.7 ! A.2903 at 1.15e+07 assign (resid 80 and name HB# ) (resid 80 and name HZ ) 4.5 2.0 2.5 ! A.2905 at 2.75e+06 assign (resid 80 and name HB# ) (resid 81 and name HG ) 4.5 2.0 2.5 ! A.2906 at 2.49e+06 assign (resid 80 and name HB1 ) (resid 81 and name HD1# ) 4.5 2.0 2.5 ! A.1598 at 2.36e+06 assign (resid 80 and name HE2 ) (resid 81 and name HD1# ) 4.5 2.0 2.5 ! A.3170 at 3.23e+06 assign (resid 80 and name HD2 ) (resid 81 and name HD1# ) 4.5 2.0 2.5 ! A.3171 at 2.68e+06 assign (resid 80 and name HA ) (resid 83 and name HB# ) 3.5 1.0 1.2 ! A.2506 at 6.98e+06 assign (resid 80 and name HE# ) (resid 84 and name HG1# ) 2.7 0.5 1.7 ! A.3400 at 1.51e+07 assign (resid 80 and name HD# ) (resid 84 and name HG1# ) 4.0 1.5 2.5 ! A.3401 at 5.72e+06 assign (resid 80 and name HA ) (resid 84 and name HG1# ) 4.5 2.0 2.5 ! A.3402 at 3.21e+06 assign (resid 80 and name HE# ) (resid 84 and name HG2# ) 4.5 2.0 3.0 ! A.3430 at 3.29e+06 assign (resid 80 and name HZ ) (resid 108 and name HB# ) 4.0 1.5 2.0 ! A.3533 at 4.64e+06 assign (resid 80 and name HE# ) (resid 108 and name HB# ) 4.0 1.5 2.5 ! A.3532 at 3.68e+06 ! L81 assign (resid 81 and name HA ) (resid 81 and name HG ) 3.5 1.0 0.7 ! A.2775 at 7.79e+06 assign (resid 81 and name HA ) (resid 81 and name HD2# ) 2.7 0.5 1.2 ! A.1587 at 2.76e+07 assign (resid 81 and name HD1# ) (resid 81 and name HB2 ) 2.7 0.5 1.2 ! A.3167 at 1.26e+07 assign (resid 81 and name HD1# ) (resid 81 and name HA ) 4.0 1.5 2.0 ! A.3173 at 4.64e+06 assign (resid 81 and name HD1# ) (resid 81 and name HB1 ) 2.7 0.5 1.2 ! A.3175 at 1.33e+07 assign (resid 81 and name HD2# ) (resid 81 and name HB2 ) 2.7 0.5 1.2 ! A.1400 at 2.76e+07 assign (resid 81 and name HD2# ) (resid 81 and name HB1 ) 3.5 1.0 1.2 ! A.854 at 7.39e+06 assign (resid 81 and name HB2 ) (resid 82 and name HB2 ) 4.5 2.0 2.0 ! A.1397 at 2.62e+06 assign (resid 81 and name HA ) (resid 84 and name HB ) 3.5 1.0 0.7 ! A.2774 at 9.11e+06 assign (resid 81 and name HA ) (resid 84 and name HG2# ) 3.5 1.0 1.2 ! A.471 at 6.87e+06 assign (resid 81 and name HA ) (resid 84 and name HG1# ) 3.5 1.0 1.2 ! A.470 at 8.32e+06 assign (resid 81 and name HA ) (resid 84 and name HB ) 3.5 1.0 0.7 ! A.3003 at 6.56e+06 assign (resid 81 and name HG ) (resid 84 and name HB ) 4.5 2.0 2.0 ! A.972 at 2.87e+06 assign (resid 81 and name HA ) (resid 85 and name HG11 ) 4.5 2.0 2.0 ! A.1148 at 3.12e+06 assign (resid 81 and name HD2# ) (resid 85 and name HD1# ) 2.7 0.5 1.7 ! A.3693 at 1.57e+07 assign (resid 81 and name HD1# ) (resid 85 and name HD1# ) 2.7 0.5 1.7 ! A.3694 at 1.48e+07 assign (resid 81 and name HB2 ) (resid 85 and name HD1# ) 3.5 1.0 1.2 ! A.3696 at 6.82e+06 assign (resid 81 and name HB1 ) (resid 85 and name HD1# ) 3.5 1.0 1.2 ! A.3699 at 8.93e+06 assign (resid 81 and name HA ) (resid 105 and name HG1# ) 4.0 1.5 2.0 ! A.472 at 5.40e+06 ! E82 assign (resid 82 and name HA ) (resid 82 and name HG2 ) 3.5 1.0 0.7 ! A.2510 at 8.44e+06 assign (resid 82 and name HA ) (resid 82 and name HG1 ) 4.0 1.5 1.5 ! A.445 at 5.07e+06 assign (resid 82 and name HA ) (resid 85 and name HG11 ) 4.0 1.5 1.5 ! A.2512 at 6.50e+06 assign (resid 82 and name HA ) (resid 85 and name HG12 ) 4.0 1.0 1.0 ! A.2513 at 8.76e+06 assign (resid 82 and name HA ) (resid 85 and name HD1# ) 4.0 1.5 2.0 ! A.2514 at 4.29e+06 assign (resid 82 and name HA ) (resid 85 and name HG2# ) 4.5 2.0 2.5 ! A.443 at 2.24e+06 assign (resid 82 and name HA ) (resid 85 and name HB ) 4.5 2.0 2.0 ! A.2931 at 2.53e+06 assign (resid 82 and name HA ) (resid 86 and name HG1 ) 4.5 2.0 2.0 ! A.1005 at 3.14e+06 ! S83 assign (resid 83 and name HB# ) (resid 84 and name HA ) 4.5 2.0 2.5 ! A.3581 at 2.52e+06 assign (resid 83 and name HB2 ) (resid 108 and name HB# ) 4.0 1.5 2.0 ! A.3537 at 4.39e+06 ! V84 assign (resid 84 and name HG1# ) (resid 84 and name HA ) 4.0 1.5 2.0 ! A.3405 at 5.29e+06 assign (resid 84 and name HG2# ) (resid 84 and name HA ) 2.7 0.5 1.2 ! A.3431 at 1.61e+07 assign (resid 84 and name HB ) (resid 85 and name HB ) 4.5 2.0 2.0 ! A.1239 at 2.49e+06 assign (resid 84 and name HB ) (resid 85 and name HG12 ) 4.5 2.0 2.0 ! A.3004 at 3.19e+06 assign (resid 84 and name HB ) (resid 85 and name HG11 ) 4.5 2.0 2.0 ! A.1065 at 2.99e+06 assign (resid 84 and name HG1# ) (resid 85 and name HG11 ) 3.5 1.0 1.2 ! A.3396 at 9.12e+06 assign (resid 84 and name HA ) (resid 85 and name HG12 ) 4.5 2.0 2.0 ! A.3576 at 2.61e+06 assign (resid 84 and name HA ) (resid 87 and name HB2 ) 4.5 2.0 2.0 ! A.2896 at 3.17e+06 assign (resid 84 and name HA ) (resid 87 and name HB1 ) 4.0 1.5 1.5 ! A.3579 at 6.33e+06 assign (resid 84 and name HG1# ) (resid 87 and name HB1 ) 4.5 2.0 2.5 ! A.3406 at 3.14e+06 assign (resid 84 and name HG1# ) (resid 87 and name HB2 ) 3.5 1.0 1.2 ! A.3407 at 6.85e+06 assign (resid 84 and name HG1# ) (resid 105 and name HG2# ) 2.7 0.5 1.7 ! A.3398 at 3.04e+07 assign (resid 84 and name HG1# ) (resid 105 and name HA ) 4.0 1.5 2.0 ! A.3593 at 5.02e+06 assign (resid 84 and name HG2# ) (resid 105 and name HG2# ) 4.0 1.5 2.5 ! A.3428 at 4.64e+06 assign (resid 84 and name HG2# ) (resid 105 and name HG1# ) 2.7 0.5 1.7 ! A.1660 at 2.96e+07 assign (resid 84 and name HA ) (resid 105 and name HA ) 4.5 2.0 2.0 ! A.3594 at 2.24e+06 assign (resid 84 and name HG1# ) (resid 105 and name HG1# ) 2.7 0.5 1.7 ! A.1697 at 1.27e+07 assign (resid 84 and name HG2# ) (resid 108 and name HA ) 4.0 1.5 2.0 ! A.326 at 6.46e+06 assign (resid 84 and name HG2# ) (resid 108 and name HB# ) 3.5 1.0 1.7 ! A.3538 at 6.89e+06 assign (resid 84 and name HA ) (resid 108 and name HB# ) 2.7 0.5 1.2 ! A.3578 at 1.01e+07 assign (resid 84 and name HB ) (resid 108 and name HB# ) 4.0 1.5 2.0 ! A.1241 at 5.53e+06 assign (resid 84 and name HG1# ) (resid 108 and name HB# ) 2.7 0.5 1.7 ! A.1705 at 2.29e+07 assign (resid 84 and name HG2# ) (resid 109 and name HA ) 4.5 2.0 2.5 ! A.1701 at 2.97e+06 assign (resid 84 and name HG2# ) (resid 109 and name HB2 ) 4.5 2.0 2.5 ! A.3432 at 3.49e+06 assign (resid 84 and name HG2# ) (resid 109 and name HG ) 4.0 1.5 2.0 ! A.3433 at 6.39e+06 ! I85 assign (resid 85 and name HB ) (resid 85 and name HD1# ) 4.0 1.5 2.0 ! A.2932 at 5.96e+06 assign (resid 85 and name HG11 ) (resid 85 and name HA ) 4.5 2.0 2.0 ! A.466 at 2.99e+06 assign (resid 85 and name HA ) (resid 85 and name HG2# ) 3.5 1.0 1.2 ! A.3543 at 6.83e+06 assign (resid 85 and name HA ) (resid 85 and name HG12 ) 4.0 1.5 1.5 ! A.3551 at 6.48e+06 assign (resid 85 and name HA ) (resid 85 and name HD1# ) 3.5 1.0 1.2 ! A.3552 at 7.39e+06 assign (resid 85 and name HA ) (resid 88 and name HA ) 4.0 1.5 1.5 ! A.3549 at 5.04e+06 assign (resid 85 and name HD1# ) (resid 89 and name HG1# ) 4.0 1.5 2.5 ! A.3367 at 5.50e+06 assign (resid 85 and name HG2# ) (resid 89 and name HG1# ) 3.5 1.0 1.7 ! A.3368 at 8.34e+06 assign (resid 85 and name HG2# ) (resid 89 and name HG2# ) 4.0 2.0 2.5 ! A.3658 at 6.02e+06 assign (resid 85 and name HG2# ) (resid 100 and name HG1# ) 4.5 2.0 3.0 ! A.1712 at 2.00e+06 assign (resid 85 and name HA ) (resid 100 and name HG1# ) 4.5 2.0 2.5 ! A.3486 at 3.13e+06 assign (resid 85 and name HG12 ) (resid 100 and name HG1# ) 4.0 1.5 2.0 ! A.1631 at 4.20e+06 ! R86 assign (resid 86 and name HD2 ) (resid 86 and name HB1 ) 4.0 1.5 1.5 ! A.839 at 4.44e+06 assign (resid 86 and name HD1 ) (resid 86 and name HB1 ) 4.0 1.5 1.5 ! A.838 at 4.43e+06 assign (resid 86 and name HD1 ) (resid 86 and name HB2 ) 4.0 1.5 1.5 ! A.882 at 6.18e+06 assign (resid 86 and name HD2 ) (resid 86 and name HB2 ) 4.0 1.5 1.5 ! A.883 at 6.33e+06 assign (resid 86 and name HA ) (resid 89 and name HG1# ) 4.0 1.5 2.0 ! A.3371 at 6.35e+06 ! D87 assign (resid 87 and name HA ) (resid 90 and name HG2# ) 4.5 2.0 2.5 ! A.1444 at 2.04e+06 assign (resid 87 and name HA ) (resid 90 and name HB ) 2.7 0.5 0.7 ! A.3415 at 9.85e+06 assign (resid 87 and name HB1 ) (resid 104 and name HB1 ) 4.5 2.0 2.0 ! A.648 at 2.48e+06 assign (resid 87 and name HB1 ) (resid 108 and name HA ) 4.5 2.0 2.0 ! A.321 at 3.00e+06 assign (resid 87 and name HB1 ) (resid 108 and name HB# ) 2.7 0.5 1.2 ! A.651 at 1.66e+07 assign (resid 87 and name HB2 ) (resid 108 and name HB# ) 2.7 0.5 1.2 ! A.675 at 1.52e+07 assign (resid 87 and name HB2 ) (resid 108 and name HA ) 4.0 1.5 1.5 ! A.673 at 5.83e+06 assign (resid 87 and name HA ) (resid 108 and name HB# ) 4.5 2.0 2.5 ! A.3534 at 2.98e+06 assign (resid 87 and name HA ) (resid 111 and name HD1 ) 4.5 2.0 2.0 ! A.540 at 2.19e+06 assign (resid 87 and name HB1 ) (resid 111 and name HD1 ) 2.7 0.5 0.7 ! A.647 at 1.04e+07 ! S88 assign (resid 88 and name HB2 ) (resid 100 and name HG2# ) 3.5 1.0 1.2 ! A.3564 at 7.50e+06 assign (resid 88 and name HB1 ) (resid 100 and name HG2# ) 3.5 1.0 1.2 ! A.3573 at 6.79e+06 ! V89 assign (resid 89 and name HG1# ) (resid 89 and name HA ) 2.7 0.5 1.2 ! A.3370 at 1.94e+07 assign (resid 89 and name HG2# ) (resid 89 and name HA ) 2.7 0.5 1.2 ! A.3450 at 1.85e+07 assign (resid 89 and name HG1# ) (resid 90 and name HB ) 4.5 2.0 2.5 ! A.3359 at 2.91e+06 assign (resid 89 and name HG1# ) (resid 90 and name HA ) 4.0 1.5 2.0 ! A.3548 at 3.78e+06 assign (resid 89 and name HG2# ) (resid 92 and name HB ) 4.5 2.0 2.5 ! A.3420 at 3.21e+06 assign (resid 89 and name HA ) (resid 92 and name HG2# ) 3.5 1.0 1.2 ! A.3553 at 6.98e+06 assign (resid 89 and name HA ) (resid 92 and name HB ) 3.0 0.5 0.7 ! A.3560 at 1.39e+07 assign (resid 89 and name HB ) (resid 93 and name HG1 ) 4.5 2.0 2.0 ! A.696 at 2.08e+06 assign (resid 89 and name HG2# ) (resid 93 and name HA ) 4.5 1.5 2.0 ! A.3449 at 3.61e+06 assign (resid 89 and name HG1# ) (resid 93 and name HB1 ) 4.0 1.5 2.0 ! A.1498 at 3.72e+06 assign (resid 89 and name HG1# ) (resid 93 and name HB2 ) 4.0 1.5 2.0 ! A.1498 at 3.72e+06 assign (resid 89 and name HG1# ) (resid 100 and name HG2# ) 4.0 1.0 1.7 ! A.3369 at 1.42e+07 assign (resid 89 and name HG2# ) (resid 100 and name HA ) 4.0 1.5 2.0 ! A.3447 at 5.04e+06 assign (resid 89 and name HG2# ) (resid 100 and name HG2# ) 3.5 1.0 1.7 ! A.3451 at 7.66e+06 assign (resid 89 and name HA ) (resid 100 and name HG2# ) 4.0 1.5 2.0 ! A.3554 at 5.26e+06 assign (resid 89 and name HB ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.3566 at 2.91e+06 ! T90 assign (resid 90 and name HG2# ) (resid 90 and name HA ) 2.7 0.5 1.2 ! A.3458 at 3.51e+07 assign (resid 90 and name HA ) (resid 93 and name HB2 ) 4.0 1.5 1.5 ! A.3546 at 6.36e+06 assign (resid 90 and name HA ) (resid 93 and name HB1 ) 4.0 1.5 1.5 ! A.3108 at 5.06e+06 assign (resid 90 and name HG2# ) (resid 93 and name HB2 ) 4.5 2.0 2.5 ! A.1397 at 2.62e+06 assign (resid 90 and name HG2# ) (resid 94 and name HB2 ) 4.5 2.0 2.5 ! A.1445 at 2.37e+06 ! Y91 assign (resid 91 and name HB1 ) (resid 91 and name HD# ) 4.0 1.5 2.0 ! A.2921 at 6.06e+06 assign (resid 91 and name HB2 ) (resid 91 and name HD# ) 4.0 1.5 2.0 ! A.2925 at 5.31e+06 assign (resid 91 and name HB2 ) (resid 104 and name HB1 ) 4.5 2.0 2.0 ! A.533 at 2.15e+06 assign (resid 91 and name HB1 ) (resid 104 and name HA ) 4.5 2.0 2.0 ! A.205 at 3.17e+06 assign (resid 91 and name HB1 ) (resid 104 and name HB1 ) 4.5 2.0 2.0 ! A.576 at 3.18e+06 assign (resid 91 and name HB2 ) (resid 104 and name HA ) 4.5 2.0 2.0 ! A.532 at 2.85e+06 ! T92 assign (resid 92 and name HG2# ) (resid 92 and name HA ) 2.7 0.5 1.2 ! A.3502 at 2.57e+07 assign (resid 92 and name HB ) (resid 93 and name HA ) 4.0 1.5 1.5 ! A.2553 at 4.07e+06 assign (resid 92 and name HG2# ) (resid 93 and name HA ) 4.0 1.5 2.0 ! A.3499 at 4.73e+06 assign (resid 92 and name HA ) (resid 93 and name HA ) 4.5 2.0 2.0 ! A.459 at 2.12e+06 assign (resid 92 and name HG2# ) (resid 93 and name HG1 ) 4.5 2.0 2.5 ! A.700 at 3.39e+06 assign (resid 92 and name HG2# ) (resid 95 and name HB# ) 3.5 1.0 1.7 ! A.3507 at 6.63e+06 assign (resid 92 and name HA ) (resid 95 and name HB# ) 3.5 1.0 1.2 ! A.41 at 9.22e+06 assign (resid 92 and name HG2# ) (resid 97 and name HB2 ) 4.0 1.5 2.0 ! A.2955 at 5.87e+06 assign (resid 92 and name HG2# ) (resid 97 and name HB1 ) 4.0 1.5 2.0 ! A.2956 at 5.93e+06 assign (resid 92 and name HG2# ) (resid 97 and name HG# ) 4.5 2.0 3.0 ! A.3049 at 3.04e+06 assign (resid 92 and name HG2# ) (resid 97 and name HA ) 4.0 1.5 2.0 ! A.3497 at 4.99e+06 assign (resid 92 and name HG2# ) (resid 97 and name HD# ) 4.0 1.5 2.5 ! A.3503 at 4.42e+06 assign (resid 92 and name HG2# ) (resid 97 and name HB# ) 2.7 0.5 1.7 ! A.3505 at 1.90e+07 assign (resid 92 and name HG2# ) (resid 98 and name HA ) 2.7 0.5 1.2 ! A.3498 at 1.07e+07 assign (resid 92 and name HG2# ) (resid 98 and name HB1 ) 4.0 1.5 2.0 ! A.3504 at 4.41e+06 assign (resid 92 and name HG2# ) (resid 99 and name HG2# ) 2.7 0.5 1.7 ! A.3509 at 1.11e+07 assign (resid 92 and name HB ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.3418 at 3.07e+06 assign (resid 92 and name HG2# ) (resid 100 and name HA ) 3.0 0.5 1.2 ! A.3683 at 1.69e+07 assign (resid 92 and name HG2# ) (resid 100 and name HG1# ) 3.5 1.0 1.7 ! A.3510 at 7.01e+06 assign (resid 92 and name HG2# ) (resid 100 and name HG2# ) 3.0 0.5 1.7 ! A.3511 at 2.66e+07 assign (resid 92 and name HG2# ) (resid 101 and name HG2# ) 3.5 1.0 1.7 ! A.3508 at 8.76e+06 assign (resid 92 and name HA ) (resid 101 and name HG2# ) 4.5 2.0 2.5 ! A.3473 at 2.92e+06 ! E93 assign (resid 93 and name HA ) (resid 93 and name HG1 ) 2.7 0.5 0.7 ! A.2555 at 1.15e+07 assign (resid 93 and name HA ) (resid 93 and name HG2 ) 2.7 0.5 0.7 ! A.2556 at 2.15e+07 assign (resid 93 and name HA ) (resid 94 and name HA ) 4.5 2.0 2.0 ! A.111 at 2.22e+06 assign (resid 93 and name HB1 ) (resid 94 and name HA ) 4.5 2.0 2.0 ! A.795 at 2.05e+06 assign (resid 93 and name HB2 ) (resid 94 and name HA ) 4.5 2.0 2.0 ! A.795 at 2.05e+06 assign (resid 93 and name HA ) (resid 96 and name HA ) 4.5 2.0 2.0 ! A.378 at 2.10e+06 assign (resid 93 and name HB1 ) (resid 96 and name HA ) 3.5 1.0 1.0 ! A.380 at 7.52e+06 ! H94 assign (resid 94 and name HA ) (resid 95 and name HB# ) 4.5 2.0 2.5 ! A.1259 at 2.49e+06 assign (resid 94 and name HB1 ) (resid 95 and name HA ) 4.5 2.0 2.0 ! A.167 at 2.90e+06 ! A95 assign (resid 95 and name HA ) (resid 96 and name HD2 ) 4.5 2.0 2.0 ! A.1126 at 2.42e+06 assign (resid 95 and name HA ) (resid 96 and name HG1 ) 4.5 2.0 2.0 ! A.1369 at 3.48e+06 assign (resid 95 and name HA ) (resid 96 and name HG2 ) 4.5 2.0 2.0 ! A.1369 at 3.48e+06 assign (resid 95 and name HB# ) (resid 97 and name HD# ) 4.5 2.0 3.0 ! A.1261 at 2.94e+06 assign (resid 95 and name HB# ) (resid 97 and name HG# ) 4.0 1.5 2.5 ! A.3048 at 5.71e+06 assign (resid 95 and name HB# ) (resid 97 and name HB# ) 4.0 1.5 2.5 ! A.3605 at 4.44e+06 ! K96 assign (resid 96 and name HA ) (resid 96 and name HD1 ) 4.0 1.5 1.5 ! A.1040 at 5.73e+06 assign (resid 96 and name HA ) (resid 96 and name HD2 ) 4.0 1.5 1.5 ! A.1124 at 4.92e+06 assign (resid 96 and name HA ) (resid 96 and name HE# ) 4.5 2.0 2.5 ! A.2795 at 2.81e+06 assign (resid 96 and name HB2 ) (resid 96 and name HD2 ) 4.0 1.5 1.5 ! A.1127 at 5.47e+06 assign (resid 96 and name HB2 ) (resid 96 and name HB1 ) 2.5 0.7 0.7 ! A.3111 at 2.62e+07 assign (resid 96 and name HG# ) (resid 96 and name HA ) 3.5 1.0 1.2 ! A.3221 at 9.35e+06 assign (resid 96 and name HE# ) (resid 96 and name HG1 ) 2.7 0.5 1.2 ! A.1329 at 2.70e+07 assign (resid 96 and name HE# ) (resid 96 and name HG2 ) 2.7 0.5 1.2 ! A.1329 at 2.70e+07 assign (resid 96 and name HD1 ) (resid 96 and name HB2 ) 3.5 1.0 0.7 ! A.907 at 7.05e+06 assign (resid 96 and name HD# ) (resid 97 and name HA ) 2.7 0.5 1.2 ! A.1125 at 2.23e+07 assign (resid 96 and name HD2 ) (resid 97 and name HB1 ) 4.5 2.0 2.0 ! A.1044 at 2.12e+06 assign (resid 96 and name HD2 ) (resid 97 and name HB2 ) 4.5 2.0 2.0 ! A.1044 at 2.12e+06 ! R97 assign (resid 97 and name HB1 ) (resid 97 and name HD# ) 4.0 1.5 2.0 ! A.2958 at 4.96e+06 assign (resid 97 and name HB2 ) (resid 97 and name HD# ) 4.0 1.5 2.0 ! A.2961 at 5.06e+06 assign (resid 97 and name HG# ) (resid 97 and name HA ) 4.5 2.0 2.5 ! A.40 at 2.22e+06 assign (resid 97 and name HD# ) (resid 101 and name HG2# ) 4.0 1.0 1.7 ! A.493 at 9.31e+06 assign (resid 97 and name HG# ) (resid 101 and name HG2# ) 4.0 1.0 1.7 ! A.3467 at 6.22e+06 ! K98 assign (resid 98 and name HA ) (resid 98 and name HE# ) 4.5 2.0 2.5 ! A.2816 at 3.50e+06 assign (resid 98 and name HA ) (resid 98 and name HD1 ) 3.5 0.5 1.0 ! A.1072 at 1.40e+07 assign (resid 98 and name HB1 ) (resid 98 and name HD1 ) 4.5 2.0 2.0 ! A.2973 at 2.84e+06 assign (resid 98 and name HB2 ) (resid 98 and name HD1 ) 4.5 2.0 2.0 ! A.1074 at 2.48e+06 assign (resid 98 and name HD2 ) (resid 98 and name HA ) 4.0 1.5 1.5 ! A.146 at 4.86e+06 assign (resid 98 and name HD2 ) (resid 98 and name HB2 ) 2.7 0.5 0.7 ! A.1235 at 7.36e+07 assign (resid 98 and name HD2 ) (resid 98 and name HB1 ) 4.5 2.0 2.0 ! A.767 at 2.13e+06 assign (resid 98 and name HG# ) (resid 98 and name HE# ) 4.0 2.0 1.5 ! A.3231 at 4.53e+06 assign (resid 98 and name HA ) (resid 98 and name HG1 ) 3.0 0.5 1.0 ! A.1389 at 9.63e+06 assign (resid 98 and name HA ) (resid 98 and name HG2 ) 3.0 0.5 1.0 ! A.1389 at 9.63e+06 assign (resid 98 and name HA ) (resid 99 and name HA ) 4.5 2.0 2.0 ! A.141 at 2.10e+06 ! T99 assign (resid 99 and name HA ) (resid 99 and name HG2# ) 2.7 0.5 1.2 ! A.1485 at 1.91e+07 assign (resid 99 and name HA ) (resid 100 and name HG2# ) 4.5 2.0 2.5 ! A.1714 at 2.55e+06 assign (resid 99 and name HN ) (resid 100 and name HG2# ) 4.0 1.5 2.0 ! A.3571 at 3.75e+06 assign (resid 99 and name HG2# ) (resid 101 and name HA ) 4.5 2.0 2.5 ! A.1486 at 2.85e+06 assign (resid 99 and name HB ) (resid 101 and name HG2# ) 2.7 0.5 1.2 ! A.420 at 1.10e+07 assign (resid 99 and name HG2# ) (resid 101 and name HG2# ) 2.7 0.5 1.7 ! A.3479 at 2.45e+07 ! V100 assign (resid 100 and name HG2# ) (resid 100 and name HA ) 2.7 0.5 1.2 ! A.3563 at 1.93e+07 assign (resid 100 and name HA ) (resid 100 and name HG1# ) 2.7 0.5 1.2 ! A.3682 at 1.54e+07 assign (resid 100 and name HG1# ) (resid 101 and name HG2# ) 2.7 0.5 1.7 ! A.3466 at 9.64e+06 assign (resid 100 and name HA ) (resid 101 and name HG2# ) 2.7 0.5 1.2 ! A.3472 at 1.62e+07 assign (resid 100 and name HG1# ) (resid 104 and name HB2 ) 4.5 2.0 2.5 ! A.3484 at 3.37e+06 assign (resid 100 and name HG1# ) (resid 104 and name HB1 ) 4.0 1.5 2.0 ! A.3485 at 5.32e+06 assign (resid 100 and name HG1# ) (resid 105 and name HG2# ) 4.0 1.5 2.5 ! A.1631 at 4.20e+06 ! T101 assign (resid 101 and name HA ) (resid 101 and name HG2# ) 2.7 0.5 1.2 ! A.1417 at 4.38e+07 assign (resid 101 and name HG2# ) (resid 103 and name HD1# ) 4.0 1.5 2.5 ! A.3208 at 4.61e+06 assign (resid 101 and name HG2# ) (resid 104 and name HB2 ) 4.5 2.0 2.5 ! A.620 at 3.49e+06 assign (resid 101 and name HA ) (resid 105 and name HG2# ) 4.0 1.5 2.0 ! A.1654 at 6.47e+06 ! S102 assign (resid 102 and name HB# ) (resid 103 and name HD1# ) 4.0 1.5 2.5 ! A.3210 at 6.31e+06 ! L103 assign (resid 103 and name HA ) (resid 103 and name HD2# ) 2.7 0.5 1.2 ! A.2777 at 1.99e+07 assign (resid 103 and name HB1 ) (resid 103 and name HD2# ) 2.7 0.5 1.2 ! A.2882 at 1.59e+07 assign (resid 103 and name HB2 ) (resid 103 and name HD2# ) 2.7 0.5 1.2 ! A.2883 at 1.69e+07 assign (resid 103 and name HD1# ) (resid 103 and name HA ) 4.0 1.5 2.0 ! A.3211 at 4.51e+06 assign (resid 103 and name HD1# ) (resid 103 and name HB1 ) 2.7 0.5 1.2 ! A.1218 at 6.78e+07 assign (resid 103 and name HD1# ) (resid 103 and name HB2 ) 4.0 1.5 2.0 ! A.3215 at 5.52e+06 assign (resid 103 and name HA ) (resid 104 and name HA ) 4.5 2.0 2.0 ! A.307 at 3.33e+06 assign (resid 103 and name HD1# ) (resid 105 and name HB ) 4.0 1.0 1.5 ! A.3213 at 9.46e+06 assign (resid 103 and name HA ) (resid 105 and name HB ) 3.5 0.5 1.0 ! A.782 at 2.22e+07 assign (resid 103 and name HA ) (resid 106 and name HG1# ) 2.7 0.5 1.2 ! A.397 at 1.08e+07 assign (resid 103 and name HA ) (resid 106 and name HA ) 4.5 2.0 2.0 ! A.480 at 2.01e+06 assign (resid 103 and name HB2 ) (resid 106 and name HB ) 4.5 2.0 2.0 ! A.1217 at 3.23e+06 assign (resid 103 and name HA ) (resid 106 and name HB ) 2.7 0.5 0.7 ! A.782 at 2.22e+07 assign (resid 103 and name HA ) (resid 106 and name HG2# ) 2.7 0.5 1.2 ! A.1467 at 1.20e+07 assign (resid 103 and name HD1# ) (resid 106 and name HG2# ) 2.7 0.5 1.7 ! A.3378 at 1.44e+07 assign (resid 103 and name HB# ) (resid 106 and name HG2# ) 3.5 1.0 1.7 ! A.3382 at 6.55e+06 assign (resid 103 and name HB1 ) (resid 106 and name HB ) 4.5 2.0 2.0 ! A.1217 at 3.23e+06 assign (resid 103 and name HD1# ) (resid 107 and name HE2 ) 4.0 1.5 2.0 ! A.3212 at 3.72e+06 ! D104 assign (resid 104 and name HA ) (resid 105 and name HA ) 4.5 2.0 2.0 ! A.3595 at 3.39e+06 assign (resid 104 and name HA ) (resid 106 and name HG1# ) 4.0 1.0 1.2 ! A.230 at 8.19e+06 assign (resid 104 and name HA ) (resid 107 and name HB1 ) 4.5 2.0 2.0 ! A.206 at 3.25e+06 assign (resid 104 and name HA ) (resid 107 and name HB2 ) 4.5 2.0 2.0 ! A.2943 at 2.91e+06 assign (resid 104 and name HA ) (resid 107 and name HD2 ) 4.0 1.5 1.5 ! A.2570 at 4.87e+06 assign (resid 104 and name HA ) (resid 107 and name HE2 ) 4.0 1.5 1.5 ! A.2570 at 3.51e+06 assign (resid 104 and name HA ) (resid 107 and name HA ) 4.5 2.0 2.0 ! A.275 at 2.32e+06 assign (resid 104 and name HB2 ) (resid 107 and name HB2 ) 4.5 2.0 2.0 ! A.618 at 2.21e+06 assign (resid 104 and name HA ) (resid 108 and name HB# ) 3.5 0.5 1.2 ! A.3535 at 1.40e+07 ! V105 assign (resid 105 and name HG1# ) (resid 105 and name HA ) 2.7 0.5 1.2 ! A.396 at 2.24e+07 assign (resid 105 and name HA ) (resid 105 and name HG2# ) 2.7 0.5 1.2 ! A.3592 at 1.73e+07 assign (resid 105 and name HG1# ) (resid 106 and name HG2# ) 2.7 0.5 1.7 ! A.1550 at 1.72e+07 assign (resid 105 and name HG1# ) (resid 106 and name HA ) 4.5 2.0 2.5 ! A.473 at 3.26e+06 assign (resid 105 and name HA ) (resid 107 and name HA ) 4.5 2.0 2.0 ! A.3596 at 3.36e+06 assign (resid 105 and name HG1# ) (resid 108 and name HB# ) 4.0 1.5 2.5 ! A.1437 at 4.30e+06 assign (resid 105 and name HG2# ) (resid 108 and name HB# ) 3.5 1.0 1.7 ! A.1662 at 8.26e+06 assign (resid 105 and name HA ) (resid 108 and name HB# ) 2.7 0.5 1.2 ! A.3590 at 1.20e+07 assign (resid 105 and name HG1# ) (resid 109 and name HD1# ) 3.5 1.0 1.7 ! A.1433 at 9.23e+06 assign (resid 105 and name HG1# ) (resid 109 and name HB1 ) 3.5 1.0 1.2 ! A.3494 at 7.54e+06 assign (resid 105 and name HG1# ) (resid 109 and name HG ) 4.0 1.5 2.0 ! A.3495 at 6.02e+06 ! V106 assign (resid 106 and name HG2# ) (resid 106 and name HA ) 2.7 0.5 1.2 ! A.3379 at 1.77e+07 assign (resid 106 and name HG1# ) (resid 106 and name HA ) 2.7 0.5 1.2 ! A.3514 at 2.41e+07 assign (resid 106 and name HG1# ) (resid 107 and name HE# ) 4.0 1.5 2.5 ! A.3512 at 4.27e+06 assign (resid 106 and name HG1# ) (resid 107 and name HA ) 4.0 1.5 2.0 ! A.1468 at 4.91e+06 assign (resid 106 and name HB ) (resid 107 and name HA ) 4.5 2.0 2.0 ! A.278 at 2.01e+06 assign (resid 106 and name HG2# ) (resid 109 and name HB2 ) 4.5 2.0 2.5 ! A.3381 at 2.55e+06 assign (resid 106 and name HG1# ) (resid 109 and name HB2 ) 4.5 2.0 2.5 ! A.1470 at 2.27e+06 assign (resid 106 and name HA ) (resid 109 and name HB2 ) 4.5 2.0 2.0 ! A.2885 at 2.27e+06 assign (resid 106 and name HA ) (resid 109 and name HB1 ) 4.5 2.0 2.0 ! A.2886 at 3.25e+06 assign (resid 106 and name HG2# ) (resid 109 and name HD1# ) 4.0 1.5 2.5 ! A.3139 at 4.12e+06 assign (resid 106 and name HA ) (resid 109 and name HD1# ) 3.5 1.0 1.2 ! A.3141 at 8.85e+06 assign (resid 106 and name HG2# ) (resid 109 and name HB1 ) 3.5 1.0 1.2 ! A.1341 at 7.17e+06 assign (resid 106 and name HG1# ) (resid 109 and name HB1 ) 3.5 1.0 1.2 ! A.3517 at 7.35e+06 assign (resid 106 and name HG1# ) (resid 110 and name HB# ) 4.5 2.0 3.0 ! A.1599 at 3.04e+06 assign (resid 106 and name HG1# ) (resid 110 and name HB2 ) 4.5 2.0 2.5 ! A.1471 at 2.06e+06 assign (resid 106 and name HG1# ) (resid 110 and name HD# ) 2.7 0.5 1.7 ! A.3516 at 1.39e+07 assign (resid 106 and name HG1# ) (resid 115 and name HG2# ) 4.5 2.0 3.0 ! A.1474 at 1.34e+09 ! Y107 assign (resid 107 and name HA ) (resid 107 and name HD# ) 2.7 0.5 1.2 ! A.2518 at 1.31e+07 assign (resid 107 and name HB2 ) (resid 108 and name HA ) 4.0 1.5 1.5 ! A.673 at 5.83e+06 assign (resid 107 and name HD# ) (resid 108 and name HB# ) 4.0 1.5 2.5 ! A.3531 at 4.18e+06 assign (resid 107 and name HA ) (resid 108 and name HB# ) 4.5 2.0 2.5 ! A.279 at 2.96e+06 assign (resid 107 and name HA ) (resid 110 and name HG2 ) 4.5 2.0 2.0 ! A.1295 at 2.46e+06 assign (resid 107 and name HA ) (resid 110 and name HD# ) 4.0 1.5 2.0 ! A.1058 at 6.12e+06 assign (resid 107 and name HA ) (resid 110 and name HB1 ) 2.7 0.5 0.7 ! A.929 at 1.43e+07 assign (resid 107 and name HA ) (resid 110 and name HB2 ) 2.7 0.5 0.7 ! A.929 at 1.43e+07 ! A108 assign (resid 108 and name HB# ) (resid 109 and name HA ) 4.0 1.5 2.0 ! A.421 at 4.07e+06 assign (resid 108 and name HB# ) (resid 109 and name HB2 ) 4.5 2.0 2.5 ! A.1342 at 2.16e+06 assign (resid 108 and name HA ) (resid 110 and name HB1 ) 4.0 1.0 1.0 ! A.879 at 7.54e+06 assign (resid 108 and name HA ) (resid 111 and name HD2 ) 4.5 2.0 2.0 ! A.541 at 2.58e+06 assign (resid 108 and name HA ) (resid 111 and name HB2 ) 4.0 1.5 1.5 ! A.325 at 3.78e+06 assign (resid 108 and name HB# ) (resid 111 and name HB2 ) 4.0 1.5 2.0 ! A.924 at 4.32e+06 assign (resid 108 and name HB# ) (resid 111 and name HD1 ) 4.5 2.0 2.5 ! A.546 at 2.69e+06 assign (resid 108 and name HA ) (resid 111 and name HA ) 4.5 2.0 2.0 ! A.307 at 3.33e+06 assign (resid 108 and name HA ) (resid 111 and name HD1 ) 4.5 2.0 2.0 ! A.541 at 2.58e+06 assign (resid 108 and name HA ) (resid 111 and name HB1 ) 4.0 1.5 1.5 ! A.325 at 3.78e+06 assign (resid 108 and name HB# ) (resid 112 and name HB2 ) 4.5 2.0 2.5 ! A.850 at 2.94e+06 ! L109 assign (resid 109 and name HD1# ) (resid 109 and name HA ) 4.5 2.0 2.5 ! A.417 at 3.03e+06 assign (resid 109 and name HD1# ) (resid 109 and name HB2 ) 4.0 1.5 2.0 ! A.1339 at 5.38e+06 assign (resid 109 and name HD1# ) (resid 109 and name HB1 ) 2.7 0.5 1.2 ! A.3145 at 1.15e+07 assign (resid 109 and name HD2# ) (resid 109 and name HB2 ) 4.0 1.5 2.0 ! A.1340 at 5.59e+06 assign (resid 109 and name HA ) (resid 110 and name HA ) 4.5 2.0 2.0 ! A.361 at 2.20e+06 assign (resid 109 and name HA ) (resid 110 and name HB# ) 4.0 1.5 2.0 ! A.3009 at 6.05e+06 assign (resid 109 and name HA ) (resid 111 and name HB2 ) 4.5 2.0 2.5 ! A.413 at 2.67e+06 assign (resid 109 and name HA ) (resid 112 and name HG# ) 4.5 2.0 2.5 ! A.411 at 3.12e+06 assign (resid 109 and name HA ) (resid 112 and name HB2 ) 4.5 2.0 2.0 ! A.414 at 3.15e+06 assign (resid 109 and name HD2# ) (resid 112 and name HG# ) 4.5 2.0 3.0 ! A.702 at 2.07e+06 assign (resid 109 and name HD2# ) (resid 114 and name HB1 ) 4.5 2.0 2.5 ! A.1648 at 2.38e+06 assign (resid 109 and name HD2# ) (resid 114 and name HB2 ) 4.0 1.5 2.0 ! A.1649 at 3.79e+06 assign (resid 109 and name HA ) (resid 114 and name HG1 ) 4.5 2.0 2.0 ! A.415 at 2.58e+06 assign (resid 109 and name HD1# ) (resid 114 and name HB1 ) 4.5 2.0 2.5 ! A.977 at 2.58e+06 assign (resid 109 and name HD2# ) (resid 114 and name HD1 ) 4.5 2.0 2.5 ! A.514 at 2.41e+06 assign (resid 109 and name HB1 ) (resid 114 and name HG2 ) 4.5 2.0 2.0 ! A.1122 at 2.00e+06 ! K110 assign (resid 110 and name HA ) (resid 110 and name HG2 ) 2.7 0.5 0.7 ! A.1296 at 1.23e+07 assign (resid 110 and name HA ) (resid 110 and name HD# ) 3.5 1.0 1.2 ! A.1161 at 7.65e+06 assign (resid 110 and name HA ) (resid 110 and name HE# ) 4.5 2.0 2.5 ! A.2551 at 1.88e+06 assign (resid 110 and name HA ) (resid 110 and name HG1 ) 4.5 2.0 2.0 ! A.1173 at 2.09e+06 assign (resid 110 and name HB# ) (resid 110 and name HD# ) 2.7 0.5 1.7 ! A.3007 at 2.99e+07 assign (resid 110 and name HB# ) (resid 110 and name HE# ) 4.0 1.5 2.5 ! A.3011 at 4.04e+06 assign (resid 110 and name HG1 ) (resid 110 and name HE# ) 4.0 1.5 2.0 ! A.624 at 6.16e+06 assign (resid 110 and name HE# ) (resid 110 and name HB1 ) 2.7 0.5 1.2 ! A.894 at 1.20e+07 assign (resid 110 and name HE# ) (resid 110 and name HB2 ) 2.7 0.5 1.2 ! A.894 at 1.20e+07 assign (resid 110 and name HE# ) (resid 110 and name HG2 ) 2.7 0.5 1.2 ! A.1287 at 2.87e+07 assign (resid 110 and name HB1 ) (resid 110 and name HD# ) 2.7 0.5 1.2 ! A.1147 at 2.99e+07 assign (resid 110 and name HB2 ) (resid 110 and name HD# ) 2.7 0.5 1.2 ! A.1147 at 2.99e+07 assign (resid 110 and name HG2 ) (resid 111 and name HA ) 4.5 2.0 2.0 ! A.1297 at 2.27e+06 assign (resid 110 and name HB1 ) (resid 111 and name HB2 ) 4.5 2.0 2.0 ! A.937 at 2.94e+06 assign (resid 110 and name HB1 ) (resid 111 and name HB1 ) 4.0 1.5 1.5 ! A.936 at 3.96e+06 assign (resid 110 and name HA ) (resid 113 and name HA2 ) 4.5 2.0 2.0 ! A.361 at 2.20e+06 assign (resid 110 and name HA ) (resid 114 and name HG1 ) 4.0 0.5 1.0 ! A.255 at 1.21e+07 assign (resid 110 and name HE# ) (resid 115 and name HG2# ) 4.5 2.0 3.0 ! A.1459 at 3.28e+06 assign (resid 110 and name HB2 ) (resid 115 and name HG2# ) 4.5 2.0 2.5 ! A.935 at 2.08e+06 assign (resid 110 and name HD# ) (resid 115 and name HG2# ) 4.5 2.0 3.0 ! A.1461 at 3.17e+06 assign (resid 110 and name HG1 ) (resid 115 and name HG2# ) 4.5 2.0 2.5 ! A.1462 at 2.27e+06 ! R111 assign (resid 111 and name HA ) (resid 111 and name HD1 ) 4.0 1.5 1.5 ! A.539 at 4.78e+06 assign (resid 111 and name HA ) (resid 111 and name HD2 ) 4.5 2.0 2.0 ! A.567 at 2.82e+06 assign (resid 111 and name HD1 ) (resid 111 and name HB2 ) 4.5 2.0 2.0 ! A.921 at 3.01e+06 assign (resid 111 and name HB2 ) (resid 111 and name HD2 ) 4.0 1.5 1.5 ! A.569 at 3.58e+06 assign (resid 111 and name HD2 ) (resid 111 and name HB1 ) 3.5 1.0 0.7 ! A.880 at 8.44e+06 assign (resid 111 and name HB1 ) (resid 111 and name HD1 ) 4.5 2.0 2.0 ! A.544 at 2.26e+06 assign (resid 111 and name HA ) (resid 112 and name HB2 ) 4.0 1.5 1.2 ! A.843 at 1.27e+07 assign (resid 111 and name HB2 ) (resid 112 and name HG# ) 4.5 2.0 2.5 ! A.922 at 2.48e+06 assign (resid 111 and name HA ) (resid 113 and name HA2 ) 4.5 2.0 2.0 ! A.362 at 2.03e+06 assign (resid 111 and name HA ) (resid 113 and name HA1 ) 4.5 2.0 2.0 ! A.307 at 3.33e+06 ! Q112 assign (resid 112 and name HA ) (resid 113 and name HA1 ) 4.5 2.0 2.0 ! A.308 at 2.77e+06 ! G113 assign (resid 113 and name HA2 ) (resid 114 and name HG1 ) 4.5 2.0 2.0 ! A.1106 at 3.50e+06 assign (resid 113 and name HA1 ) (resid 114 and name HG1 ) 4.5 2.0 2.0 ! A.1106 at 3.50e+06 !assign (resid 113 and name HA1 ) (resid 114 and name HG2 ) 4.5 2.0 2.5 ! A.1106 at 3.50e+06 assign (resid 113 and name HA2 ) (resid 114 and name HA ) 4.0 1.5 1.5 ! A.67 at 3.69e+06 assign (resid 113 and name HA1 ) (resid 114 and name HA ) 4.0 1.5 1.5 ! A.67 at 3.69e+06 ! R114 assign (resid 114 and name HD2 ) (resid 114 and name HA ) 4.0 1.5 1.5 ! A.69 at 5.05e+06 assign (resid 114 and name HD1 ) (resid 114 and name HA ) 4.0 1.5 1.5 ! A.68 at 4.20e+06 assign (resid 114 and name HB1 ) (resid 114 and name HD1 ) 4.0 1.5 1.5 ! A.511 at 3.83e+06 assign (resid 114 and name HB2 ) (resid 114 and name HD1 ) 4.5 2.0 2.0 ! A.512 at 3.06e+06 assign (resid 114 and name HB2 ) (resid 114 and name HD2 ) 4.0 1.5 1.5 ! A.526 at 4.00e+06 assign (resid 114 and name HA ) (resid 114 and name HG1 ) 4.0 1.5 1.5 ! A.1047 at 5.80e+06 assign (resid 114 and name HA ) (resid 114 and name HG2 ) 4.0 1.5 1.5 ! A.1047 at 5.80e+06 assign (resid 114 and name HD2 ) (resid 114 and name HB1 ) 4.5 2.0 2.0 ! A.974 at 2.20e+06 assign (resid 114 and name HA ) (resid 115 and name HA ) 4.5 2.0 2.0 ! A.185 at 2.58e+06 assign (resid 114 and name HA ) (resid 115 and name HG2# ) 4.5 2.0 2.5 ! A.3456 at 3.33e+06 assign (resid 114 and name HA ) (resid 116 and name HD1# ) 2.7 0.5 1.2 ! A.72 at 1.78e+07 ! T115 assign (resid 115 and name HG2# ) (resid 115 and name HA ) 2.7 0.5 1.2 ! A.3453 at 2.55e+07 assign (resid 115 and name HG2# ) (resid 116 and name HD1# ) 3.5 1.0 1.7 ! A.1607 at 7.44e+06 assign (resid 115 and name HG2# ) (resid 116 and name HA ) 4.5 2.0 2.5 ! A.3455 at 2.63e+06 assign (resid 115 and name HA ) (resid 117 and name HA ) 4.5 2.0 2.0 ! A.2568 at 2.22e+06 ! L116 assign (resid 116 and name HA ) (resid 116 and name HD1# ) 2.7 0.5 1.2 ! A.2819 at 2.17e+07 assign (resid 116 and name HA ) (resid 116 and name HD2# ) 2.7 0.5 1.2 ! A.1604 at 1.80e+07 assign (resid 116 and name HD1# ) (resid 116 and name HB1 ) 2.7 0.5 1.2 ! A.1281 at 3.78e+07 assign (resid 116 and name HD2# ) (resid 116 and name HB# ) 2.7 0.5 1.7 ! A.3289 at 2.27e+07 assign (resid 116 and name HA ) (resid 116 and name HG ) 3.0 0.5 0.7 ! A.1231 at 2.84e+07 assign (resid 116 and name HB2 ) (resid 116 and name HD1# ) 2.7 0.5 1.2 ! A.1605 at 1.10e+07 assign (resid 116 and name HD2# ) (resid 116 and name HB1 ) 2.7 0.5 1.2 ! A.1282 at 6.05e+07 assign (resid 116 and name HB1 ) (resid 117 and name HA ) 4.5 2.0 2.0 ! A.1245 at 2.62e+06 assign (resid 116 and name HB2 ) (resid 117 and name HA ) 4.5 2.0 2.0 ! A.1245 at 2.62e+06 assign (resid 116 and name HD2# ) (resid 118 and name HA# ) 4.0 1.5 2.5 ! A.3291 at 5.68e+06 assign (resid 116 and name HD2# ) (resid 119 and name HB2 ) 4.0 1.5 2.0 ! A.3292 at 3.63e+06 assign (resid 116 and name HD2# ) (resid 119 and name HD# ) 4.0 1.5 2.5 ! A.3286 at 4.45e+06 assign (resid 116 and name HD2# ) (resid 119 and name HE# ) 4.5 2.0 3.0 ! A.3287 at 2.34e+06 assign (resid 116 and name HA ) (resid 120 and name HA1 ) 4.5 2.0 2.0 ! A.124 at 2.13e+06 assign (resid 116 and name HD2# ) (resid 120 and name HA2 ) 4.5 2.0 2.5 ! A.1667 at 2.35e+06 assign (resid 116 and name HD1# ) (resid 120 and name HA1 ) 4.5 2.0 2.5 ! A.367 at 3.39e+06 assign (resid 116 and name HD2# ) (resid 120 and name HA1 ) 3.5 1.0 1.2 ! A.1554 at 7.72e+06 ! Y117 assign (resid 117 and name HA ) (resid 117 and name HD# ) 2.7 0.5 1.2 ! A.2566 at 1.23e+07 assign (resid 117 and name HA ) (resid 117 and name HE# ) 4.5 2.0 2.5 ! A.2567 at 1.84e+06 assign (resid 117 and name HB2 ) (resid 117 and name HD# ) 2.7 0.5 1.2 ! A.2910 at 1.01e+07 assign (resid 117 and name HB1 ) (resid 117 and name HD# ) 2.7 0.5 1.2 ! A.2911 at 1.04e+07 assign (resid 117 and name HA ) (resid 118 and name HA1 ) 4.5 2.0 2.0 ! A.42 at 2.29e+06 assign (resid 117 and name HB1 ) (resid 119 and name HB2 ) 4.5 2.0 2.0 ! A.585 at 3.23e+06 assign (resid 117 and name HB2 ) (resid 119 and name HB1 ) 4.5 2.0 2.0 ! A.559 at 2.02e+06 ! G118 assign (resid 118 and name HA1 ) (resid 119 and name HA ) 4.5 2.0 2.0 ! A.42 at 2.29e+06 ! F119 assign (resid 119 and name HA ) (resid 119 and name HD# ) 2.7 0.5 1.2 ! A.2769 at 1.31e+07 assign (resid 119 and name HB2 ) (resid 119 and name HD# ) 4.0 1.5 2.0 ! A.2899 at 3.90e+06 assign (resid 119 and name HB1 ) (resid 119 and name HD# ) 4.0 1.5 2.0 ! A.2898 at 4.59e+06 assign (resid 119 and name HA ) (resid 120 and name HA2 ) 4.5 2.0 2.0 ! A.42 at 2.29e+06 ! G120 assign (resid 120 and name HA2 ) (resid 121 and name HA1 ) 3.5 0.5 0.7 ! A.450 at 1.03e+07 assign (resid 120 and name HA2 ) (resid 121 and name HA2 ) 3.5 0.5 0.7 ! A.450 at 1.03e+07 assign (resid 120 and name HA1 ) (resid 121 and name HA1 ) 4.0 1.5 1.5 ! A.364 at 4.20e+06 assign (resid 120 and name HA1 ) (resid 121 and name HA2 ) 4.0 1.5 1.5 ! A.364 at 4.20e+06 ! G121 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: sc4_nnoe9AC.PCK ! Date: Thu Nov 4 17:17:29 EDT 2010 ! Path: /home/fengh/My_xplor/sC4 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A sc4_nnoe9AC.PCK 1981 410 656 748 167 ! Total 1981 410 656 748 167 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! L1 ! I2 assign (resid 2 and name HG12 ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.1547 at 2.12e+06 assign (resid 2 and name HG11 ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.1546 at 3.35e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.1544 at 1.17e+07 assign (resid 2 and name HB ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.3691 at 4.57e+06 assign (resid 2 and name HG2# ) (resid 3 and name HN ) 4.5 2.2 2.5 ! A.3692 at 5.59e+06 assign (resid 2 and name HD1# ) (resid 3 and name HN ) 4.5 2.2 2.5 ! A.1542 at 3.91e+06 assign (resid 2 and name HG12 ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.847 at 1.55e+06 assign (resid 2 and name HA ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.839 at 1.09e+07 ! S3 assign (resid 3 and name HB1 ) (resid 3 and name HN ) 3.0 0.7 0.6 ! A.1545 at 1.79e+07 assign (resid 3 and name HB2 ) (resid 3 and name HN ) 2.5 0.7 0.6 ! A.1545 at 1.79e+07 assign (resid 3 and name HA ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.2557 at 4.95e+06 assign (resid 3 and name HB# ) (resid 4 and name HN ) 4.5 2.2 2.5 ! A.2558 at 3.39e+06 assign (resid 3 and name HN ) (resid 4 and name HA ) 4.5 2.2 2.0 ! A.3690 at 4.12e+06 assign (resid 3 and name HN ) (resid 4 and name HB2 ) 4.5 2.2 2.0 ! A.1540 at 1.56e+06 ! K4 assign (resid 4 and name HB2 ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.843 at 5.65e+06 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.2559 at 4.01e+06 assign (resid 4 and name HG2 ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.846 at 4.87e+06 assign (resid 4 and name HG1 ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.846 at 4.87e+06 ! I5 ! P6 ! F7 assign (resid 7 and name HB# ) (resid 8 and name HN ) 4.5 2.2 2.5 ! A.2568 at 3.68e+06 assign (resid 7 and name HD# ) (resid 8 and name HN ) 4.5 2.2 2.5 ! A.2573 at 2.26e+06 assign (resid 7 and name HA ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.1111 at 2.85e+06 assign (resid 7 and name HB1 ) (resid 10 and name HN ) 4.5 2.2 2.0 ! A.572 at 4.07e+06 assign (resid 7 and name HD# ) (resid 10 and name HN ) 3.5 0.7 1.1 ! A.2512 at 1.71e+07 assign (resid 7 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.6 ! A.568 at 2.01e+07 assign (resid 7 and name HA ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.1434 at 1.12e+07 assign (resid 7 and name HB2 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1437 at 3.12e+06 assign (resid 7 and name HB1 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1437 at 3.12e+06 ! A8 assign (resid 8 and name HB# ) (resid 8 and name HN ) 2.5 0.7 1.1 ! A.2569 at 3.19e+07 assign (resid 8 and name HN ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.1105 at 9.23e+06 assign (resid 8 and name HA ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.1112 at 6.74e+06 assign (resid 8 and name HB# ) (resid 9 and name HN ) 2.5 0.7 1.1 ! A.1123 at 2.64e+07 assign (resid 8 and name HN ) (resid 10 and name HN ) 4.5 2.2 2.0 ! A.564 at 3.20e+06 assign (resid 8 and name HA ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.569 at 6.94e+06 assign (resid 8 and name HN ) (resid 10 and name HA ) 4.5 2.2 2.5 ! A.2567 at 3.30e+06 assign (resid 8 and name HN ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1426 at 1.95e+06 assign (resid 8 and name HA ) (resid 11 and name HN ) 3.5 1.2 0.7 ! A.1435 at 1.40e+07 assign (resid 8 and name HA ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.2458 at 9.18e+06 assign (resid 8 and name HN ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.278 at 1.82e+06 assign (resid 8 and name HA ) (resid 13 and name HN ) 4.5 2.2 2.0 ! A.1291 at 3.09e+06 assign (resid 8 and name HA ) (resid 36 and name HE21 ) 4.5 1.5 2.0 ! A.2773 at 6.38e+06 assign (resid 8 and name HB# ) (resid 36 and name HE21 ) 4.0 1.2 1.5 ! A.2778 at 1.13e+07 assign (resid 8 and name HB# ) (resid 36 and name HE22 ) 4.5 1.5 2.5 ! A.2781 at 3.38e+06 ! R9 assign (resid 9 and name HD2 ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.1115 at 3.03e+06 assign (resid 9 and name HB1 ) (resid 9 and name HN ) 3.0 0.7 0.6 ! A.1118 at 5.68e+07 assign (resid 9 and name HG# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! A.1120 at 8.93e+06 assign (resid 9 and name HD1 ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.1113 at 2.21e+06 assign (resid 9 and name HB2 ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.1119 at 6.18e+06 assign (resid 9 and name HD1 ) (resid 10 and name HN ) 4.5 2.2 2.0 ! A.571 at 2.90e+06 assign (resid 9 and name HN ) (resid 10 and name HN ) 2.5 0.7 0.6 ! A.566 at 2.80e+07 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 2.5 0.7 0.6 ! A.576 at 3.57e+07 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 3.0 0.7 0.6 ! A.576 at 2.07e+07 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 0.7 0.6 ! A.568 at 1.61e+07 assign (resid 9 and name HN ) (resid 10 and name HB2 ) 4.5 2.2 2.0 ! A.1122 at 5.01e+06 assign (resid 9 and name HN ) (resid 11 and name HB ) 4.5 2.2 2.0 ! A.1116 at 2.27e+06 assign (resid 9 and name HN ) (resid 11 and name HN ) 3.5 0.7 0.6 ! A.1106 at 2.04e+07 assign (resid 9 and name HA ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1433 at 5.08e+06 assign (resid 9 and name HB2 ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.1442 at 7.18e+06 assign (resid 9 and name HN ) (resid 12 and name HN ) 3.5 0.7 1.0 ! A.1108 at 1.44e+07 assign (resid 9 and name HN ) (resid 12 and name HD1 ) 4.0 2.2 1.0 ! A.1121 at 6.73e+06 assign (resid 9 and name HA ) (resid 12 and name HN ) 3.0 0.7 0.6 ! A.285 at 2.70e+07 ! L10 assign (resid 10 and name HB1 ) (resid 10 and name HN ) 3.0 0.7 0.6 ! A.578 at 5.42e+07 assign (resid 10 and name HB2 ) (resid 10 and name HN ) 2.5 0.7 0.6 ! A.579 at 6.57e+07 assign (resid 10 and name HG ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.580 at 1.07e+07 assign (resid 10 and name HD2# ) (resid 10 and name HN ) 2.5 0.7 1.1 ! A.581 at 1.99e+07 assign (resid 10 and name HD1# ) (resid 10 and name HN ) 2.5 0.7 1.1 ! A.581 at 1.99e+07 assign (resid 10 and name HN ) (resid 11 and name HA ) 4.5 2.2 2.0 ! A.570 at 3.61e+06 assign (resid 10 and name HN ) (resid 11 and name HB ) 4.0 2.2 1.0 ! A.575 at 9.57e+06 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.5 0.7 0.6 ! A.565 at 4.44e+07 assign (resid 10 and name HB1 ) (resid 11 and name HN ) 2.5 0.7 0.6 ! A.1443 at 1.69e+07 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 2.5 0.7 0.6 ! A.1444 at 2.47e+07 assign (resid 10 and name HG ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.1445 at 9.17e+06 assign (resid 10 and name HA ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.284 at 6.32e+06 assign (resid 10 and name HN ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.566 at 9.80e+06 assign (resid 10 and name HN ) (resid 12 and name HB1 ) 4.5 2.2 2.0 ! A.576 at 5.57e+06 assign (resid 10 and name HN ) (resid 13 and name HB1 ) 4.5 2.2 2.0 ! A.573 at 3.54e+06 assign (resid 10 and name HN ) (resid 13 and name HB2 ) 4.5 2.2 2.0 ! A.574 at 4.33e+06 assign (resid 10 and name HN ) (resid 13 and name HN ) 4.5 2.2 2.0 ! A.1285 at 4.88e+06 assign (resid 10 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.6 ! A.1288 at 2.11e+07 assign (resid 10 and name HB2 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.1301 at 1.03e+07 assign (resid 10 and name HB2 ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1422 at 2.81e+06 assign (resid 10 and name HA ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.3677 at 3.71e+06 assign (resid 10 and name HB1 ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1421 at 2.05e+06 ! V11 assign (resid 11 and name HB ) (resid 11 and name HN ) 2.5 0.7 0.6 ! A.1441 at 5.29e+07 assign (resid 11 and name HG1# ) (resid 11 and name HN ) 2.5 0.7 1.1 ! A.1446 at 4.61e+07 assign (resid 11 and name HG2# ) (resid 11 and name HN ) 3.0 0.7 1.1 ! A.1448 at 1.87e+07 assign (resid 11 and name HG2# ) (resid 12 and name HN ) 3.5 1.2 1.2 ! A.304 at 1.46e+07 assign (resid 11 and name HG1# ) (resid 12 and name HN ) 2.5 0.7 1.1 ! A.303 at 1.52e+07 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.5 1.2 0.7 ! A.289 at 1.22e+07 assign (resid 11 and name HB ) (resid 12 and name HN ) 3.0 0.7 0.6 ! A.2456 at 3.53e+07 assign (resid 11 and name HN ) (resid 12 and name HN ) 2.5 0.7 0.6 ! A.1430 at 3.42e+07 assign (resid 11 and name HA ) (resid 13 and name HN ) 4.5 2.2 2.0 ! A.1292 at 3.65e+06 assign (resid 11 and name HN ) (resid 13 and name HN ) 3.0 0.7 0.6 ! A.1283 at 3.98e+07 assign (resid 11 and name HG1# ) (resid 13 and name HN ) 4.5 2.2 2.5 ! A.3661 at 4.43e+06 assign (resid 11 and name HG2# ) (resid 13 and name HN ) 4.5 2.2 2.5 ! A.3662 at 6.05e+06 assign (resid 11 and name HN ) (resid 13 and name HB2 ) 4.5 2.2 2.0 ! A.1440 at 2.15e+06 assign (resid 11 and name HN ) (resid 13 and name HB1 ) 4.5 2.2 2.0 ! A.1438 at 1.77e+06 assign (resid 11 and name HA ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1414 at 3.97e+06 assign (resid 11 and name HG1# ) (resid 14 and name HN ) 4.5 2.2 2.5 ! A.1425 at 4.52e+06 assign (resid 11 and name HN ) (resid 14 and name HG1# ) 4.5 2.2 2.5 ! A.3678 at 4.74e+06 assign (resid 11 and name HN ) (resid 14 and name HG2# ) 4.5 2.2 2.5 ! A.3679 at 3.85e+06 assign (resid 11 and name HN ) (resid 14 and name HB ) 4.5 2.2 2.0 ! A.1442 at 6.18e+06 assign (resid 11 and name HG1# ) (resid 15 and name HN ) 4.5 2.2 2.5 ! A.1737 at 3.20e+06 assign (resid 11 and name HA ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1728 at 6.03e+06 assign (resid 11 and name HG2# ) (resid 15 and name HN ) 4.5 2.2 2.5 ! A.2732 at 4.86e+06 assign (resid 11 and name HN ) (resid 35 and name HD2# ) 4.5 2.2 2.5 ! A.1449 at 3.85e+06 assign (resid 11 and name HN ) (resid 35 and name HB1 ) 4.5 2.2 2.0 ! A.1439 at 2.99e+06 ! K12 assign (resid 12 and name HB2 ) (resid 12 and name HN ) 2.5 0.7 0.6 ! A.295 at 7.07e+07 assign (resid 12 and name HD1 ) (resid 12 and name HN ) 3.5 1.2 1.0 ! A.297 at 1.28e+07 assign (resid 12 and name HB1 ) (resid 12 and name HN ) 3.0 0.7 0.6 ! A.293 at 7.45e+07 assign (resid 12 and name HG# ) (resid 12 and name HN ) 3.0 0.7 1.1 ! A.301 at 2.78e+07 assign (resid 12 and name HD2 ) (resid 12 and name HN ) 3.5 1.2 1.0 ! A.299 at 1.31e+07 assign (resid 12 and name HE# ) (resid 12 and name HN ) 4.5 2.2 2.5 ! A.2457 at 3.34e+06 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.5 0.7 0.6 ! A.280 at 5.59e+07 assign (resid 12 and name HG# ) (resid 13 and name HN ) 3.0 0.7 1.1 ! A.1302 at 1.73e+07 assign (resid 12 and name HD1 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.1300 at 8.26e+06 assign (resid 12 and name HN ) (resid 13 and name HB1 ) 4.5 2.2 2.0 ! A.291 at 5.19e+06 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.0 0.7 0.6 ! A.1299 at 2.28e+07 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 0.7 0.6 ! A.1290 at 2.19e+07 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.0 0.7 0.6 ! A.1298 at 4.52e+07 assign (resid 12 and name HN ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.281 at 5.38e+06 assign (resid 12 and name HB2 ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1420 at 2.71e+06 assign (resid 12 and name HN ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.279 at 2.95e+06 assign (resid 12 and name HN ) (resid 15 and name HB ) 4.5 2.2 2.0 ! A.290 at 2.13e+06 assign (resid 12 and name HB2 ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1734 at 3.36e+06 assign (resid 12 and name HG# ) (resid 15 and name HN ) 4.5 2.2 2.5 ! A.1735 at 3.37e+06 assign (resid 12 and name HA ) (resid 15 and name HN ) 3.5 1.2 0.7 ! A.1726 at 1.25e+07 assign (resid 12 and name HB2 ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.117 at 1.69e+06 assign (resid 12 and name HG# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.118 at 6.79e+06 assign (resid 12 and name HA ) (resid 16 and name HN ) 3.5 1.2 0.7 ! A.109 at 1.31e+07 assign (resid 12 and name HN ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.278 at 1.82e+06 assign (resid 12 and name HN ) (resid 32 and name HD1# ) 4.5 2.2 2.5 ! A.2455 at 3.78e+06 assign (resid 12 and name HN ) (resid 35 and name HD2# ) 4.5 2.2 2.5 ! A.305 at 4.45e+06 assign (resid 12 and name HN ) (resid 35 and name HB2 ) 4.5 2.2 2.0 ! A.302 at 2.11e+06 ! E13 assign (resid 13 and name HB2 ) (resid 13 and name HN ) 2.5 0.7 0.6 ! A.1297 at 4.06e+07 assign (resid 13 and name HG1 ) (resid 13 and name HN ) 2.5 0.7 0.6 ! A.1295 at 3.72e+07 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 3.0 0.7 0.6 ! A.1296 at 6.38e+07 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.5 1.2 0.7 ! A.1408 at 1.22e+07 assign (resid 13 and name HN ) (resid 14 and name HG2# ) 4.5 2.2 1.5 ! A.3660 at 7.15e+06 assign (resid 13 and name HA ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1411 at 6.49e+06 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.1417 at 1.01e+07 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.1416 at 9.40e+06 assign (resid 13 and name HG1 ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1415 at 2.73e+06 assign (resid 13 and name HN ) (resid 15 and name HB ) 4.5 2.2 2.0 ! A.1293 at 2.24e+06 assign (resid 13 and name HN ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1721 at 5.13e+06 assign (resid 13 and name HB2 ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1732 at 3.79e+06 assign (resid 13 and name HA ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1725 at 5.10e+06 assign (resid 13 and name HB1 ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1731 at 2.73e+06 assign (resid 13 and name HN ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.1281 at 3.34e+06 assign (resid 13 and name HG1 ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.114 at 2.72e+06 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.0 0.7 0.6 ! A.108 at 1.55e+07 assign (resid 13 and name HN ) (resid 17 and name HN ) 4.5 2.2 2.0 ! A.2543 at 6.06e+06 assign (resid 13 and name HN ) (resid 35 and name HD2# ) 4.5 2.2 2.5 ! A.1303 at 2.23e+06 ! V14 assign (resid 14 and name HG2# ) (resid 14 and name HN ) 4.5 2.2 2.5 ! A.1424 at 4.54e+06 assign (resid 14 and name HB ) (resid 14 and name HN ) 2.5 0.7 0.6 ! A.1419 at 2.24e+07 assign (resid 14 and name HG1# ) (resid 14 and name HN ) 3.0 0.7 1.1 ! A.1423 at 2.65e+07 assign (resid 14 and name HN ) (resid 15 and name HA ) 4.5 2.2 2.0 ! A.1413 at 2.81e+06 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.6 ! A.1722 at 3.05e+07 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.5 1.2 0.7 ! A.1726 at 1.25e+07 assign (resid 14 and name HG2# ) (resid 15 and name HN ) 3.5 1.2 1.2 ! A.1736 at 1.31e+07 assign (resid 14 and name HG1# ) (resid 15 and name HN ) 3.5 1.2 1.2 ! A.1736 at 1.31e+07 assign (resid 14 and name HB ) (resid 15 and name HN ) 2.5 0.7 0.6 ! A.1733 at 2.96e+07 assign (resid 14 and name HB ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.2411 at 4.72e+06 assign (resid 14 and name HG1# ) (resid 16 and name HN ) 4.5 2.2 2.5 ! A.119 at 1.99e+06 assign (resid 14 and name HN ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.104 at 5.57e+06 assign (resid 14 and name HG2# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.781 at 7.85e+06 assign (resid 14 and name HG1# ) (resid 17 and name HN ) 4.5 2.2 2.5 ! A.780 at 5.09e+06 assign (resid 14 and name HA ) (resid 17 and name HN ) 3.0 0.7 0.6 ! A.770 at 2.87e+07 assign (resid 14 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.762 at 9.22e+06 assign (resid 14 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.1395 at 6.79e+06 assign (resid 14 and name HG1# ) (resid 82 and name HN ) 4.0 2.2 1.5 ! A.1219 at 9.53e+06 ! T15 assign (resid 15 and name HB ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.1729 at 1.02e+07 assign (resid 15 and name HG2# ) (resid 15 and name HN ) 2.5 0.7 1.1 ! A.1740 at 2.55e+07 assign (resid 15 and name HB ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.111 at 7.67e+06 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 0.6 ! A.1720 at 2.76e+07 assign (resid 15 and name HA ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.110 at 1.15e+07 assign (resid 15 and name HG2# ) (resid 16 and name HN ) 4.5 2.2 2.5 ! A.120 at 5.13e+06 assign (resid 15 and name HN ) (resid 16 and name HA ) 4.5 2.2 2.0 ! A.1724 at 4.00e+06 assign (resid 15 and name HN ) (resid 16 and name HB2 ) 4.5 2.2 2.0 ! A.1730 at 2.74e+06 assign (resid 15 and name HN ) (resid 16 and name HB1 ) 4.5 2.2 2.0 ! A.2731 at 3.93e+06 assign (resid 15 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.771 at 1.09e+07 assign (resid 15 and name HN ) (resid 17 and name HN ) 4.5 2.2 2.0 ! A.1723 at 5.43e+06 assign (resid 15 and name HB ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.772 at 8.87e+06 assign (resid 15 and name HN ) (resid 17 and name HG2 ) 4.5 2.2 2.0 ! A.1731 at 2.73e+06 assign (resid 15 and name HA ) (resid 18 and name HN ) 4.0 1.2 1.0 ! A.1396 at 1.10e+07 assign (resid 15 and name HN ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.3674 at 3.45e+06 assign (resid 15 and name HA ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1608 at 2.18e+06 assign (resid 15 and name HG2# ) (resid 27 and name HE1 ) 4.5 1.5 3.0 ! A.2015 at 3.57e+06 !1220assign (resid 15 and name HA ) (resid 27 and name HE1 ) 4.5 1.5 2.5 ! A.2007 at 2.82e+06 assign (resid 15 and name HB ) (resid 27 and name HE1 ) 4.5 1.2 2.0 ! A.2008 at 4.62e+06 assign (resid 15 and name HN ) (resid 35 and name HD2# ) 4.0 2.2 1.5 ! A.1739 at 1.10e+07 assign (resid 15 and name HN ) (resid 81 and name HD1# ) 4.5 2.2 2.5 ! A.1738 at 4.63e+06 assign (resid 15 and name HG2# ) (resid 17 and name HN ) 4.5 2.2 2.5 ! A.2461 at 4.99e+06 ! D16 assign (resid 16 and name HB2 ) (resid 16 and name HN ) 2.5 0.7 0.6 ! A.113 at 3.48e+07 assign (resid 16 and name HB1 ) (resid 16 and name HN ) 3.0 0.7 0.6 ! A.112 at 5.17e+07 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 0.7 0.6 ! A.765 at 1.97e+07 assign (resid 16 and name HN ) (resid 17 and name HN ) 2.5 0.7 0.6 ! A.105 at 2.93e+07 assign (resid 16 and name HB2 ) (resid 17 and name HN ) 2.5 0.7 0.6 ! A.774 at 2.66e+07 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 3.0 0.7 0.6 ! A.773 at 2.49e+07 assign (resid 16 and name HN ) (resid 17 and name HG2 ) 4.5 2.2 2.0 ! A.115 at 4.50e+06 assign (resid 16 and name HN ) (resid 17 and name HB2 ) 4.5 2.2 2.0 ! A.116 at 4.72e+06 assign (resid 16 and name HN ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.1383 at 4.05e+06 assign (resid 16 and name HB1 ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.1373 at 3.87e+06 assign (resid 16 and name HB2 ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.1399 at 5.65e+06 assign (resid 16 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.1390 at 9.87e+06 assign (resid 16 and name HN ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.102 at 1.58e+06 assign (resid 16 and name HN ) (resid 20 and name HA ) 4.5 2.2 2.4 ! A.107 at 2.03e+06 assign (resid 16 and name HB1 ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.1689 at 2.73e+06 assign (resid 16 and name HA ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.1681 at 1.16e+07 ! E17 assign (resid 17 and name HB1 ) (resid 17 and name HN ) 3.0 0.7 0.6 ! A.776 at 6.55e+07 assign (resid 17 and name HG1 ) (resid 17 and name HN ) 2.5 0.7 0.6 ! A.775 at 5.17e+07 assign (resid 17 and name HB2 ) (resid 17 and name HN ) 2.5 0.7 0.6 ! A.778 at 4.79e+07 assign (resid 17 and name HG2 ) (resid 17 and name HN ) 2.5 0.7 0.6 ! A.777 at 3.26e+07 assign (resid 17 and name HN ) (resid 18 and name HA ) 4.0 1.2 1.0 ! A.766 at 1.03e+07 assign (resid 17 and name HN ) (resid 18 and name HE# ) 4.5 2.2 2.5 ! A.763 at 2.67e+06 assign (resid 17 and name HN ) (resid 18 and name HD# ) 4.0 2.2 1.5 ! A.2544 at 1.18e+07 assign (resid 17 and name HN ) (resid 18 and name HB1 ) 4.5 2.2 2.0 ! A.2545 at 5.66e+06 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 0.7 0.6 ! A.1400 at 1.64e+07 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.6 ! A.762 at 4.22e+07 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.5 1.2 0.7 ! A.1394 at 1.37e+07 assign (resid 17 and name HG2 ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.1401 at 7.22e+06 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 2.5 0.7 0.6 ! A.1402 at 1.76e+07 assign (resid 17 and name HN ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1600 at 3.66e+06 assign (resid 17 and name HN ) (resid 19 and name HG2# ) 4.5 2.2 2.5 ! A.2547 at 2.87e+06 assign (resid 17 and name HA ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1607 at 2.71e+06 assign (resid 17 and name HN ) (resid 20 and name HA ) 4.0 2.2 1.5 ! A.768 at 7.98e+06 assign (resid 17 and name HN ) (resid 20 and name HB ) 4.0 2.2 1.0 ! A.767 at 6.79e+06 assign (resid 17 and name HN ) (resid 20 and name HG2# ) 4.5 2.2 2.5 ! A.2546 at 3.34e+06 assign (resid 17 and name HB1 ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.1691 at 3.61e+06 assign (resid 17 and name HA ) (resid 20 and name HN ) 3.5 1.2 0.7 ! A.1686 at 1.45e+07 assign (resid 17 and name HN ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.762 at 5.22e+06 ! F18 assign (resid 18 and name HB2 ) (resid 18 and name HN ) 2.5 0.7 0.6 ! A.1398 at 4.46e+07 assign (resid 18 and name HB1 ) (resid 18 and name HN ) 3.0 0.7 0.6 ! A.1397 at 3.49e+07 assign (resid 18 and name HZ ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.1388 at 3.36e+06 assign (resid 18 and name HD# ) (resid 18 and name HN ) 2.5 0.7 1.1 ! A.3675 at 3.48e+07 assign (resid 18 and name HE# ) (resid 18 and name HN ) 4.5 2.2 2.5 ! A.3676 at 5.85e+06 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.6 ! A.1599 at 1.57e+07 assign (resid 18 and name HN ) (resid 19 and name HG2# ) 4.5 2.2 2.5 ! A.1403 at 5.57e+06 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1609 at 6.00e+06 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.1610 at 7.40e+06 assign (resid 18 and name HN ) (resid 20 and name HN ) 3.5 1.2 0.7 ! A.1676 at 1.35e+07 assign (resid 18 and name HB2 ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.1688 at 2.39e+06 assign (resid 18 and name HA ) (resid 20 and name HN ) 3.0 0.7 0.6 ! A.1682 at 2.28e+07 assign (resid 18 and name HN ) (resid 27 and name HH2 ) 4.5 2.2 2.5 ! A.1389 at 1.57e+06 ! T19 assign (resid 19 and name HB ) (resid 19 and name HN ) 3.0 0.7 0.6 ! A.1605 at 2.43e+07 assign (resid 19 and name HG2# ) (resid 19 and name HN ) 4.0 2.2 1.5 ! A.1611 at 1.14e+07 assign (resid 19 and name HN ) (resid 20 and name HA ) 4.5 2.2 2.0 ! A.1606 at 2.11e+06 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.5 1.2 0.7 ! A.1599 at 1.47e+07 assign (resid 19 and name HG2# ) (resid 20 and name HN ) 3.0 0.7 1.1 ! A.3723 at 1.67e+07 assign (resid 19 and name HA ) (resid 20 and name HN ) 2.5 0.7 0.6 ! A.1681 at 2.86e+07 assign (resid 19 and name HB ) (resid 20 and name HN ) 3.5 1.2 0.7 ! A.1682 at 1.28e+07 assign (resid 19 and name HN ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.1601 at 3.29e+06 assign (resid 19 and name HA ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.931 at 1.55e+06 assign (resid 19 and name HA ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.1091 at 1.10e+07 assign (resid 19 and name HB ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.1092 at 1.03e+07 assign (resid 19 and name HA ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2005 at 2.21e+06 assign (resid 19 and name HB ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2006 at 2.38e+06 !1217assign (resid 19 and name HN ) (resid 27 and name HZ2 ) 4.5 2.2 2.0 ! A.1602 at 1.59e+06 ! T20 assign (resid 20 and name HB ) (resid 20 and name HN ) 2.5 0.7 0.6 ! A.1683 at 4.35e+07 assign (resid 20 and name HG2# ) (resid 20 and name HN ) 2.5 0.7 1.1 ! A.1696 at 4.36e+07 assign (resid 20 and name HN ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.1677 at 2.29e+06 assign (resid 20 and name HG2# ) (resid 21 and name HN ) 4.5 2.2 2.5 ! A.938 at 2.34e+06 assign (resid 20 and name HN ) (resid 21 and name HB2 ) 4.5 2.2 2.0 ! A.1694 at 4.50e+06 assign (resid 20 and name HB ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.932 at 5.25e+06 assign (resid 20 and name HG2# ) (resid 22 and name HN ) 4.5 2.2 2.5 ! A.1104 at 5.33e+06 assign (resid 20 and name HN ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.1088 at 1.16e+07 assign (resid 20 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.6 ! A.1093 at 1.68e+07 assign (resid 20 and name HN ) (resid 22 and name HB2 ) 4.5 2.2 2.0 ! A.1690 at 2.64e+06 assign (resid 20 and name HA ) (resid 23 and name HN ) 4.5 2.2 1.5 ! A.612 at 6.75e+06 ! K21 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.935 at 8.85e+06 assign (resid 21 and name HG# ) (resid 21 and name HN ) 4.5 2.2 2.5 ! A.937 at 3.41e+06 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.2580 at 5.09e+06 assign (resid 21 and name HD1 ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.936 at 2.00e+06 assign (resid 21 and name HD2 ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.936 at 2.00e+06 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.6 ! A.1089 at 2.89e+07 assign (resid 21 and name HG# ) (resid 22 and name HN ) 4.0 2.2 1.5 ! A.1102 at 7.75e+06 assign (resid 21 and name HB1 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.1099 at 1.08e+07 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 3.5 1.2 0.7 ! A.1100 at 1.45e+07 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.5 1.2 0.7 ! A.1093 at 1.28e+07 assign (resid 21 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.612 at 6.75e+06 assign (resid 21 and name HA ) (resid 24 and name HN ) 4.5 2.0 1.5 ! A.1075 at 1.55e+07 assign (resid 21 and name HB1 ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.1083 at 3.54e+06 assign (resid 21 and name HB2 ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.2629 at 3.61e+06 assign (resid 21 and name HG# ) (resid 24 and name HN ) 4.5 2.2 2.5 ! A.1085 at 5.54e+06 assign (resid 21 and name HB1 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.425 at 2.21e+06 assign (resid 21 and name HA ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.420 at 1.70e+06 ! D22 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.0 0.7 0.6 ! A.1095 at 2.31e+07 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 2.5 0.7 0.6 ! A.1096 at 2.47e+07 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 0.6 ! A.610 at 1.67e+07 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.613 at 7.11e+06 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.615 at 1.03e+07 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.5 0.7 0.6 ! A.1087 at 1.53e+07 assign (resid 22 and name HN ) (resid 23 and name HB1 ) 4.5 2.2 2.0 ! A.1097 at 2.19e+06 assign (resid 22 and name HN ) (resid 23 and name HB2 ) 4.5 2.2 2.0 ! A.1098 at 3.31e+06 assign (resid 22 and name HN ) (resid 23 and name HG# ) 4.5 2.2 2.5 ! A.2630 at 4.04e+06 assign (resid 22 and name HN ) (resid 23 and name HA ) 4.0 2.2 1.0 ! A.1092 at 1.03e+07 assign (resid 22 and name HA ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.1072 at 9.69e+06 assign (resid 22 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.1076 at 8.65e+06 assign (resid 22 and name HN ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.1070 at 4.26e+06 assign (resid 22 and name HB1 ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.421 at 8.53e+06 assign (resid 22 and name HN ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.415 at 3.41e+06 assign (resid 22 and name HN ) (resid 25 and name HB1 ) 4.5 2.2 2.0 ! A.1101 at 5.29e+06 assign (resid 22 and name HN ) (resid 25 and name HB2 ) 4.0 2.2 1.0 ! A.1103 at 7.68e+06 assign (resid 22 and name HN ) (resid 25 and name HD2# ) 4.5 2.2 2.5 ! A.2631 at 3.52e+06 assign (resid 22 and name HA ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.416 at 3.83e+06 assign (resid 22 and name HB2 ) (resid 25 and name HN ) 4.0 0.7 1.0 ! A.423 at 1.25e+07 ! Q23 assign (resid 23 and name HB1 ) (resid 23 and name HN ) 3.0 0.7 0.6 ! A.617 at 2.51e+07 assign (resid 23 and name HB2 ) (resid 23 and name HN ) 3.0 0.7 0.6 ! A.618 at 4.23e+07 assign (resid 23 and name HG# ) (resid 23 and name HN ) 2.5 0.7 1.1 ! A.616 at 2.48e+07 assign (resid 23 and name HG# ) (resid 23 and name HE21 ) 2.5 0.7 1.2 ! A.2824 at 3.62e+07 assign (resid 23 and name HB1 ) (resid 23 and name HE21 ) 4.5 1.5 2.0 ! A.2825 at 4.35e+06 assign (resid 23 and name HB2 ) (resid 23 and name HE21 ) 4.5 1.5 2.0 ! A.2826 at 4.82e+06 assign (resid 23 and name HA ) (resid 23 and name HE21 ) 4.5 1.5 2.0 ! A.2829 at 5.32e+06 assign (resid 23 and name HG# ) (resid 23 and name HE22 ) 2.5 0.7 1.2 ! A.2830 at 3.62e+07 assign (resid 23 and name HB1 ) (resid 23 and name HE22 ) 4.5 1.5 2.0 ! A.2831 at 4.35e+06 assign (resid 23 and name HB2 ) (resid 23 and name HE22 ) 4.5 1.5 2.0 ! A.2832 at 4.82e+06 assign (resid 23 and name HA ) (resid 23 and name HE22 ) 4.5 1.5 2.0 ! A.2835 at 5.32e+06 assign (resid 23 and name HN ) (resid 24 and name HA ) 4.5 2.2 2.0 ! A.611 at 6.50e+06 assign (resid 23 and name HB2 ) (resid 24 and name HN ) 3.5 0.7 0.6 ! A.1082 at 1.51e+07 assign (resid 23 and name HG1 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.1079 at 1.03e+07 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.0 0.7 0.6 ! A.1074 at 6.51e+07 assign (resid 23 and name HG2 ) (resid 24 and name HN ) 3.0 0.7 0.6 ! A.1080 at 1.58e+07 assign (resid 23 and name HB1 ) (resid 24 and name HN ) 3.5 0.7 0.6 ! A.1081 at 1.79e+07 assign (resid 23 and name HA ) (resid 25 and name HN ) 3.5 1.2 1.0 ! A.419 at 1.33e+07 assign (resid 23 and name HB# ) (resid 25 and name HN ) 4.5 2.2 2.5 ! A.2476 at 3.32e+06 assign (resid 23 and name HN ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.609 at 4.91e+06 assign (resid 23 and name HE21 ) (resid 85 and name HG2# ) 4.0 1.2 1.5 ! A.2828 at 1.35e+07 assign (resid 23 and name HE22 ) (resid 85 and name HG2# ) 4.0 1.2 1.3 ! A.2834 at 1.35e+07 assign (resid 23 and name HE21 ) (resid 89 and name HG2# ) 2.5 0.7 1.2 ! A.2827 at 1.71e+07 assign (resid 23 and name HE22 ) (resid 89 and name HG2# ) 2.5 0.7 1.2 ! A.2833 at 1.71e+07 ! D24 assign (resid 24 and name HB1 ) (resid 24 and name HN ) 3.0 0.7 0.6 ! A.1077 at 5.08e+07 assign (resid 24 and name HB2 ) (resid 24 and name HN ) 2.5 0.7 0.6 ! A.1078 at 8.96e+07 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.422 at 1.14e+07 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 3.0 0.7 0.6 ! A.423 at 1.65e+07 assign (resid 24 and name HA ) (resid 25 and name HN ) 2.5 0.7 0.6 ! A.2478 at 3.90e+07 assign (resid 24 and name HN ) (resid 25 and name HD1# ) 4.5 2.2 2.5 ! A.1086 at 5.83e+06 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.5 1.2 0.6 ! A.414 at 4.73e+07 assign (resid 24 and name HN ) (resid 25 and name HB2 ) 4.0 2.2 1.0 ! A.1085 at 1.04e+07 assign (resid 24 and name HN ) (resid 98 and name HB2 ) 4.0 2.2 1.0 ! A.1084 at 6.63e+06 assign (resid 24 and name HN ) (resid 98 and name HD1 ) 4.5 2.2 2.2 ! A.1084 at 5.63e+06 ! L25 assign (resid 25 and name HB1 ) (resid 25 and name HN ) 3.0 0.7 0.6 ! A.427 at 6.26e+07 assign (resid 25 and name HG ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.429 at 1.11e+07 assign (resid 25 and name HB2 ) (resid 25 and name HN ) 2.5 0.7 0.6 ! A.429 at 6.11e+07 assign (resid 25 and name HD1# ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.431 at 1.09e+07 assign (resid 25 and name HD2# ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.431 at 1.09e+07 assign (resid 25 and name HN ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.413 at 9.77e+06 assign (resid 25 and name HG ) (resid 26 and name HN ) 2.5 0.7 0.6 ! A.76 at 3.45e+07 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 3.0 0.7 0.6 ! A.76 at 3.45e+07 assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.6 ! A.66 at 1.14e+08 assign (resid 25 and name HD2# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.79 at 6.89e+06 assign (resid 25 and name HD1# ) (resid 26 and name HN ) 3.0 0.7 1.1 ! A.79 at 1.89e+07 assign (resid 25 and name HB1 ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2010 at 2.78e+06 assign (resid 25 and name HB2 ) (resid 27 and name HE1 ) 4.0 1.2 1.0 ! A.2011 at 1.08e+07 assign (resid 25 and name HD2# ) (resid 27 and name HE1 ) 4.5 1.2 1.5 ! A.2013 at 8.44e+06 assign (resid 25 and name HB2 ) (resid 27 and name HN ) 4.5 2.2 2.0 ! A.2480 at 4.83e+06 assign (resid 25 and name HB1 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.442 at 6.66e+06 assign (resid 25 and name HN ) (resid 98 and name HG2 ) 4.5 2.2 2.5 ! A.430 at 3.53e+06 assign (resid 25 and name HN ) (resid 98 and name HB1 ) 4.5 2.2 2.0 ! A.424 at 6.50e+06 assign (resid 25 and name HB1 ) (resid 99 and name HN ) 3.5 1.2 0.7 ! A.1712 at 1.50e+07 assign (resid 25 and name HG ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1714 at 6.32e+06 assign (resid 25 and name HA ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1703 at 5.38e+06 assign (resid 25 and name HD1# ) (resid 99 and name HN ) 3.0 0.7 1.1 ! A.1718 at 2.73e+07 assign (resid 25 and name HG ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.15 at 5.59e+06 assign (resid 25 and name HB1 ) (resid 100 and name HN ) 4.0 2.2 1.0 ! A.14 at 7.59e+06 ! R26 assign (resid 26 and name HG# ) (resid 26 and name HN ) 3.0 0.7 1.1 ! A.74 at 3.38e+07 assign (resid 26 and name HB# ) (resid 26 and name HN ) 2.5 0.7 1.1 ! A.72 at 4.53e+07 assign (resid 26 and name HD2 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.70 at 3.80e+06 assign (resid 26 and name HD1 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.69 at 5.17e+06 assign (resid 26 and name HA ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2004 at 2.68e+06 assign (resid 26 and name HN ) (resid 27 and name HN ) 4.5 2.2 2.0 ! A.434 at 6.04e+06 assign (resid 26 and name HN ) (resid 27 and name HE1 ) 4.5 2.2 2.0 ! A.59 at 1.65e+06 assign (resid 26 and name HD2 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.439 at 6.65e+06 assign (resid 26 and name HD1 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.438 at 7.08e+06 assign (resid 26 and name HB# ) (resid 27 and name HN ) 2.5 0.7 1.1 ! A.441 at 5.28e+07 assign (resid 26 and name HN ) (resid 27 and name HA ) 4.0 2.2 1.0 ! A.66 at 7.24e+06 assign (resid 26 and name HG# ) (resid 27 and name HN ) 4.0 2.2 1.5 ! A.442 at 8.66e+06 assign (resid 26 and name HA ) (resid 27 and name HN ) 2.5 0.7 0.6 ! A.436 at 1.04e+08 assign (resid 26 and name HG# ) (resid 28 and name HN ) 3.0 0.7 1.1 ! A.2026 at 3.41e+07 assign (resid 26 and name HN ) (resid 98 and name HA ) 4.5 2.2 2.0 ! A.67 at 4.67e+06 assign (resid 26 and name HN ) (resid 98 and name HB1 ) 4.0 2.2 1.5 ! A.71 at 1.10e+07 assign (resid 26 and name HN ) (resid 98 and name HG2 ) 4.5 2.2 2.0 ! A.77 at 4.22e+06 assign (resid 26 and name HN ) (resid 98 and name HB2 ) 3.5 1.2 0.7 ! A.75 at 1.24e+07 assign (resid 26 and name HD2 ) (resid 98 and name HN ) 4.5 2.2 2.5 ! A.1557 at 1.54e+06 assign (resid 26 and name HN ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1548 at 5.79e+06 assign (resid 26 and name HN ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1698 at 4.01e+06 assign (resid 26 and name HN ) (resid 99 and name HB ) 4.5 2.2 2.0 ! A.68 at 4.02e+06 assign (resid 26 and name HN ) (resid 99 and name HG2# ) 4.0 2.2 1.5 ! A.78 at 7.88e+06 assign (resid 26 and name HN ) (resid 100 and name HG2# ) 4.0 2.2 1.5 ! A.80 at 7.19e+06 assign (resid 26 and name HN ) (resid 100 and name HN ) 4.0 2.2 1.0 ! A.4 at 8.68e+06 assign (resid 26 and name HB# ) (resid 100 and name HN ) 4.0 2.2 1.5 ! A.13 at 1.01e+07 ! W27 assign (resid 27 and name HH2 ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2002 at 2.09e+06 assign (resid 27 and name HN ) (resid 27 and name HE1 ) 4.5 2.2 2.0 ! A.2003 at 2.02e+06 assign (resid 27 and name HB1 ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2008 at 4.62e+06 assign (resid 27 and name HB2 ) (resid 27 and name HE1 ) 4.5 1.5 2.0 ! A.2009 at 3.06e+06 assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.5 0.7 1.1 ! A.440 at 6.34e+07 assign (resid 27 and name HD1 ) (resid 27 and name HN ) 2.5 0.7 0.6 ! A.435 at 3.42e+07 assign (resid 27 and name HB# ) (resid 28 and name HN ) 2.5 0.7 1.1 ! A.2030 at 2.48e+07 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.5 0.7 0.6 ! A.2034 at 1.04e+08 assign (resid 27 and name HE3 ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.2037 at 9.10e+06 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.5 2.2 2.0 ! A.2479 at 5.43e+06 assign (resid 27 and name HA ) (resid 28 and name HE21 ) 3.5 1.2 1.2 ! A.2859 at 1.01e+07 assign (resid 27 and name HA ) (resid 28 and name HE22 ) 4.0 1.2 1.0 ! A.2867 at 1.01e+07 assign (resid 27 and name HA ) (resid 31 and name HN ) 4.5 2.2 2.0 ! A.173 at 4.42e+06 assign (resid 27 and name HB1 ) (resid 31 and name HN ) 4.5 2.2 2.0 ! A.178 at 3.44e+06 assign (resid 27 and name HE3 ) (resid 31 and name HN ) 4.5 2.2 2.0 ! A.2422 at 4.28e+06 assign (resid 27 and name HB# ) (resid 32 and name HN ) 4.0 2.2 1.5 ! A.1336 at 7.26e+06 assign (resid 27 and name HE3 ) (resid 32 and name HN ) 4.5 2.2 2.0 ! A.1332 at 1.53e+06 assign (resid 27 and name HE1 ) (resid 99 and name HG2# ) 4.5 1.5 2.5 ! A.2012 at 3.36e+06 assign (resid 27 and name HE1 ) (resid 99 and name HA ) 4.5 1.5 2.5 ! A.2006 at 2.38e+06 assign (resid 27 and name HN ) (resid 99 and name HG2# ) 4.5 2.2 2.5 ! A.444 at 6.43e+06 assign (resid 27 and name HN ) (resid 99 and name HA ) 4.5 2.2 2.0 ! A.436 at 6.04e+06 assign (resid 27 and name HN ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.433 at 6.09e+06 assign (resid 27 and name HD1 ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.2000 at 4.18e+06 assign (resid 27 and name HE1 ) (resid 100 and name HG1# ) 4.5 1.5 2.5 ! A.2014 at 2.54e+06 assign (resid 27 and name HN ) (resid 100 and name HB ) 4.5 2.2 2.0 ! A.443 at 3.59e+06 assign (resid 27 and name HB1 ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.11 at 6.34e+06 assign (resid 27 and name HA ) (resid 100 and name HN ) 2.5 0.7 0.6 ! A.7 at 3.24e+07 assign (resid 27 and name HE1 ) (resid 100 and name HG2# ) 4.5 1.5 2.5 ! A.2016 at 2.02e+06 ! Q28 assign (resid 28 and name HB# ) (resid 28 and name HN ) 2.5 0.7 1.1 ! A.2027 at 5.29e+07 assign (resid 28 and name HG2 ) (resid 28 and name HN ) 2.7 0.7 0.6 ! A.2028 at 3.44e+07 assign (resid 28 and name HG1 ) (resid 28 and name HN ) 2.7 0.7 0.6 ! A.2029 at 2.58e+07 assign (resid 28 and name HB# ) (resid 28 and name HE21 ) 4.5 1.2 1.5 ! A.2854 at 6.91e+06 assign (resid 28 and name HG2 ) (resid 28 and name HE21 ) 2.5 0.7 0.7 ! A.2855 at 4.19e+07 assign (resid 28 and name HG1 ) (resid 28 and name HE21 ) 2.5 0.7 0.7 ! A.2856 at 3.06e+07 assign (resid 28 and name HA ) (resid 28 and name HE21 ) 4.5 1.5 2.0 ! A.2858 at 4.52e+06 assign (resid 28 and name HB# ) (resid 28 and name HE22 ) 4.0 1.2 1.5 ! A.2862 at 6.91e+06 assign (resid 28 and name HG2 ) (resid 28 and name HE22 ) 3.0 0.7 0.7 ! A.2863 at 4.19e+07 assign (resid 28 and name HG1 ) (resid 28 and name HE22 ) 3.0 0.7 0.7 ! A.2864 at 3.06e+07 assign (resid 28 and name HA ) (resid 28 and name HE22 ) 4.5 1.5 2.0 ! A.2866 at 4.52e+06 assign (resid 28 and name HN ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.2420 at 7.47e+06 assign (resid 28 and name HB# ) (resid 31 and name HN ) 4.0 2.2 1.5 ! A.2417 at 9.92e+06 assign (resid 28 and name HN ) (resid 99 and name HG2# ) 2.5 0.7 1.1 ! A.2024 at 3.51e+07 assign (resid 28 and name HN ) (resid 99 and name HB ) 4.5 2.2 2.0 ! A.2032 at 4.55e+06 assign (resid 28 and name HN ) (resid 99 and name HA ) 4.0 2.2 1.0 ! A.2035 at 8.67e+06 assign (resid 28 and name HE21 ) (resid 99 and name HG2# ) 3.0 1.2 1.3 ! A.2852 at 1.49e+07 assign (resid 28 and name HE21 ) (resid 99 and name HB ) 4.5 1.5 2.5 ! A.2857 at 3.51e+06 assign (resid 28 and name HE22 ) (resid 99 and name HG2# ) 3.5 1.2 1.3 ! A.2860 at 1.49e+07 assign (resid 28 and name HE22 ) (resid 99 and name HB ) 4.5 2.2 2.0 ! A.2865 at 3.51e+06 assign (resid 28 and name HG# ) (resid 100 and name HN ) 4.5 2.2 2.5 ! A.12 at 1.94e+06 assign (resid 28 and name HN ) (resid 100 and name HG2# ) 4.5 2.2 2.5 ! A.2022 at 6.06e+06 assign (resid 28 and name HN ) (resid 100 and name HG1# ) 4.0 2.2 1.5 ! A.2023 at 7.15e+06 assign (resid 28 and name HN ) (resid 100 and name HB ) 3.0 0.7 0.6 ! A.2025 at 1.91e+07 assign (resid 28 and name HN ) (resid 100 and name HA ) 4.5 2.2 2.0 ! A.2031 at 5.28e+06 assign (resid 28 and name HN ) (resid 100 and name HN ) 3.0 0.7 0.6 ! A.2039 at 1.59e+07 assign (resid 28 and name HN ) (resid 101 and name HA ) 4.0 2.2 1.0 ! A.2036 at 8.67e+06 assign (resid 28 and name HE21 ) (resid 101 and name HG2# ) 4.0 1.2 1.0 ! A.2853 at 1.23e+07 assign (resid 28 and name HE22 ) (resid 101 and name HG2# ) 4.5 1.2 1.0 ! A.2861 at 1.23e+07 ! S29 assign (resid 29 and name HA ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.175 at 9.97e+06 assign (resid 29 and name HB# ) (resid 32 and name HN ) 4.5 2.2 2.5 ! A.1338 at 4.25e+06 assign (resid 29 and name HA ) (resid 32 and name HN ) 3.0 0.7 0.6 ! A.1333 at 2.08e+07 assign (resid 29 and name HB# ) (resid 33 and name HN ) 4.5 2.2 2.5 ! A.1175 at 5.35e+06 ! M30 assign (resid 30 and name HB# ) (resid 30 and name HN ) 4.5 2.2 2.5 ! A.2757 at 4.01e+06 assign (resid 30 and name HG2 ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.2758 at 2.44e+06 assign (resid 30 and name HG1 ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.2759 at 2.54e+06 assign (resid 30 and name HG# ) (resid 31 and name HN ) 2.5 0.7 1.1 ! A.180 at 2.92e+07 assign (resid 30 and name HB2 ) (resid 31 and name HN ) 3.0 0.7 0.6 ! A.2417 at 1.92e+07 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.0 0.7 0.6 ! A.2419 at 1.61e+07 assign (resid 30 and name HN ) (resid 31 and name HN ) 4.5 2.2 2.0 ! A.2762 at 1.86e+06 assign (resid 30 and name HN ) (resid 31 and name HA ) 4.5 2.2 2.0 ! A.2760 at 2.07e+06 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 3.5 0.7 0.6 ! A.182 at 1.49e+07 assign (resid 30 and name HA ) (resid 32 and name HN ) 4.5 2.2 2.0 ! A.3668 at 5.92e+06 assign (resid 30 and name HB1 ) (resid 32 and name HN ) 4.5 2.2 2.0 ! A.1340 at 6.50e+06 assign (resid 30 and name HB2 ) (resid 32 and name HN ) 4.5 2.2 2.0 ! A.1340 at 6.50e+06 assign (resid 30 and name HA ) (resid 33 and name HN ) 3.0 0.7 0.6 ! A.1168 at 1.54e+07 assign (resid 30 and name HG1 ) (resid 33 and name HN ) 4.5 2.2 2.5 ! A.1176 at 6.29e+06 assign (resid 30 and name HG2 ) (resid 33 and name HN ) 4.5 2.2 2.0 ! A.1176 at 6.29e+06 assign (resid 30 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.2434 at 9.13e+06 assign (resid 30 and name HB2 ) (resid 34 and name HN ) 4.5 2.2 2.0 ! A.2435 at 6.06e+06 assign (resid 30 and name HB2 ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.1257 at 1.81e+06 assign (resid 30 and name HB1 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1592 at 5.84e+06 assign (resid 30 and name HA ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1585 at 4.80e+06 assign (resid 30 and name HG1 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1591 at 4.53e+06 assign (resid 30 and name HG2 ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1591 at 7.53e+06 ! A31 assign (resid 31 and name HB# ) (resid 31 and name HN ) 2.5 0.7 1.1 ! A.184 at 1.03e+08 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.5 0.7 0.6 ! A.1331 at 4.97e+07 assign (resid 31 and name HN ) (resid 32 and name HD1# ) 4.5 2.2 2.5 ! A.2415 at 5.07e+06 assign (resid 31 and name HN ) (resid 32 and name HG12 ) 4.0 2.2 1.5 ! A.2416 at 8.78e+06 assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.1334 at 9.09e+06 assign (resid 31 and name HN ) (resid 32 and name HA ) 4.0 2.2 1.5 ! A.177 at 1.16e+07 assign (resid 31 and name HN ) (resid 33 and name HG1 ) 4.5 2.2 2.0 ! A.179 at 4.65e+06 assign (resid 31 and name HN ) (resid 33 and name HN ) 3.5 1.2 0.7 ! A.170 at 1.43e+07 assign (resid 31 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.1180 at 1.05e+07 assign (resid 31 and name HN ) (resid 34 and name HN ) 4.5 2.2 2.0 ! A.218 at 5.01e+06 assign (resid 31 and name HB# ) (resid 34 and name HN ) 4.0 2.2 1.5 ! A.230 at 1.19e+07 assign (resid 31 and name HN ) (resid 100 and name HB ) 4.0 2.2 1.0 ! A.185 at 7.83e+06 assign (resid 31 and name HN ) (resid 100 and name HG1# ) 4.5 2.2 2.5 ! A.186 at 5.61e+06 assign (resid 31 and name HB# ) (resid 100 and name HN ) 4.0 2.2 1.5 ! A.14 at 7.59e+06 assign (resid 31 and name HN ) (resid 101 and name HA ) 4.0 2.2 1.0 ! A.172 at 8.32e+06 assign (resid 31 and name HB# ) (resid 101 and name HN ) 4.5 2.2 2.5 ! A.3655 at 5.39e+06 assign (resid 31 and name HA ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.1253 at 6.62e+06 assign (resid 31 and name HN ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1579 at 6.30e+06 assign (resid 31 and name HN ) (resid 102 and name HA ) 4.0 2.2 1.2 ! A.2418 at 6.77e+06 assign (resid 31 and name HB# ) (resid 102 and name HN ) 3.0 0.7 1.1 ! A.3717 at 1.98e+07 assign (resid 31 and name HN ) (resid 102 and name HB1 ) 4.0 2.2 1.0 ! A.177 at 1.16e+07 ! I32 assign (resid 32 and name HD1# ) (resid 32 and name HN ) 3.0 0.7 1.1 ! A.1346 at 1.63e+07 assign (resid 32 and name HG2# ) (resid 32 and name HN ) 3.0 0.7 1.1 ! A.1344 at 2.03e+07 assign (resid 32 and name HG12 ) (resid 32 and name HN ) 2.5 0.7 0.6 ! A.1343 at 3.21e+07 assign (resid 32 and name HG11 ) (resid 32 and name HN ) 2.5 0.7 0.6 ! A.1342 at 5.93e+07 assign (resid 32 and name HB ) (resid 32 and name HN ) 2.5 0.7 0.6 ! A.1339 at 6.87e+07 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.5 0.7 0.6 ! A.1330 at 4.70e+07 assign (resid 32 and name HG2# ) (resid 33 and name HN ) 3.0 0.7 1.1 ! A.1182 at 2.32e+07 assign (resid 32 and name HD1# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.1184 at 8.22e+06 assign (resid 32 and name HN ) (resid 33 and name HG1 ) 4.5 2.2 2.0 ! A.1337 at 3.01e+06 assign (resid 32 and name HG11 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1180 at 1.05e+07 assign (resid 32 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1173 at 1.06e+07 assign (resid 32 and name HG12 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1181 at 1.04e+07 assign (resid 32 and name HN ) (resid 34 and name HN ) 3.5 0.7 0.6 ! A.1330 at 1.70e+07 assign (resid 32 and name HG2# ) (resid 34 and name HN ) 4.5 2.2 2.5 ! A.233 at 4.76e+06 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.224 at 9.38e+06 assign (resid 32 and name HG2# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! A.1278 at 8.58e+06 assign (resid 32 and name HB ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.3658 at 8.15e+06 assign (resid 32 and name HN ) (resid 35 and name HD1# ) 4.5 2.2 2.5 ! A.1345 at 3.24e+06 assign (resid 32 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.1270 at 1.19e+07 assign (resid 32 and name HN ) (resid 35 and name HN ) 3.5 1.2 1.0 ! A.1330 at 1.30e+07 assign (resid 32 and name HN ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.1329 at 2.57e+06 assign (resid 32 and name HG2# ) (resid 36 and name HE21 ) 3.5 1.2 1.3 ! A.2779 at 1.47e+07 assign (resid 32 and name HG2# ) (resid 36 and name HE22 ) 4.5 1.5 2.5 ! A.2780 at 3.08e+06 assign (resid 32 and name HG2# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.213 at 8.18e+06 assign (resid 32 and name HN ) (resid 100 and name HB ) 4.5 2.2 2.0 ! A.3671 at 4.39e+06 ! M33 assign (resid 33 and name HB2 ) (resid 33 and name HN ) 3.0 0.7 0.6 ! A.1178 at 1.08e+08 assign (resid 33 and name HB1 ) (resid 33 and name HN ) 3.0 2.2 1.0 ! A.1174 at 1.18e+07 assign (resid 33 and name HG1 ) (resid 33 and name HN ) 3.0 0.7 0.6 ! A.1174 at 2.18e+07 assign (resid 33 and name HG2 ) (resid 33 and name HN ) 2.5 0.7 0.6 ! A.1174 at 2.18e+07 assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 0.7 0.6 ! A.221 at 2.01e+07 assign (resid 33 and name HB2 ) (resid 34 and name HN ) 3.0 0.7 0.6 ! A.228 at 5.05e+07 assign (resid 33 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.225 at 8.12e+06 assign (resid 33 and name HG1 ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.225 at 8.12e+06 assign (resid 33 and name HN ) (resid 34 and name HN ) 2.5 0.7 0.6 ! A.1165 at 4.23e+07 assign (resid 33 and name HN ) (resid 34 and name HB# ) 4.0 2.2 1.5 ! A.1181 at 1.04e+07 assign (resid 33 and name HN ) (resid 35 and name HD1# ) 4.5 2.2 2.5 ! A.1183 at 7.26e+06 assign (resid 33 and name HA ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.3656 at 5.45e+06 assign (resid 33 and name HN ) (resid 35 and name HN ) 3.5 0.7 0.6 ! A.1165 at 4.23e+07 assign (resid 33 and name HN ) (resid 35 and name HB2 ) 4.0 1.2 1.0 ! A.1181 at 1.04e+07 assign (resid 33 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.202 at 1.12e+07 assign (resid 33 and name HN ) (resid 36 and name HB2 ) 4.0 2.2 1.5 ! A.1179 at 9.07e+06 assign (resid 33 and name HN ) (resid 36 and name HE21 ) 4.5 2.2 2.5 ! A.2638 at 3.05e+06 assign (resid 33 and name HA ) (resid 36 and name HE21 ) 4.5 1.5 2.0 ! A.2771 at 4.59e+06 assign (resid 33 and name HN ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.1164 at 2.20e+06 assign (resid 33 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.2505 at 1.12e+07 assign (resid 33 and name HB1 ) (resid 37 and name HN ) 4.5 2.2 2.0 ! A.587 at 2.25e+06 assign (resid 33 and name HB1 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1590 at 1.57e+06 assign (resid 33 and name HN ) (resid 102 and name HB1 ) 4.0 2.2 1.0 ! A.1173 at 6.56e+06 ! A34 assign (resid 34 and name HB# ) (resid 34 and name HN ) 2.5 0.7 1.1 ! A.232 at 1.37e+08 assign (resid 34 and name HN ) (resid 35 and name HG ) 4.5 2.2 2.0 ! A.231 at 4.12e+06 assign (resid 34 and name HN ) (resid 35 and name HD1# ) 4.5 2.2 2.5 ! A.2436 at 5.14e+06 assign (resid 34 and name HN ) (resid 36 and name HG1 ) 4.5 2.2 2.0 ! A.227 at 1.70e+06 assign (resid 34 and name HB# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.212 at 9.40e+06 assign (resid 34 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.204 at 8.58e+06 assign (resid 34 and name HN ) (resid 36 and name HN ) 3.0 0.7 1.0 ! A.201 at 1.43e+07 assign (resid 34 and name HN ) (resid 37 and name HG1 ) 4.5 2.2 2.0 ! A.226 at 2.47e+06 assign (resid 34 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.6 ! A.2506 at 1.74e+07 assign (resid 34 and name HB# ) (resid 38 and name HN ) 4.5 2.2 2.5 ! A.368 at 4.38e+06 assign (resid 34 and name HN ) (resid 102 and name HB1 ) 4.0 2.2 1.0 ! A.224 at 9.38e+06 assign (resid 34 and name HN ) (resid 102 and name HB2 ) 4.0 2.2 1.0 ! A.224 at 9.38e+06 assign (resid 34 and name HB# ) (resid 102 and name HN ) 4.5 2.2 2.5 ! A.1596 at 3.51e+06 assign (resid 34 and name HN ) (resid 105 and name HG1# ) 4.0 2.2 1.5 ! A.2431 at 6.98e+06 assign (resid 34 and name HB# ) (resid 105 and name HN ) 4.5 2.2 2.5 ! A.1325 at 5.70e+06 assign (resid 34 and name HN ) (resid 105 and name HG2# ) 4.0 2.2 1.5 ! A.234 at 1.00e+07 ! L35 assign (resid 35 and name HB1 ) (resid 35 and name HN ) 3.0 0.7 0.6 ! A.1272 at 4.71e+07 assign (resid 35 and name HD2# ) (resid 35 and name HN ) 3.0 0.7 1.1 ! A.1280 at 3.51e+07 assign (resid 35 and name HB2 ) (resid 35 and name HN ) 2.5 0.7 0.6 ! A.1277 at 6.85e+07 assign (resid 35 and name HD1# ) (resid 35 and name HN ) 2.5 0.7 1.1 ! A.1279 at 2.02e+07 assign (resid 35 and name HG ) (resid 35 and name HN ) 3.0 0.7 0.6 ! A.3659 at 1.07e+07 assign (resid 35 and name HD1# ) (resid 36 and name HN ) 4.5 2.2 2.5 ! A.215 at 5.71e+06 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.5 0.7 0.6 ! A.1264 at 3.51e+07 assign (resid 35 and name HG ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.2438 at 5.36e+06 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.212 at 9.40e+06 assign (resid 35 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.204 at 8.58e+06 assign (resid 35 and name HN ) (resid 36 and name HA ) 4.0 2.2 1.0 ! A.1270 at 6.69e+06 assign (resid 35 and name HN ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.584 at 8.93e+06 assign (resid 35 and name HN ) (resid 37 and name HB2 ) 4.0 2.2 1.5 ! A.1273 at 8.67e+06 assign (resid 35 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.597 at 7.08e+06 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.5 1.2 0.7 ! A.2467 at 1.35e+07 assign (resid 35 and name HD1# ) (resid 38 and name HN ) 4.5 2.2 2.5 ! A.2468 at 5.56e+06 assign (resid 35 and name HN ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.352 at 3.15e+06 assign (resid 35 and name HN ) (resid 38 and name HB# ) 3.5 1.2 1.2 ! A.1274 at 1.25e+07 assign (resid 35 and name HN ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.1265 at 4.28e+06 assign (resid 35 and name HB1 ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.1629 at 4.24e+06 assign (resid 35 and name HN ) (resid 102 and name HA ) 4.5 2.2 2.0 ! A.3657 at 3.52e+06 assign (resid 35 and name HN ) (resid 105 and name HG1# ) 4.0 2.2 1.5 ! A.1275 at 9.04e+06 ! Q36 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.209 at 1.06e+07 assign (resid 36 and name HB2 ) (resid 36 and name HN ) 2.5 0.7 0.6 ! A.207 at 2.95e+07 assign (resid 36 and name HG# ) (resid 36 and name HN ) 2.5 0.7 1.1 ! A.2437 at 2.44e+07 assign (resid 36 and name HA ) (resid 36 and name HE21 ) 4.5 1.5 2.0 ! A.2774 at 3.37e+06 assign (resid 36 and name HG1 ) (resid 36 and name HE21 ) 2.5 0.7 0.7 ! A.2775 at 1.52e+07 assign (resid 36 and name HG2 ) (resid 36 and name HE21 ) 3.5 1.2 0.8 ! A.2776 at 1.37e+07 assign (resid 36 and name HB# ) (resid 36 and name HE21 ) 2.5 0.7 1.2 ! A.2777 at 1.97e+07 assign (resid 36 and name HB# ) (resid 36 and name HE22 ) 4.5 1.5 2.5 ! A.2782 at 3.57e+06 assign (resid 36 and name HG1 ) (resid 36 and name HE22 ) 4.5 1.5 2.0 ! A.2783 at 2.69e+06 assign (resid 36 and name HG1 ) (resid 36 and name HN ) 2.5 0.7 0.6 ! A.206 at 2.69e+07 assign (resid 36 and name HG2 ) (resid 36 and name HN ) 2.5 0.7 0.6 ! A.206 at 2.69e+07 assign (resid 36 and name HN ) (resid 37 and name HA ) 4.5 2.2 2.0 ! A.203 at 2.95e+06 assign (resid 36 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.586 at 1.17e+07 assign (resid 36 and name HE21 ) (resid 37 and name HN ) 4.5 2.2 2.0 ! A.2511 at 3.99e+06 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.5 0.7 0.6 ! A.199 at 1.30e+08 assign (resid 36 and name HN ) (resid 38 and name HB# ) 4.5 2.2 2.5 ! A.210 at 2.39e+06 assign (resid 36 and name HA ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.360 at 2.92e+06 assign (resid 36 and name HN ) (resid 38 and name HN ) 3.0 0.7 0.6 ! A.349 at 1.73e+07 assign (resid 36 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1624 at 1.05e+07 assign (resid 36 and name HN ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1613 at 7.84e+06 assign (resid 36 and name HB1 ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.1629 at 4.24e+06 assign (resid 36 and name HE21 ) (resid 39 and name HN ) 4.5 2.2 2.5 ! A.3719 at 4.96e+06 assign (resid 36 and name HE22 ) (resid 39 and name HN ) 4.5 2.2 2.5 ! A.3720 at 9.79e+06 ! E37 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 3.0 0.7 0.6 ! A.592 at 7.13e+07 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 2.5 0.7 0.6 ! A.593 at 6.02e+07 assign (resid 37 and name HG2 ) (resid 37 and name HN ) 2.5 0.7 0.6 ! A.590 at 4.02e+07 assign (resid 37 and name HG1 ) (resid 37 and name HN ) 3.0 0.7 0.6 ! A.588 at 1.42e+07 assign (resid 37 and name HG1 ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.361 at 3.14e+06 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 0.6 ! A.349 at 1.73e+07 assign (resid 37 and name HN ) (resid 38 and name HB# ) 4.0 2.2 1.5 ! A.595 at 9.48e+06 assign (resid 37 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.358 at 1.04e+07 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 2.5 0.7 0.6 ! A.363 at 2.35e+07 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 3.0 0.7 0.6 ! A.363 at 2.35e+07 assign (resid 37 and name HG2 ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.362 at 5.53e+06 assign (resid 37 and name HN ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1613 at 7.84e+06 assign (resid 37 and name HB2 ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.1629 at 4.24e+06 assign (resid 37 and name HN ) (resid 40 and name HG1 ) 4.5 2.2 2.0 ! A.594 at 3.53e+06 assign (resid 37 and name HN ) (resid 40 and name HB2 ) 4.5 2.2 2.5 ! A.596 at 4.85e+06 assign (resid 37 and name HA ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.125 at 2.35e+06 assign (resid 37 and name HN ) (resid 105 and name HG1# ) 4.5 2.2 2.5 ! A.2509 at 4.54e+06 ! A38 assign (resid 38 and name HB# ) (resid 38 and name HN ) 2.5 0.7 1.1 ! A.365 at 6.46e+07 assign (resid 38 and name HB# ) (resid 39 and name HN ) 2.5 0.7 1.1 ! A.1631 at 4.23e+07 assign (resid 38 and name HN ) (resid 39 and name HN ) 2.5 0.7 0.6 ! A.351 at 2.21e+07 assign (resid 38 and name HA ) (resid 39 and name HN ) 3.0 0.7 0.6 ! A.1620 at 4.56e+07 assign (resid 38 and name HB# ) (resid 40 and name HN ) 4.5 2.2 2.5 ! A.130 at 2.50e+06 assign (resid 38 and name HN ) (resid 40 and name HG1 ) 4.5 2.2 2.0 ! A.364 at 4.14e+06 assign (resid 38 and name HN ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.354 at 2.44e+06 assign (resid 38 and name HN ) (resid 41 and name HB# ) 4.0 2.2 1.5 ! A.366 at 8.38e+06 assign (resid 38 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.816 at 3.31e+06 assign (resid 38 and name HA ) (resid 41 and name HN ) 3.0 0.7 0.6 ! A.823 at 1.34e+07 assign (resid 38 and name HN ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.350 at 2.56e+06 assign (resid 38 and name HB# ) (resid 42 and name HN ) 4.5 2.2 1.5 ! A.733 at 7.93e+06 assign (resid 38 and name HN ) (resid 80 and name HZ ) 4.5 2.2 2.0 ! A.355 at 3.91e+06 assign (resid 38 and name HN ) (resid 105 and name HG1# ) 4.5 2.2 2.5 ! A.369 at 1.55e+06 assign (resid 38 and name HN ) (resid 109 and name HD1# ) 4.0 2.2 1.5 ! A.370 at 1.10e+07 ! S39 assign (resid 39 and name HB2 ) (resid 39 and name HN ) 2.7 0.7 0.6 ! A.1623 at 3.47e+07 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 3.0 0.7 0.6 ! A.1623 at 3.47e+07 assign (resid 39 and name HN ) (resid 40 and name HB2 ) 4.5 2.2 2.0 ! A.1633 at 4.51e+06 assign (resid 39 and name HN ) (resid 40 and name HA ) 4.5 2.2 2.0 ! A.1625 at 4.53e+06 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.122 at 6.17e+06 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.125 at 2.35e+06 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.125 at 2.35e+06 assign (resid 39 and name HA ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.124 at 4.88e+06 assign (resid 39 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1617 at 6.11e+06 assign (resid 39 and name HA ) (resid 42 and name HN ) 3.0 0.7 0.6 ! A.2538 at 1.43e+07 assign (resid 39 and name HN ) (resid 42 and name HB1 ) 4.5 2.2 2.0 ! A.1626 at 2.27e+06 assign (resid 39 and name HN ) (resid 42 and name HB2 ) 4.5 2.2 2.0 ! A.1627 at 2.50e+06 assign (resid 39 and name HN ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1614 at 1.05e+07 assign (resid 39 and name HA ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.945 at 4.85e+06 ! E40 assign (resid 40 and name HG1 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.129 at 8.07e+06 assign (resid 40 and name HG2 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.127 at 3.39e+06 assign (resid 40 and name HB1 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.132 at 5.83e+06 assign (resid 40 and name HB2 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.132 at 5.83e+06 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 0.7 0.6 ! A.822 at 2.29e+07 assign (resid 40 and name HA ) (resid 41 and name HN ) 3.5 1.2 0.7 ! A.826 at 1.40e+07 assign (resid 40 and name HG2 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.830 at 8.36e+06 assign (resid 40 and name HG1 ) (resid 41 and name HN ) 2.5 0.7 0.6 ! A.831 at 3.23e+07 assign (resid 40 and name HN ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.2534 at 3.17e+06 assign (resid 40 and name HA ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.2539 at 4.15e+06 assign (resid 40 and name HG# ) (resid 43 and name HN ) 4.5 2.2 1.5 ! A.841 at 7.96e+06 assign (resid 40 and name HN ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.944 at 2.79e+06 assign (resid 40 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.949 at 8.55e+06 assign (resid 40 and name HN ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1229 at 1.54e+06 assign (resid 40 and name HA ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1232 at 6.34e+06 ! A41 assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.5 0.7 1.1 ! A.833 at 1.39e+08 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 0.6 ! A.818 at 3.63e+07 assign (resid 41 and name HN ) (resid 42 and name HB1 ) 4.5 2.2 2.0 ! A.827 at 5.23e+06 assign (resid 41 and name HN ) (resid 42 and name HB2 ) 4.5 2.2 2.0 ! A.828 at 6.05e+06 assign (resid 41 and name HB# ) (resid 42 and name HN ) 2.5 0.7 1.1 ! A.734 at 4.84e+07 assign (resid 41 and name HN ) (resid 43 and name HN ) 3.0 0.7 0.6 ! A.820 at 2.27e+07 assign (resid 41 and name HB# ) (resid 43 and name HN ) 4.0 2.2 1.5 ! A.954 at 9.29e+06 assign (resid 41 and name HA ) (resid 43 and name HN ) 3.5 0.7 0.6 ! A.840 at 1.98e+07 assign (resid 41 and name HN ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1227 at 5.04e+06 assign (resid 41 and name HB# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.1240 at 7.18e+06 assign (resid 41 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.1230 at 1.03e+07 assign (resid 41 and name HN ) (resid 45 and name HN ) 4.5 2.2 2.0 ! A.821 at 3.22e+06 assign (resid 41 and name HB# ) (resid 45 and name HN ) 4.0 2.2 1.5 ! A.1854 at 6.68e+06 assign (resid 41 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.2 ! A.1843 at 1.14e+07 ! Y42 assign (resid 42 and name HB2 ) (resid 42 and name HN ) 2.5 0.7 0.6 ! A.730 at 5.33e+07 assign (resid 42 and name HD1 ) (resid 42 and name HN ) 3.5 0.7 1.0 ! A.2535 at 1.71e+07 assign (resid 42 and name HD2 ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.2536 at 7.21e+06 assign (resid 42 and name HE# ) (resid 42 and name HN ) 4.5 2.2 2.5 ! A.2537 at 4.87e+06 assign (resid 42 and name HB1 ) (resid 42 and name HN ) 2.5 0.7 0.6 ! A.2540 at 5.22e+07 assign (resid 42 and name HN ) (resid 43 and name HB2 ) 4.5 2.2 2.0 ! A.792 at 4.63e+06 assign (resid 42 and name HN ) (resid 43 and name HN ) 2.5 0.7 0.6 ! A.940 at 4.43e+07 assign (resid 42 and name HN ) (resid 43 and name HB1 ) 4.5 2.2 2.0 ! A.2541 at 6.47e+06 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 2.5 0.7 0.6 ! A.950 at 2.09e+07 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.0 0.7 0.6 ! A.2588 at 1.47e+07 assign (resid 42 and name HD2 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.2589 at 4.03e+06 assign (resid 42 and name HD1 ) (resid 43 and name HN ) 4.0 0.7 1.2 ! A.2590 at 1.05e+07 assign (resid 42 and name HE# ) (resid 43 and name HN ) 4.5 2.2 2.5 ! A.2591 at 4.74e+06 assign (resid 42 and name HN ) (resid 43 and name HG ) 4.0 2.2 1.0 ! A.619 at 8.25e+06 assign (resid 42 and name HN ) (resid 43 and name HA ) 4.5 2.2 2.0 ! A.727 at 5.20e+06 assign (resid 42 and name HA ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.946 at 4.16e+06 assign (resid 42 and name HB1 ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1234 at 2.46e+06 assign (resid 42 and name HB2 ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1235 at 1.73e+06 assign (resid 42 and name HN ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1225 at 4.57e+06 assign (resid 42 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.1230 at 7.03e+06 assign (resid 42 and name HB1 ) (resid 45 and name HN ) 4.5 2.2 2.0 ! A.1848 at 2.21e+06 assign (resid 42 and name HB2 ) (resid 45 and name HN ) 4.5 2.2 2.0 ! A.1849 at 2.49e+06 assign (resid 42 and name HN ) (resid 45 and name HN ) 4.5 2.2 2.0 ! A.722 at 4.09e+06 assign (resid 42 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.1843 at 1.14e+07 assign (resid 42 and name HN ) (resid 46 and name HN ) 4.5 2.2 2.0 ! A.236 at 2.56e+06 ! L43 assign (resid 43 and name HD1# ) (resid 43 and name HN ) 4.5 2.2 2.5 ! A.956 at 4.57e+06 assign (resid 43 and name HB# ) (resid 43 and name HN ) 2.5 0.7 1.1 ! A.952 at 4.23e+07 assign (resid 43 and name HD2# ) (resid 43 and name HN ) 3.0 0.7 1.1 ! A.2585 at 1.95e+07 assign (resid 43 and name HB2 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.953 at 5.18e+06 assign (resid 43 and name HG ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.953 at 5.18e+06 assign (resid 43 and name HN ) (resid 44 and name HN ) 2.5 0.7 0.6 ! A.1226 at 2.37e+07 assign (resid 43 and name HN ) (resid 44 and name HB ) 4.5 2.2 2.0 ! A.951 at 3.12e+06 assign (resid 43 and name HN ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.957 at 4.01e+06 assign (resid 43 and name HB1 ) (resid 44 and name HN ) 2.5 0.7 0.6 ! A.1237 at 2.19e+07 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.0 0.7 0.6 ! A.1231 at 1.41e+07 assign (resid 43 and name HB2 ) (resid 44 and name HN ) 3.5 1.2 0.7 ! A.1238 at 1.49e+07 assign (resid 43 and name HG ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.1238 at 7.49e+06 assign (resid 43 and name HN ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.1841 at 7.07e+06 assign (resid 43 and name HB2 ) (resid 45 and name HN ) 4.5 2.2 2.0 ! A.1852 at 6.15e+06 assign (resid 43 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.1851 at 7.07e+06 assign (resid 43 and name HD2# ) (resid 46 and name HN ) 4.0 2.2 1.5 ! A.2453 at 8.47e+06 assign (resid 43 and name HN ) (resid 46 and name HB1 ) 4.5 2.2 2.0 ! A.844 at 5.91e+06 assign (resid 43 and name HN ) (resid 46 and name HN ) 4.5 2.2 2.0 ! A.942 at 4.70e+06 assign (resid 43 and name HN ) (resid 46 and name HB2 ) 4.5 2.2 2.0 ! A.955 at 1.88e+06 assign (resid 43 and name HN ) (resid 46 and name HD1# ) 4.5 2.2 2.5 ! A.2584 at 5.05e+06 assign (resid 43 and name HA ) (resid 46 and name HN ) 2.5 0.7 0.6 ! A.241 at 7.56e+07 assign (resid 43 and name HG ) (resid 46 and name HN ) 4.0 2.2 1.5 ! A.245 at 9.32e+06 assign (resid 43 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.245 at 9.32e+06 assign (resid 43 and name HA ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.1172 at 7.18e+06 ! V44 assign (resid 44 and name HG2# ) (resid 44 and name HN ) 2.5 0.7 1.1 ! A.1244 at 3.30e+07 assign (resid 44 and name HB ) (resid 44 and name HN ) 3.0 0.7 0.6 ! A.1236 at 6.62e+07 assign (resid 44 and name HG1# ) (resid 44 and name HN ) 2.5 0.7 1.1 ! A.1242 at 7.24e+07 assign (resid 44 and name HG1# ) (resid 45 and name HN ) 3.0 0.7 1.1 ! A.1856 at 1.69e+07 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.5 1.2 0.7 ! A.1845 at 1.29e+07 assign (resid 44 and name HG2# ) (resid 45 and name HN ) 2.5 0.7 1.1 ! A.1857 at 2.20e+07 assign (resid 44 and name HN ) (resid 45 and name HN ) 2.5 0.7 0.6 ! A.1228 at 1.77e+07 assign (resid 44 and name HB ) (resid 45 and name HN ) 2.5 0.7 0.6 ! A.1850 at 4.18e+07 assign (resid 44 and name HN ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.1228 at 7.77e+06 assign (resid 44 and name HA ) (resid 46 and name HN ) 4.5 2.2 2.0 ! A.242 at 6.28e+06 assign (resid 44 and name HG1# ) (resid 46 and name HN ) 4.5 2.2 2.5 ! A.249 at 5.62e+06 assign (resid 44 and name HN ) (resid 46 and name HB1 ) 4.5 2.2 2.0 ! A.1239 at 2.76e+06 assign (resid 44 and name HN ) (resid 46 and name HB2 ) 4.5 2.2 2.0 ! A.1241 at 2.59e+06 assign (resid 44 and name HB ) (resid 46 and name HN ) 4.5 2.2 2.0 ! A.243 at 3.63e+06 assign (resid 44 and name HG2# ) (resid 46 and name HN ) 4.0 1.2 1.2 ! A.168 at 1.30e+07 assign (resid 44 and name HN ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1185 at 2.75e+06 assign (resid 44 and name HG1# ) (resid 47 and name HN ) 4.5 2.2 2.5 ! A.1199 at 4.69e+06 assign (resid 44 and name HA ) (resid 47 and name HN ) 3.0 0.7 0.6 ! A.1190 at 1.58e+07 assign (resid 44 and name HB ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1192 at 4.17e+06 assign (resid 44 and name HA ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1480 at 5.35e+06 ! G45 assign (resid 45 and name HN ) (resid 46 and name HB2 ) 4.0 2.2 1.0 ! A.1855 at 7.20e+06 assign (resid 45 and name HN ) (resid 46 and name HD1# ) 4.5 2.2 2.5 ! A.2755 at 2.71e+06 assign (resid 45 and name HN ) (resid 46 and name HB1 ) 4.5 2.2 2.0 ! A.1853 at 5.33e+06 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.5 0.7 0.6 ! A.238 at 3.49e+07 assign (resid 45 and name HA1 ) (resid 46 and name HN ) 2.5 0.7 0.6 ! A.241 at 7.56e+07 assign (resid 45 and name HA2 ) (resid 46 and name HN ) 3.0 0.7 0.6 ! A.241 at 7.56e+07 assign (resid 45 and name HN ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.1841 at 7.07e+06 assign (resid 45 and name HA2 ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1172 at 6.18e+06 assign (resid 45 and name HA1 ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1172 at 6.18e+06 assign (resid 45 and name HN ) (resid 47 and name HB1 ) 4.0 2.2 1.0 ! A.1851 at 7.07e+06 assign (resid 45 and name HA2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1479 at 1.01e+07 assign (resid 45 and name HA1 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1479 at 1.01e+07 assign (resid 45 and name HN ) (resid 48 and name HB2 ) 4.0 2.2 1.0 ! A.1851 at 7.07e+06 assign (resid 45 and name HA2 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1662 at 4.01e+06 assign (resid 45 and name HA1 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1662 at 4.01e+06 ! L46 assign (resid 46 and name HB1 ) (resid 46 and name HN ) 3.0 0.7 0.6 ! A.246 at 4.34e+07 assign (resid 46 and name HD1# ) (resid 46 and name HN ) 3.0 0.7 1.1 ! A.250 at 3.38e+07 assign (resid 46 and name HD2# ) (resid 46 and name HN ) 3.0 0.7 1.1 ! A.250 at 3.38e+07 assign (resid 46 and name HB2 ) (resid 46 and name HN ) 2.5 0.7 0.6 ! A.248 at 6.62e+07 assign (resid 46 and name HG ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.248 at 8.62e+06 assign (resid 46 and name HN ) (resid 47 and name HB2 ) 4.0 1.2 1.5 ! A.247 at 1.15e+07 assign (resid 46 and name HN ) (resid 47 and name HA ) 4.5 2.2 2.0 ! A.239 at 5.45e+06 assign (resid 46 and name HN ) (resid 47 and name HN ) 2.5 0.7 0.6 ! A.1187 at 3.68e+07 assign (resid 46 and name HN ) (resid 47 and name HB1 ) 3.5 1.2 0.7 ! A.244 at 1.30e+07 assign (resid 46 and name HA ) (resid 47 and name HN ) 3.0 0.7 0.6 ! A.1171 at 1.58e+07 assign (resid 46 and name HD2# ) (resid 47 and name HN ) 3.5 1.2 1.2 ! A.1201 at 1.34e+07 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 3.0 0.7 0.6 ! A.1181 at 3.04e+07 assign (resid 46 and name HG ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.1181 at 1.04e+07 assign (resid 46 and name HB1 ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1486 at 2.47e+06 assign (resid 46 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1478 at 8.33e+06 assign (resid 46 and name HG ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1489 at 4.66e+06 assign (resid 46 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.1661 at 6.70e+06 assign (resid 46 and name HG ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1671 at 2.37e+06 assign (resid 46 and name HB1 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1669 at 2.41e+06 assign (resid 46 and name HN ) (resid 49 and name HN ) 3.5 0.7 0.6 ! A.1655 at 2.18e+07 assign (resid 46 and name HN ) (resid 50 and name HG2# ) 4.0 2.2 1.5 ! A.2454 at 9.92e+06 assign (resid 46 and name HA ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1770 at 2.84e+06 ! L47 assign (resid 47 and name HG ) (resid 47 and name HN ) 3.5 0.7 0.6 ! A.1196 at 2.56e+07 assign (resid 47 and name HB1 ) (resid 47 and name HN ) 2.5 0.7 0.6 ! A.1194 at 9.29e+07 assign (resid 47 and name HB2 ) (resid 47 and name HN ) 2.5 0.7 0.6 ! A.1197 at 3.00e+07 assign (resid 47 and name HD1# ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.2650 at 8.86e+06 assign (resid 47 and name HD2# ) (resid 47 and name HN ) 3.0 0.7 1.1 ! A.1200 at 3.74e+07 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 3.5 1.2 0.7 ! A.1488 at 1.49e+07 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 2.5 0.7 0.6 ! A.1485 at 4.34e+07 assign (resid 47 and name HN ) (resid 48 and name HG1 ) 4.5 2.2 2.0 ! A.1192 at 4.17e+06 assign (resid 47 and name HN ) (resid 48 and name HN ) 2.5 0.7 0.6 ! A.1471 at 3.65e+07 assign (resid 47 and name HG ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1487 at 4.91e+06 assign (resid 47 and name HD2# ) (resid 48 and name HN ) 3.5 1.2 1.2 ! A.1492 at 1.30e+07 assign (resid 47 and name HN ) (resid 49 and name HB2 ) 4.5 2.2 2.0 ! A.1191 at 1.66e+06 assign (resid 47 and name HN ) (resid 49 and name HN ) 3.0 0.7 0.6 ! A.1187 at 3.68e+07 assign (resid 47 and name HB2 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1670 at 2.10e+06 assign (resid 47 and name HB1 ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.1668 at 1.18e+07 assign (resid 47 and name HD1# ) (resid 49 and name HN ) 4.5 2.2 2.5 ! A.1673 at 2.28e+06 assign (resid 47 and name HD2# ) (resid 49 and name HN ) 4.5 2.2 2.5 ! A.3721 at 2.29e+06 assign (resid 47 and name HG ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1669 at 2.41e+06 assign (resid 47 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.1660 at 9.14e+06 assign (resid 47 and name HN ) (resid 50 and name HG2# ) 4.5 2.2 2.5 ! A.1198 at 6.00e+06 assign (resid 47 and name HD1# ) (resid 50 and name HN ) 4.5 2.2 2.5 ! A.1777 at 2.15e+06 assign (resid 47 and name HN ) (resid 50 and name HN ) 3.5 0.7 1.0 ! A.1186 at 3.70e+07 assign (resid 47 and name HB1 ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1774 at 1.57e+06 assign (resid 47 and name HG ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1775 at 1.69e+06 assign (resid 47 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1769 at 7.87e+06 ! E48 assign (resid 48 and name HG1 ) (resid 48 and name HN ) 2.5 0.7 0.6 ! A.1482 at 2.35e+07 assign (resid 48 and name HG2 ) (resid 48 and name HN ) 2.7 0.7 0.6 ! A.3683 at 1.69e+07 assign (resid 48 and name HB2 ) (resid 48 and name HN ) 2.5 0.7 0.6 ! A.1484 at 3.10e+07 assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.0 0.7 0.6 ! A.1484 at 2.10e+07 assign (resid 48 and name HN ) (resid 49 and name HB2 ) 4.5 2.2 2.0 ! A.1481 at 3.58e+06 assign (resid 48 and name HN ) (resid 49 and name HA ) 4.5 2.2 2.0 ! A.1474 at 3.87e+06 assign (resid 48 and name HG1 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1666 at 2.61e+06 assign (resid 48 and name HG2 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1665 at 2.95e+06 assign (resid 48 and name HB1 ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.1667 at 1.18e+07 assign (resid 48 and name HB2 ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.1667 at 1.18e+07 assign (resid 48 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.1660 at 1.14e+07 assign (resid 48 and name HN ) (resid 49 and name HN ) 2.5 0.7 0.6 ! A.1655 at 2.18e+08 assign (resid 48 and name HN ) (resid 50 and name HG2# ) 4.5 2.2 2.5 ! A.1490 at 2.32e+06 assign (resid 48 and name HN ) (resid 50 and name HB ) 4.5 2.2 2.5 ! A.1475 at 6.10e+06 assign (resid 48 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1769 at 7.87e+06 assign (resid 48 and name HB2 ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1773 at 1.53e+06 assign (resid 48 and name HB1 ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1773 at 1.53e+06 ! H49 assign (resid 49 and name HD2 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1656 at 5.91e+06 assign (resid 49 and name HB2 ) (resid 49 and name HN ) 2.5 0.7 0.6 ! A.1664 at 2.60e+07 assign (resid 49 and name HB1 ) (resid 49 and name HN ) 3.0 0.7 0.6 ! A.1663 at 1.85e+07 assign (resid 49 and name HN ) (resid 50 and name HA ) 4.5 2.2 2.0 ! A.1658 at 5.05e+06 assign (resid 49 and name HN ) (resid 50 and name HB ) 4.5 2.2 2.0 ! A.1659 at 3.84e+06 assign (resid 49 and name HN ) (resid 50 and name HG2# ) 4.5 2.2 2.5 ! A.1672 at 5.27e+06 assign (resid 49 and name HB2 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1772 at 7.75e+06 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1771 at 7.34e+06 assign (resid 49 and name HN ) (resid 50 and name HN ) 2.5 0.7 0.6 ! A.1765 at 4.66e+07 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.0 0.7 0.6 ! A.1766 at 1.66e+07 ! T50 assign (resid 50 and name HG2# ) (resid 50 and name HN ) 2.5 0.7 1.1 ! A.1776 at 2.31e+07 assign (resid 50 and name HB ) (resid 50 and name HN ) 3.0 0.7 0.6 ! A.1768 at 1.54e+07 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.0 0.7 0.6 ! A.895 at 3.48e+07 assign (resid 50 and name HG2# ) (resid 51 and name HN ) 4.0 2.2 1.5 ! A.903 at 1.15e+07 assign (resid 50 and name HN ) (resid 51 and name HN ) 4.5 2.2 2.0 ! A.1763 at 5.53e+06 assign (resid 50 and name HB ) (resid 51 and name HN ) 3.5 0.7 0.6 ! A.896 at 3.95e+07 assign (resid 50 and name HN ) (resid 51 and name HA ) 4.0 2.2 2.0 ! A.1766 at 6.36e+06 assign (resid 50 and name HG2# ) (resid 52 and name HN ) 4.5 2.2 2.0 ! A.385 at 7.87e+06 assign (resid 50 and name HA ) (resid 52 and name HN ) 4.5 2.2 2.0 ! A.2470 at 6.04e+06 ! N51 assign (resid 51 and name HB1 ) (resid 51 and name HN ) 2.5 0.7 0.6 ! A.898 at 1.51e+07 assign (resid 51 and name HB2 ) (resid 51 and name HN ) 3.0 0.7 0.6 ! A.899 at 1.72e+07 assign (resid 51 and name HB2 ) (resid 51 and name HD22 ) 3.5 0.7 0.7 ! A.2841 at 1.28e+07 assign (resid 51 and name HB1 ) (resid 51 and name HD22 ) 3.0 0.7 0.7 ! A.2842 at 1.77e+07 assign (resid 51 and name HA ) (resid 51 and name HD22 ) 4.0 1.2 1.0 ! A.2843 at 8.39e+06 assign (resid 51 and name HB2 ) (resid 51 and name HD21 ) 3.5 0.7 0.7 ! A.2849 at 2.28e+07 assign (resid 51 and name HB1 ) (resid 51 and name HD21 ) 3.0 0.7 0.7 ! A.2850 at 1.77e+07 assign (resid 51 and name HA ) (resid 51 and name HD21 ) 4.0 1.2 1.0 ! A.2851 at 8.39e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 0.7 0.6 ! A.2471 at 4.69e+07 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 3.5 1.2 0.7 ! A.380 at 1.49e+07 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.379 at 1.15e+07 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.891 at 1.02e+07 assign (resid 51 and name HN ) (resid 52 and name HD2# ) 4.5 2.2 2.5 ! A.904 at 2.75e+06 assign (resid 51 and name HD22 ) (resid 52 and name HD2# ) 4.5 1.2 1.5 ! A.2836 at 1.08e+07 assign (resid 51 and name HD22 ) (resid 52 and name HD1# ) 4.5 1.5 2.5 ! A.2837 at 2.03e+06 assign (resid 51 and name HD22 ) (resid 52 and name HB1 ) 4.5 1.5 2.0 ! A.2839 at 4.93e+06 assign (resid 51 and name HD22 ) (resid 52 and name HG ) 4.5 1.5 2.0 ! A.2840 at 3.85e+06 assign (resid 51 and name HD21 ) (resid 52 and name HD2# ) 4.0 1.2 1.5 ! A.2844 at 1.08e+07 assign (resid 51 and name HD21 ) (resid 52 and name HD1# ) 4.5 1.5 2.5 ! A.2845 at 2.03e+06 assign (resid 51 and name HD21 ) (resid 52 and name HB1 ) 4.5 1.5 2.0 ! A.2847 at 4.93e+06 assign (resid 51 and name HD21 ) (resid 52 and name HG ) 4.5 1.5 2.0 ! A.2848 at 3.85e+06 assign (resid 51 and name HB2 ) (resid 53 and name HN ) 4.5 2.2 2.0 ! A.1061 at 2.23e+06 assign (resid 51 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1060 at 8.11e+06 assign (resid 51 and name HA ) (resid 53 and name HN ) 4.5 2.2 2.0 ! A.2607 at 4.69e+06 assign (resid 51 and name HN ) (resid 53 and name HN ) 3.5 0.7 0.6 ! A.1019 at 4.38e+07 assign (resid 51 and name HA ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.256 at 3.82e+06 assign (resid 51 and name HN ) (resid 54 and name HB# ) 4.5 2.2 2.5 ! A.902 at 2.91e+06 assign (resid 51 and name HD22 ) (resid 54 and name HB# ) 4.5 1.5 2.5 ! A.2838 at 4.85e+06 assign (resid 51 and name HD21 ) (resid 54 and name HB# ) 4.5 1.5 2.5 ! A.2846 at 4.85e+06 assign (resid 51 and name HB2 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.260 at 2.12e+06 assign (resid 51 and name HB1 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.260 at 2.12e+06 ! L52 assign (resid 52 and name HD1# ) (resid 52 and name HN ) 2.5 0.7 1.1 ! A.386 at 1.51e+07 assign (resid 52 and name HD2# ) (resid 52 and name HN ) 2.5 0.7 1.1 ! A.388 at 1.83e+07 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.7 0.7 0.6 ! A.384 at 3.18e+07 assign (resid 52 and name HG ) (resid 52 and name HN ) 3.0 0.7 0.6 ! A.382 at 6.99e+07 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 3.0 0.7 0.6 ! A.382 at 1.99e+07 assign (resid 52 and name HN ) (resid 53 and name HN ) 2.5 0.7 0.6 ! A.2609 at 1.69e+07 assign (resid 52 and name HN ) (resid 53 and name HA ) 3.5 0.7 1.5 ! A.376 at 1.03e+07 assign (resid 52 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.263 at 7.68e+06 assign (resid 52 and name HN ) (resid 54 and name HB# ) 4.5 2.2 2.5 ! A.2469 at 3.77e+06 assign (resid 52 and name HA ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1353 at 2.16e+06 assign (resid 52 and name HN ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1348 at 3.61e+06 ! L53 assign (resid 53 and name HD1# ) (resid 53 and name HN ) 4.0 2.2 1.5 ! A.1068 at 1.01e+07 assign (resid 53 and name HG ) (resid 53 and name HN ) 2.5 0.7 0.6 ! A.2602 at 2.62e+07 assign (resid 53 and name HB1 ) (resid 53 and name HN ) 3.0 0.7 0.6 ! A.2603 at 3.30e+07 assign (resid 53 and name HD2# ) (resid 53 and name HN ) 2.5 0.7 1.1 ! A.1035 at 3.31e+07 assign (resid 53 and name HN ) (resid 54 and name HN ) 2.5 0.7 0.6 ! A.1020 at 1.74e+07 assign (resid 53 and name HD2# ) (resid 54 and name HN ) 4.0 2.2 1.5 ! A.2439 at 1.11e+07 assign (resid 53 and name HG ) (resid 54 and name HN ) 3.0 0.7 0.6 ! A.2450 at 2.14e+07 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.2451 at 1.01e+07 assign (resid 53 and name HN ) (resid 54 and name HB# ) 4.5 2.2 2.5 ! A.2601 at 5.32e+06 assign (resid 53 and name HN ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1348 at 3.61e+06 ! A54 assign (resid 54 and name HB# ) (resid 54 and name HN ) 2.5 0.7 1.1 ! A.265 at 8.22e+07 assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.6 ! A.1349 at 2.24e+07 assign (resid 54 and name HB# ) (resid 55 and name HN ) 2.5 0.7 1.1 ! A.1359 at 2.45e+07 assign (resid 54 and name HA ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.1432 at 6.95e+06 assign (resid 54 and name HB# ) (resid 57 and name HN ) 4.5 2.2 2.5 ! A.635 at 2.58e+06 assign (resid 54 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.628 at 9.74e+06 ! L55 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 2.5 0.7 0.6 ! A.1358 at 2.83e+07 assign (resid 55 and name HG ) (resid 55 and name HN ) 2.5 0.7 0.6 ! A.1356 at 8.99e+07 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.0 0.7 0.6 ! A.1356 at 8.99e+07 assign (resid 55 and name HD2# ) (resid 55 and name HN ) 2.5 0.7 1.1 ! A.1360 at 2.57e+07 assign (resid 55 and name HD1# ) (resid 55 and name HN ) 2.5 0.7 1.1 ! A.1360 at 2.57e+07 assign (resid 55 and name HN ) (resid 56 and name HN ) 3.5 1.2 0.7 ! A.3680 at 1.36e+07 assign (resid 55 and name HN ) (resid 56 and name HB2 ) 4.5 2.2 2.0 ! A.1354 at 1.75e+06 assign (resid 55 and name HN ) (resid 56 and name HA ) 4.5 2.2 2.0 ! A.1350 at 2.09e+06 assign (resid 55 and name HA ) (resid 56 and name HN ) 3.5 1.2 0.7 ! A.1432 at 1.25e+07 assign (resid 55 and name HN ) (resid 57 and name HN ) 3.0 0.7 0.6 ! A.1349 at 2.24e+07 assign (resid 55 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.628 at 9.74e+06 ! H56 assign (resid 56 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.1452 at 8.48e+06 assign (resid 56 and name HB2 ) (resid 56 and name HN ) 3.5 1.2 0.7 ! A.1453 at 1.23e+07 assign (resid 56 and name HN ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.1428 at 8.77e+06 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.631 at 1.03e+07 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.630 at 9.90e+06 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 0.7 0.6 ! A.625 at 3.62e+07 assign (resid 56 and name HN ) (resid 57 and name HA ) 4.5 2.2 2.0 ! A.1451 at 2.31e+06 assign (resid 56 and name HA ) (resid 58 and name HN ) 4.5 2.2 2.0 ! A.906 at 3.96e+06 ! L57 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 3.0 0.7 0.6 ! A.632 at 4.28e+07 assign (resid 57 and name HD2# ) (resid 57 and name HN ) 3.0 0.7 1.1 ! A.636 at 1.87e+07 assign (resid 57 and name HD1# ) (resid 57 and name HN ) 3.0 0.7 1.1 ! A.636 at 1.87e+07 assign (resid 57 and name HG ) (resid 57 and name HN ) 3.5 0.7 0.6 ! A.634 at 2.08e+07 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 3.0 0.7 0.6 ! A.634 at 3.08e+07 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.5 0.7 1.0 ! A.905 at 1.33e+07 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.0 0.7 0.6 ! A.908 at 4.83e+07 assign (resid 57 and name HD2# ) (resid 58 and name HN ) 4.5 2.2 2.5 ! A.835 at 2.53e+06 assign (resid 57 and name HB1 ) (resid 58 and name HN ) 3.5 1.2 0.7 ! A.832 at 1.35e+07 assign (resid 57 and name HG ) (resid 58 and name HN ) 3.5 0.7 1.0 ! A.912 at 1.68e+07 assign (resid 57 and name HB2 ) (resid 58 and name HN ) 3.0 0.7 0.6 ! A.912 at 1.68e+07 assign (resid 57 and name HN ) (resid 59 and name HD1 ) 4.5 2.2 2.0 ! A.629 at 1.70e+06 ! V58 assign (resid 58 and name HB ) (resid 58 and name HN ) 2.5 0.7 0.6 ! A.911 at 3.08e+07 assign (resid 58 and name HG2# ) (resid 58 and name HN ) 2.5 0.7 1.1 ! A.913 at 3.44e+07 assign (resid 58 and name HG1# ) (resid 58 and name HN ) 2.5 0.7 1.1 ! A.913 at 2.44e+07 assign (resid 58 and name HN ) (resid 59 and name HD1 ) 4.0 2.2 1.0 ! A.909 at 1.15e+07 assign (resid 58 and name HN ) (resid 59 and name HD2 ) 4.5 2.2 2.0 ! A.910 at 5.66e+06 assign (resid 58 and name HG1# ) (resid 60 and name HN ) 4.5 2.2 2.5 ! A.2464 at 6.05e+06 ! P59 assign (resid 59 and name HD1 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.341 at 4.97e+06 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.5 0.7 0.6 ! A.338 at 1.37e+08 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 3.5 1.2 0.7 ! A.344 at 1.48e+07 assign (resid 59 and name HD2 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.342 at 4.27e+06 assign (resid 59 and name HG1 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.345 at 4.52e+06 assign (resid 59 and name HB2 ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.1577 at 1.83e+06 ! R60 assign (resid 60 and name HD# ) (resid 60 and name HN ) 4.5 2.2 2.5 ! A.343 at 5.59e+06 assign (resid 60 and name HG# ) (resid 60 and name HN ) 3.0 0.7 1.1 ! A.348 at 1.94e+07 assign (resid 60 and name HB2 ) (resid 60 and name HN ) 2.7 0.7 0.6 ! A.347 at 3.53e+07 assign (resid 60 and name HB1 ) (resid 60 and name HN ) 3.0 0.7 0.6 ! A.347 at 2.53e+07 assign (resid 60 and name HN ) (resid 61 and name HN ) 4.5 2.2 2.0 ! A.1807 at 2.59e+06 assign (resid 60 and name HA ) (resid 61 and name HN ) 3.0 0.7 0.6 ! A.1809 at 2.29e+07 assign (resid 60 and name HG# ) (resid 61 and name HN ) 4.5 2.2 2.5 ! A.1812 at 2.31e+06 assign (resid 60 and name HN ) (resid 61 and name HA2 ) 4.5 2.2 2.0 ! A.340 at 1.72e+06 assign (resid 60 and name HN ) (resid 61 and name HA1 ) 4.5 2.2 2.0 ! A.340 at 1.72e+06 assign (resid 60 and name HB1 ) (resid 61 and name HN ) 4.5 2.2 2.0 ! A.1811 at 4.25e+06 assign (resid 60 and name HB2 ) (resid 61 and name HN ) 4.5 2.2 2.0 ! A.1811 at 4.25e+06 assign (resid 60 and name HA ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.3712 at 4.26e+06 ! G61 assign (resid 61 and name HA1 ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.1575 at 4.48e+06 assign (resid 61 and name HN ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.1808 at 2.60e+06 ! S62 assign (resid 62 and name HB2 ) (resid 62 and name HN ) 2.5 0.7 0.6 ! A.1576 at 1.67e+07 assign (resid 62 and name HB1 ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.3713 at 1.00e+07 assign (resid 62 and name HA ) (resid 63 and name HN ) 3.0 0.7 0.6 ! A.188 at 1.54e+07 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.192 at 2.90e+06 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.191 at 1.55e+06 assign (resid 62 and name HN ) (resid 63 and name HA ) 4.5 2.2 2.0 ! A.1574 at 2.50e+06 assign (resid 62 and name HN ) (resid 63 and name HD# ) 4.5 2.2 2.5 ! A.3714 at 2.86e+06 assign (resid 62 and name HB1 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.540 at 2.90e+06 assign (resid 62 and name HB2 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.541 at 4.40e+06 ! K63 assign (resid 63 and name HD# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.196 at 9.58e+06 assign (resid 63 and name HB# ) (resid 63 and name HN ) 4.5 2.2 2.5 ! A.194 at 5.87e+06 assign (resid 63 and name HG1 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.198 at 3.02e+06 assign (resid 63 and name HN ) (resid 64 and name HG1 ) 4.5 2.2 2.0 ! A.197 at 1.59e+06 assign (resid 63 and name HN ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.187 at 2.66e+06 ! R64 assign (resid 64 and name HD# ) (resid 64 and name HN ) 4.5 2.2 2.5 ! A.542 at 4.21e+06 assign (resid 64 and name HB2 ) (resid 64 and name HN ) 2.5 0.7 0.6 ! A.543 at 3.24e+07 assign (resid 64 and name HG# ) (resid 64 and name HN ) 3.5 1.2 1.2 ! A.2495 at 1.30e+07 assign (resid 64 and name HA ) (resid 65 and name HN ) 3.0 0.7 0.6 ! A.539 at 1.04e+07 assign (resid 64 and name HG# ) (resid 65 and name HN ) 4.0 2.2 1.5 ! A.2482 at 1.11e+07 assign (resid 64 and name HB1 ) (resid 65 and name HN ) 3.5 0.7 0.6 ! A.456 at 1.72e+07 assign (resid 64 and name HN ) (resid 65 and name HN ) 4.0 0.7 1.0 ! A.452 at 4.47e+06 assign (resid 64 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.2644 at 7.57e+06 ! I65 assign (resid 65 and name HG12 ) (resid 65 and name HN ) 3.0 0.7 0.6 ! A.459 at 2.19e+07 assign (resid 65 and name HG11 ) (resid 65 and name HN ) 3.0 0.7 0.6 ! A.458 at 2.22e+07 assign (resid 65 and name HB ) (resid 65 and name HN ) 3.0 0.7 0.6 ! A.456 at 4.72e+07 assign (resid 65 and name HD1# ) (resid 65 and name HN ) 4.0 2.2 1.5 ! A.460 at 1.02e+07 assign (resid 65 and name HG2# ) (resid 65 and name HN ) 4.0 2.2 1.5 ! A.460 at 1.02e+07 assign (resid 65 and name HN ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.451 at 1.19e+07 assign (resid 65 and name HA ) (resid 66 and name HN ) 3.0 0.7 0.6 ! A.2645 at 4.55e+07 assign (resid 65 and name HB ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.2646 at 1.05e+07 assign (resid 65 and name HG11 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.2647 at 3.79e+06 assign (resid 65 and name HG12 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.2648 at 2.92e+06 assign (resid 65 and name HG2# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.2649 at 1.05e+07 assign (resid 65 and name HN ) (resid 66 and name HA ) 4.0 1.2 1.0 ! A.453 at 1.36e+07 ! S66 assign (resid 66 and name HB1 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.603 at 2.86e+06 assign (resid 66 and name HB2 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.603 at 2.86e+06 assign (resid 66 and name HN ) (resid 67 and name HN ) 2.5 0.7 0.6 ! A.2641 at 1.77e+07 assign (resid 66 and name HB2 ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.532 at 6.11e+06 ! G67 assign (resid 67 and name HN ) (resid 68 and name HN ) 3.5 1.2 1.0 ! A.528 at 1.41e+07 assign (resid 67 and name HA# ) (resid 68 and name HN ) 2.5 0.7 1.1 ! A.2499 at 7.99e+07 ! L68 assign (resid 68 and name HB2 ) (resid 68 and name HN ) 2.5 0.7 0.6 ! A.536 at 2.54e+07 assign (resid 68 and name HB1 ) (resid 68 and name HN ) 3.0 0.7 0.6 ! A.535 at 8.03e+07 assign (resid 68 and name HD1# ) (resid 68 and name HN ) 2.5 0.7 1.1 ! A.537 at 2.84e+07 assign (resid 68 and name HD2# ) (resid 68 and name HN ) 3.0 1.0 1.1 ! A.537 at 2.84e+07 assign (resid 68 and name HG ) (resid 68 and name HN ) 3.0 0.7 0.6 ! A.535 at 8.03e+07 assign (resid 68 and name HN ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.2532 at 5.07e+06 assign (resid 68 and name HA ) (resid 69 and name HN ) 3.0 0.7 0.6 ! A.2522 at 1.72e+07 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.2527 at 1.19e+07 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 3.5 1.2 0.7 ! A.2528 at 1.49e+07 assign (resid 68 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.851 at 8.23e+06 assign (resid 68 and name HN ) (resid 72 and name HB2 ) 4.5 2.2 2.0 ! A.533 at 1.68e+06 assign (resid 68 and name HN ) (resid 72 and name HG1 ) 4.5 2.2 2.0 ! A.533 at 1.68e+06 ! I69 assign (resid 69 and name HB ) (resid 69 and name HN ) 2.5 0.7 0.6 ! A.671 at 4.08e+07 assign (resid 69 and name HG11 ) (resid 69 and name HN ) 2.5 0.7 0.6 ! A.2526 at 1.58e+07 assign (resid 69 and name HG12 ) (resid 69 and name HN ) 3.5 1.2 0.7 ! A.2529 at 1.37e+07 assign (resid 69 and name HG2# ) (resid 69 and name HN ) 3.0 0.7 1.1 ! A.678 at 2.32e+07 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2017 at 4.15e+06 assign (resid 69 and name HG12 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2021 at 2.07e+06 assign (resid 69 and name HG2# ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2792 at 1.07e+06 assign (resid 69 and name HB ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2791 at 1.47e+06 assign (resid 69 and name HN ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2531 at 4.81e+06 ! Y70 assign (resid 70 and name HB1 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2019 at 3.03e+06 assign (resid 70 and name HB2 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2020 at 3.09e+06 assign (resid 70 and name HD# ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.2792 at 1.25e+06 assign (resid 70 and name HN ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.2793 at 1.14e+06 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.1361 at 1.97e+06 assign (resid 70 and name HB2 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.969 at 1.61e+06 assign (resid 70 and name HA ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.966 at 4.85e+06 assign (resid 70 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1369 at 6.96e+06 assign (resid 70 and name HB1 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.685 at 2.40e+06 assign (resid 70 and name HB2 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.687 at 2.16e+06 assign (resid 70 and name HA ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.602 at 8.50e+06 ! E71 assign (resid 71 and name HB# ) (resid 71 and name HN ) 4.5 2.2 2.5 ! A.1363 at 5.10e+06 assign (resid 71 and name HN ) (resid 73 and name HG1# ) 4.5 2.2 2.5 ! A.1364 at 1.91e+06 assign (resid 71 and name HN ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.679 at 1.55e+06 assign (resid 71 and name HA ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.663 at 2.28e+06 assign (resid 71 and name HB# ) (resid 74 and name HN ) 4.0 1.2 1.1 ! A.500 at 1.32e+07 assign (resid 71 and name HA ) (resid 75 and name HN ) 3.5 0.7 0.6 ! A.2611 at 1.23e+07 ! E72 assign (resid 72 and name HB# ) (resid 72 and name HN ) 2.5 0.7 1.1 ! A.2583 at 4.64e+07 assign (resid 72 and name HB1 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.972 at 4.24e+06 assign (resid 72 and name HB2 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.972 at 4.24e+06 assign (resid 72 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.3673 at 9.28e+06 assign (resid 72 and name HN ) (resid 73 and name HN ) 3.5 1.2 0.7 ! A.1367 at 1.22e+07 assign (resid 72 and name HA ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.2517 at 4.59e+06 assign (resid 72 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.682 at 8.55e+06 assign (resid 72 and name HB1 ) (resid 74 and name HN ) 4.0 1.2 1.0 ! A.689 at 1.52e+07 assign (resid 72 and name HB2 ) (resid 74 and name HN ) 3.5 0.7 1.0 ! A.689 at 1.52e+07 assign (resid 72 and name HA ) (resid 75 and name HN ) 3.5 0.7 0.6 ! A.965 at 1.23e+07 assign (resid 72 and name HB2 ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.989 at 4.51e+06 assign (resid 72 and name HB1 ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.989 at 4.51e+06 ! V73 assign (resid 73 and name HG1# ) (resid 73 and name HN ) 2.5 0.7 1.1 ! A.1381 at 4.16e+07 assign (resid 73 and name HB ) (resid 73 and name HN ) 3.0 0.7 0.6 ! A.1376 at 3.38e+07 assign (resid 73 and name HG2# ) (resid 73 and name HN ) 3.0 0.7 1.1 ! A.1382 at 1.89e+07 assign (resid 73 and name HA ) (resid 74 and name HN ) 3.0 0.7 0.6 ! A.683 at 1.72e+07 assign (resid 73 and name HG1# ) (resid 74 and name HN ) 3.0 0.7 1.1 ! A.693 at 2.33e+07 assign (resid 73 and name HN ) (resid 74 and name HA ) 4.5 2.2 2.0 ! A.1371 at 3.10e+06 assign (resid 73 and name HN ) (resid 74 and name HB1 ) 4.5 2.2 2.0 ! A.1378 at 3.95e+06 assign (resid 73 and name HN ) (resid 74 and name HB2 ) 4.5 2.2 2.0 ! A.1380 at 2.33e+06 assign (resid 73 and name HN ) (resid 74 and name HN ) 2.5 0.7 0.6 ! A.1365 at 2.30e+07 assign (resid 73 and name HG2# ) (resid 74 and name HN ) 2.5 0.7 1.1 ! A.606 at 2.09e+07 assign (resid 73 and name HB ) (resid 74 and name HN ) 3.5 0.7 0.6 ! A.689 at 1.52e+07 assign (resid 73 and name HG2# ) (resid 75 and name HN ) 4.5 2.2 2.5 ! A.2613 at 6.35e+06 assign (resid 73 and name HG1# ) (resid 75 and name HN ) 4.5 2.2 2.5 ! A.975 at 4.03e+06 assign (resid 73 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.967 at 8.69e+06 assign (resid 73 and name HN ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.1367 at 5.22e+06 assign (resid 73 and name HN ) (resid 76 and name HB ) 4.0 2.2 1.0 ! A.1375 at 1.09e+07 assign (resid 73 and name HN ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.1366 at 1.08e+07 assign (resid 73 and name HB ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.1483 at 6.87e+06 assign (resid 73 and name HG1# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.1512 at 9.23e+06 assign (resid 73 and name HA ) (resid 76 and name HN ) 3.0 0.7 0.6 ! A.1500 at 1.67e+07 assign (resid 73 and name HG2# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.3689 at 1.01e+07 assign (resid 73 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.495 at 8.03e+06 assign (resid 73 and name HG2# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.2492 at 7.64e+06 assign (resid 73 and name HG1# ) (resid 77 and name HN ) 4.5 2.2 2.5 ! A.2493 at 1.58e+06 ! R74 assign (resid 74 and name HB1 ) (resid 74 and name HN ) 3.0 0.7 0.6 ! A.690 at 4.33e+07 assign (resid 74 and name HG# ) (resid 74 and name HN ) 3.0 0.7 1.1 ! A.691 at 2.55e+07 assign (resid 74 and name HB2 ) (resid 74 and name HN ) 3.0 0.7 0.6 ! A.692 at 3.68e+07 assign (resid 74 and name HD1 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.686 at 9.39e+06 assign (resid 74 and name HD2 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.686 at 9.39e+06 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.5 0.7 0.6 ! A.960 at 2.86e+07 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.5 1.2 0.7 ! A.992 at 1.47e+07 assign (resid 74 and name HA ) (resid 75 and name HN ) 3.5 1.2 0.7 ! A.987 at 1.23e+07 assign (resid 74 and name HG# ) (resid 75 and name HN ) 3.0 0.7 1.1 ! A.991 at 1.86e+07 assign (resid 74 and name HN ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.674 at 1.13e+07 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 2.5 0.7 0.6 ! A.973 at 3.30e+07 assign (resid 74 and name HD2 ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.968 at 5.82e+06 assign (resid 74 and name HD1 ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.968 at 5.82e+06 assign (resid 74 and name HN ) (resid 76 and name HB ) 4.5 2.2 2.0 ! A.688 at 2.06e+06 assign (resid 74 and name HA ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.1501 at 5.42e+06 assign (resid 74 and name HG# ) (resid 76 and name HN ) 4.0 1.2 1.2 ! A.1508 at 1.77e+07 assign (resid 74 and name HB2 ) (resid 76 and name HN ) 4.0 1.2 1.2 ! A.1509 at 1.24e+07 assign (resid 74 and name HN ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.1494 at 8.17e+06 assign (resid 74 and name HA ) (resid 77 and name HN ) 3.5 1.2 0.7 ! A.496 at 1.23e+07 assign (resid 74 and name HN ) (resid 77 and name HN ) 3.5 0.7 0.6 ! A.681 at 9.93e+06 assign (resid 74 and name HB2 ) (resid 77 and name HN ) 4.5 2.2 2.0 ! A.505 at 1.98e+06 assign (resid 74 and name HG# ) (resid 77 and name HN ) 4.5 2.2 2.5 ! A.505 at 1.98e+06 assign (resid 74 and name HN ) (resid 77 and name HG ) 4.0 1.0 1.0 ! A.500 at 1.02e+07 assign (resid 74 and name HA ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.647 at 6.17e+06 assign (resid 74 and name HB2 ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.655 at 2.39e+06 ! A75 assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 1.1 ! A.990 at 1.19e+08 assign (resid 75 and name HN ) (resid 76 and name HG2# ) 4.5 2.2 2.5 ! A.993 at 1.69e+06 assign (resid 75 and name HN ) (resid 76 and name HB ) 4.5 2.2 2.0 ! A.988 at 4.91e+06 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.5 0.7 0.6 ! A.1473 at 2.41e+07 assign (resid 75 and name HB# ) (resid 76 and name HN ) 2.5 0.7 1.1 ! A.1507 at 4.69e+07 assign (resid 75 and name HB# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.504 at 8.34e+06 assign (resid 75 and name HN ) (resid 77 and name HN ) 4.5 2.2 2.0 ! A.2491 at 5.56e+06 assign (resid 75 and name HN ) (resid 77 and name HB2 ) 4.0 2.2 1.0 ! A.2612 at 7.23e+06 assign (resid 75 and name HA ) (resid 77 and name HN ) 3.5 0.7 0.6 ! A.493 at 1.82e+07 assign (resid 75 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.985 at 2.32e+06 assign (resid 75 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.644 at 1.02e+07 assign (resid 75 and name HB# ) (resid 79 and name HN ) 4.5 2.2 2.5 ! A.1794 at 3.89e+06 ! V76 assign (resid 76 and name HG1# ) (resid 76 and name HN ) 2.5 0.7 1.1 ! A.1510 at 6.76e+07 assign (resid 76 and name HG2# ) (resid 76 and name HN ) 2.5 0.7 1.1 ! A.3688 at 2.76e+07 assign (resid 76 and name HB ) (resid 76 and name HN ) 2.5 0.7 0.6 ! A.1503 at 6.31e+07 assign (resid 76 and name HB ) (resid 77 and name HN ) 3.0 0.7 0.6 ! A.498 at 3.11e+07 assign (resid 76 and name HN ) (resid 77 and name HB2 ) 4.5 2.2 2.0 ! A.1506 at 4.08e+06 assign (resid 76 and name HN ) (resid 77 and name HA ) 4.5 2.2 2.0 ! A.1496 at 4.01e+06 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.0 0.7 0.6 ! A.493 at 1.82e+07 assign (resid 76 and name HN ) (resid 77 and name HN ) 2.5 0.7 0.6 ! A.1494 at 3.17e+07 assign (resid 76 and name HN ) (resid 77 and name HG ) 3.5 1.2 0.7 ! A.1505 at 1.26e+07 assign (resid 76 and name HB ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.649 at 2.66e+06 assign (resid 76 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1493 at 5.57e+06 assign (resid 76 and name HN ) (resid 78 and name HB1 ) 4.5 2.2 2.0 ! A.1504 at 3.29e+06 assign (resid 76 and name HA ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.644 at 5.42e+06 assign (resid 76 and name HN ) (resid 79 and name HN ) 4.5 2.2 2.0 ! A.1781 at 3.71e+06 assign (resid 76 and name HN ) (resid 79 and name HB1 ) 4.0 2.2 1.0 ! A.1499 at 8.85e+06 assign (resid 76 and name HG1# ) (resid 79 and name HN ) 4.5 2.2 2.5 ! A.1796 at 5.64e+06 assign (resid 76 and name HB ) (resid 79 and name HN ) 4.5 2.2 2.0 ! A.1790 at 3.73e+06 assign (resid 76 and name HN ) (resid 80 and name HN ) 4.5 2.2 1.5 ! A.2409 at 7.42e+06 assign (resid 76 and name HG1# ) (resid 80 and name HN ) 4.0 2.2 1.5 ! A.99 at 8.32e+06 ! L77 assign (resid 77 and name HB2 ) (resid 77 and name HN ) 2.5 0.7 0.6 ! A.503 at 3.71e+07 assign (resid 77 and name HD1# ) (resid 77 and name HN ) 3.5 0.7 1.1 ! A.507 at 3.56e+07 assign (resid 77 and name HD2# ) (resid 77 and name HN ) 3.0 0.7 1.1 ! A.507 at 3.56e+07 assign (resid 77 and name HG ) (resid 77 and name HN ) 2.5 0.7 0.6 ! A.502 at 6.31e+07 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 3.5 1.2 0.7 ! A.502 at 1.31e+07 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.5 0.7 0.6 ! A.638 at 3.21e+07 assign (resid 77 and name HN ) (resid 78 and name HA ) 4.5 2.2 2.0 ! A.494 at 5.00e+06 assign (resid 77 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.642 at 9.50e+06 assign (resid 77 and name HN ) (resid 78 and name HB1 ) 3.5 0.7 0.6 ! A.500 at 1.92e+07 assign (resid 77 and name HD1# ) (resid 78 and name HN ) 4.0 2.2 1.5 ! A.656 at 1.06e+07 assign (resid 77 and name HN ) (resid 79 and name HN ) 4.5 2.2 2.0 ! A.1780 at 5.34e+06 assign (resid 77 and name HB2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.1793 at 7.49e+06 assign (resid 77 and name HA ) (resid 80 and name HN ) 2.5 0.7 0.6 ! A.87 at 1.91e+07 assign (resid 77 and name HB2 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.97 at 3.40e+06 assign (resid 77 and name HN ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.83 at 3.10e+06 assign (resid 77 and name HN ) (resid 80 and name HB1 ) 4.5 2.2 2.0 ! A.497 at 3.20e+06 assign (resid 77 and name HB2 ) (resid 81 and name HN ) 4.0 2.2 1.2 ! A.1012 at 7.85e+06 assign (resid 77 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.999 at 9.97e+06 assign (resid 77 and name HD2# ) (resid 81 and name HN ) 4.0 1.2 1.2 ! A.1016 at 1.30e+07 ! K78 assign (resid 78 and name HD# ) (resid 78 and name HN ) 3.5 0.7 1.1 ! A.652 at 2.29e+07 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 2.5 0.7 0.6 ! A.650 at 7.10e+07 assign (resid 78 and name HB1 ) (resid 78 and name HN ) 2.5 0.7 0.6 ! A.650 at 3.10e+07 assign (resid 78 and name HG1 ) (resid 78 and name HN ) 3.5 0.7 0.6 ! A.654 at 1.57e+07 assign (resid 78 and name HG2 ) (resid 78 and name HN ) 3.5 0.7 0.6 ! A.654 at 1.57e+07 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.5 0.7 0.6 ! A.1779 at 2.88e+07 assign (resid 78 and name HN ) (resid 79 and name HA ) 4.5 2.2 2.0 ! A.643 at 2.47e+06 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.5 1.2 0.7 ! A.1788 at 1.38e+07 assign (resid 78 and name HN ) (resid 79 and name HB1 ) 4.5 2.2 2.0 ! A.645 at 5.35e+06 assign (resid 78 and name HN ) (resid 79 and name HB2 ) 4.5 2.2 2.0 ! A.645 at 5.35e+06 assign (resid 78 and name HG1 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.1795 at 1.06e+07 assign (resid 78 and name HG2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.1795 at 1.06e+07 assign (resid 78 and name HD# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! A.1793 at 7.49e+06 assign (resid 78 and name HB2 ) (resid 79 and name HN ) 3.5 0.7 0.6 ! A.1792 at 3.27e+07 assign (resid 78 and name HB1 ) (resid 79 and name HN ) 3.0 0.7 0.6 ! A.1792 at 3.27e+07 assign (resid 78 and name HG2 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.98 at 1.85e+06 assign (resid 78 and name HN ) (resid 80 and name HB1 ) 4.5 2.2 2.0 ! A.648 at 2.35e+06 assign (resid 78 and name HB1 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.95 at 6.10e+06 assign (resid 78 and name HA ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.91 at 5.11e+06 assign (resid 78 and name HN ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.641 at 5.08e+06 assign (resid 78 and name HN ) (resid 81 and name HN ) 3.5 1.2 1.0 ! A.995 at 1.29e+07 assign (resid 78 and name HN ) (resid 81 and name HD1# ) 4.0 2.2 1.5 ! A.657 at 7.94e+06 assign (resid 78 and name HN ) (resid 81 and name HB2 ) 4.5 2.2 2.0 ! A.655 at 2.39e+06 assign (resid 78 and name HA ) (resid 81 and name HN ) 3.5 1.2 0.7 ! A.1002 at 1.46e+07 assign (resid 78 and name HG1 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1014 at 3.27e+06 assign (resid 78 and name HG2 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1014 at 3.27e+06 assign (resid 78 and name HG1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1221 at 4.74e+06 assign (resid 78 and name HG2 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1221 at 4.74e+06 assign (resid 78 and name HA ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1211 at 1.17e+07 assign (resid 78 and name HG2 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.1760 at 1.82e+06 ! S79 assign (resid 79 and name HB1 ) (resid 79 and name HN ) 2.5 0.7 0.6 ! A.1787 at 9.94e+07 assign (resid 79 and name HB2 ) (resid 79 and name HN ) 2.5 0.7 0.6 ! A.1787 at 9.94e+07 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.5 0.7 0.6 ! A.1782 at 3.04e+07 assign (resid 79 and name HB2 ) (resid 80 and name HN ) 3.5 0.7 0.6 ! A.90 at 3.57e+07 assign (resid 79 and name HB1 ) (resid 80 and name HN ) 2.5 0.7 0.6 ! A.90 at 3.57e+07 assign (resid 79 and name HN ) (resid 80 and name HB2 ) 4.0 2.2 1.5 ! A.1789 at 7.96e+06 assign (resid 79 and name HN ) (resid 80 and name HB1 ) 4.0 2.2 1.0 ! A.1789 at 7.96e+06 assign (resid 79 and name HB2 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1001 at 5.16e+06 assign (resid 79 and name HN ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.996 at 5.60e+06 assign (resid 79 and name HB1 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.2615 at 4.12e+06 assign (resid 79 and name HN ) (resid 81 and name HD1# ) 4.5 2.2 2.5 ! A.2734 at 3.37e+06 assign (resid 79 and name HB1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1210 at 5.53e+06 assign (resid 79 and name HN ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1778 at 4.25e+06 assign (resid 79 and name HA ) (resid 82 and name HN ) 3.5 1.2 0.7 ! A.3652 at 1.46e+07 assign (resid 79 and name HN ) (resid 82 and name HB2 ) 4.5 2.2 2.0 ! A.1791 at 2.04e+06 assign (resid 79 and name HB2 ) (resid 83 and name HN ) 4.0 1.2 1.5 ! A.1748 at 1.22e+07 assign (resid 79 and name HA ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1746 at 7.94e+06 assign (resid 79 and name HA ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.468 at 4.11e+06 ! F80 assign (resid 80 and name HE# ) (resid 80 and name HN ) 4.5 2.2 2.5 ! A.2406 at 3.23e+06 assign (resid 80 and name HD# ) (resid 80 and name HN ) 3.0 0.7 1.1 ! A.2407 at 1.99e+07 !assign (resid 80 and name HZ ) (resid 80 and name HN ) 4.5 2.2 2.5 ! A.2408 at 7.67e+06 assign (resid 80 and name HB1 ) (resid 80 and name HN ) 2.5 0.7 0.6 ! A.93 at 9.14e+07 assign (resid 80 and name HB2 ) (resid 80 and name HN ) 2.5 0.7 0.6 ! A.93 at 9.14e+07 assign (resid 80 and name HN ) (resid 81 and name HD1# ) 4.5 2.2 2.5 ! A.100 at 5.56e+06 assign (resid 80 and name HN ) (resid 81 and name HA ) 4.5 2.2 2.0 ! A.92 at 3.66e+06 assign (resid 80 and name HE# ) (resid 81 and name HN ) 4.5 2.2 2.5 ! A.2617 at 5.48e+06 assign (resid 80 and name HD# ) (resid 81 and name HN ) 2.5 0.7 1.1 ! A.2618 at 2.51e+07 assign (resid 80 and name HZ ) (resid 81 and name HN ) 4.5 1.2 1.5 ! A.2619 at 6.13e+06 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.5 0.7 0.6 ! A.997 at 2.93e+07 assign (resid 80 and name HN ) (resid 81 and name HG ) 4.0 2.2 1.0 ! A.96 at 8.29e+06 assign (resid 80 and name HA ) (resid 81 and name HN ) 3.5 1.2 0.7 ! A.1000 at 1.29e+07 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 3.0 0.7 0.6 ! A.1005 at 2.18e+07 assign (resid 80 and name HB2 ) (resid 81 and name HN ) 3.5 0.7 0.6 ! A.1005 at 1.18e+07 assign (resid 80 and name HN ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1205 at 6.74e+06 assign (resid 80 and name HB1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1214 at 3.99e+06 assign (resid 80 and name HD2 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.3651 at 3.43e+06 assign (resid 80 and name HN ) (resid 82 and name HG2 ) 4.5 2.2 2.0 ! A.94 at 2.87e+06 assign (resid 80 and name HA ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1208 at 4.42e+06 assign (resid 80 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1745 at 1.10e+07 assign (resid 80 and name HB1 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.1753 at 3.77e+06 assign (resid 80 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.7 ! A.1746 at 1.44e+07 assign (resid 80 and name HN ) (resid 84 and name HN ) 4.0 1.2 1.5 ! A.466 at 1.04e+07 assign (resid 80 and name HA ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.468 at 4.11e+06 assign (resid 80 and name HB1 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.474 at 3.03e+06 assign (resid 80 and name HB2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.474 at 3.03e+06 assign (resid 80 and name HB# ) (resid 112 and name HE21 ) 4.5 1.5 2.5 ! A.2801 at 5.09e+06 assign (resid 80 and name HD# ) (resid 112 and name HE21 ) 4.5 1.5 2.5 ! A.2807 at 2.15e+06 assign (resid 80 and name HE# ) (resid 112 and name HE21 ) 4.5 1.5 2.5 ! A.2808 at 2.93e+06 assign (resid 80 and name HB# ) (resid 112 and name HE22 ) 4.5 1.5 2.5 ! A.2816 at 5.09e+06 assign (resid 80 and name HD# ) (resid 112 and name HE22 ) 4.5 1.5 2.5 ! A.2822 at 2.15e+06 assign (resid 80 and name HE# ) (resid 112 and name HE22 ) 4.5 1.5 2.5 ! A.2823 at 2.93e+06 ! L81 assign (resid 81 and name HG ) (resid 81 and name HN ) 2.5 0.7 0.6 ! A.1011 at 4.38e+07 assign (resid 81 and name HB2 ) (resid 81 and name HN ) 2.5 0.7 0.6 ! A.1015 at 2.42e+07 assign (resid 81 and name HB1 ) (resid 81 and name HN ) 3.0 0.7 0.6 ! A.1009 at 4.39e+07 assign (resid 81 and name HD1# ) (resid 81 and name HN ) 2.5 0.7 1.1 ! A.1017 at 3.58e+07 assign (resid 81 and name HD2# ) (resid 81 and name HN ) 3.0 0.7 1.1 ! A.1017 at 3.58e+07 assign (resid 81 and name HN ) (resid 82 and name HA ) 4.5 2.2 2.0 ! A.1003 at 5.09e+06 assign (resid 81 and name HN ) (resid 82 and name HG1 ) 4.5 2.2 2.0 ! A.1006 at 3.24e+06 assign (resid 81 and name HN ) (resid 82 and name HN ) 2.5 0.7 0.6 ! A.1203 at 2.72e+07 assign (resid 81 and name HN ) (resid 82 and name HG2 ) 4.5 2.2 2.0 ! A.1007 at 4.69e+06 assign (resid 81 and name HA ) (resid 82 and name HN ) 3.5 1.2 0.7 ! A.1213 at 1.50e+07 assign (resid 81 and name HB2 ) (resid 82 and name HN ) 3.5 1.2 0.7 ! A.1222 at 1.47e+07 assign (resid 81 and name HG ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1218 at 1.17e+07 assign (resid 81 and name HD1# ) (resid 82 and name HN ) 3.5 1.2 1.2 ! A.1223 at 1.41e+07 assign (resid 81 and name HN ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.1743 at 5.12e+06 assign (resid 81 and name HB2 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.1761 at 2.41e+06 assign (resid 81 and name HA ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1752 at 8.66e+06 assign (resid 81 and name HD2# ) (resid 83 and name HN ) 4.5 2.2 2.5 ! A.2733 at 4.02e+06 assign (resid 81 and name HN ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.463 at 1.82e+06 assign (resid 81 and name HB2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.483 at 1.98e+06 assign (resid 81 and name HN ) (resid 84 and name HB ) 4.5 2.2 2.0 ! A.1013 at 4.78e+06 assign (resid 81 and name HN ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.1018 at 6.29e+06 assign (resid 81 and name HN ) (resid 84 and name HG1# ) 4.5 2.2 2.5 ! A.2616 at 2.92e+06 assign (resid 81 and name HA ) (resid 84 and name HN ) 3.0 0.7 0.6 ! A.473 at 1.90e+07 assign (resid 81 and name HB1 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.477 at 3.90e+06 assign (resid 81 and name HG ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.479 at 3.61e+06 assign (resid 81 and name HB1 ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.144 at 3.53e+06 ! E82 assign (resid 82 and name HG1 ) (resid 82 and name HN ) 2.5 0.7 0.6 ! A.1215 at 3.74e+07 assign (resid 82 and name HB2 ) (resid 82 and name HN ) 2.5 0.7 0.6 ! A.1217 at 5.20e+07 assign (resid 82 and name HB1 ) (resid 82 and name HN ) 3.5 1.2 0.7 ! A.1216 at 1.27e+07 assign (resid 82 and name HG2 ) (resid 82 and name HN ) 3.0 0.7 0.6 ! A.1216 at 3.27e+07 assign (resid 82 and name HN ) (resid 83 and name HA ) 4.5 2.2 2.0 ! A.1209 at 4.73e+06 assign (resid 82 and name HN ) (resid 83 and name HN ) 2.5 0.7 0.6 ! A.1742 at 4.14e+07 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.0 0.7 0.6 ! A.1750 at 1.92e+07 assign (resid 82 and name HG1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1754 at 8.22e+06 assign (resid 82 and name HB2 ) (resid 83 and name HN ) 3.5 1.0 0.6 ! A.1756 at 1.13e+07 assign (resid 82 and name HB1 ) (resid 83 and name HN ) 2.5 0.7 0.6 ! A.1755 at 2.44e+07 assign (resid 82 and name HG2 ) (resid 83 and name HN ) 3.5 1.2 0.7 ! A.1755 at 1.44e+07 assign (resid 82 and name HN ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.1206 at 5.16e+06 assign (resid 82 and name HA ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.2487 at 4.56e+06 assign (resid 82 and name HN ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.3653 at 3.46e+06 assign (resid 82 and name HB1 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.476 at 2.43e+06 assign (resid 82 and name HG2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.476 at 2.43e+06 assign (resid 82 and name HB2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.477 at 3.90e+06 assign (resid 82 and name HN ) (resid 84 and name HB ) 4.5 2.2 2.0 ! A.1220 at 4.41e+06 assign (resid 82 and name HN ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.1202 at 4.08e+06 assign (resid 82 and name HN ) (resid 85 and name HD1# ) 4.5 2.2 2.5 ! A.1224 at 5.97e+06 assign (resid 82 and name HN ) (resid 85 and name HG11 ) 4.0 2.2 1.0 ! A.3654 at 7.42e+06 assign (resid 82 and name HA ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.140 at 7.97e+06 assign (resid 82 and name HB1 ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.807 at 1.65e+06 ! S83 assign (resid 83 and name HB1 ) (resid 83 and name HN ) 2.7 0.7 0.6 ! A.1749 at 1.43e+08 assign (resid 83 and name HB2 ) (resid 83 and name HN ) 2.5 0.7 0.6 ! A.1749 at 1.43e+08 assign (resid 83 and name HN ) (resid 84 and name HN ) 2.5 0.7 0.6 ! A.1745 at 4.40e+07 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.5 1.2 0.7 ! A.469 at 1.25e+07 !assign (resid 83 and name HB# ) (resid 84 and name HN ) 2.5 0.7 0.6 ! A.2489 at 3.13e+07 assign (resid 83 and name HN ) (resid 84 and name HA ) 4.0 2.2 1.0 ! A.1751 at 7.52e+06 assign (resid 83 and name HN ) (resid 84 and name HG1# ) 4.5 2.2 2.5 ! A.1762 at 5.30e+06 assign (resid 83 and name HN ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.2733 at 5.95e+06 assign (resid 83 and name HB1 ) (resid 84 and name HN ) 2.5 0.7 0.6 ! A.470 at 2.75e+07 assign (resid 83 and name HB2 ) (resid 84 and name HN ) 3.5 0.7 0.6 ! A.470 at 1.45e+07 assign (resid 83 and name HN ) (resid 84 and name HB ) 4.0 2.2 1.0 ! A.1759 at 8.71e+06 assign (resid 83 and name HN ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.1741 at 6.65e+06 assign (resid 83 and name HA ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.138 at 3.98e+06 assign (resid 83 and name HN ) (resid 85 and name HB ) 4.5 2.2 2.0 ! A.1758 at 6.45e+06 assign (resid 83 and name HB2 ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.139 at 2.98e+06 assign (resid 83 and name HN ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.1744 at 5.08e+06 assign (resid 83 and name HA ) (resid 86 and name HN ) 2.5 0.7 0.6 ! A.2552 at 1.72e+07 assign (resid 83 and name HB# ) (resid 86 and name HN ) 3.5 1.2 1.2 ! A.2553 at 1.23e+07 assign (resid 83 and name HN ) (resid 86 and name HB2 ) 4.0 2.2 1.0 ! A.1757 at 6.88e+06 assign (resid 83 and name HB1 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.1151 at 5.57e+06 assign (resid 83 and name HB2 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.1151 at 5.57e+06 assign (resid 83 and name HA ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.1150 at 8.81e+06 ! V84 assign (resid 84 and name HB ) (resid 84 and name HN ) 2.5 0.7 0.6 ! A.482 at 5.99e+07 assign (resid 84 and name HG2# ) (resid 84 and name HN ) 3.0 0.7 1.1 ! A.485 at 2.06e+07 assign (resid 84 and name HG1# ) (resid 84 and name HN ) 2.5 0.7 1.1 ! A.486 at 7.20e+07 assign (resid 84 and name HG1# ) (resid 85 and name HN ) 4.0 2.2 1.5 ! A.152 at 9.78e+06 assign (resid 84 and name HA ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.141 at 9.51e+06 assign (resid 84 and name HN ) (resid 85 and name HN ) 2.5 0.7 0.6 ! A.136 at 2.38e+07 assign (resid 84 and name HN ) (resid 85 and name HG12 ) 4.0 2.2 1.5 ! A.2484 at 8.11e+06 assign (resid 84 and name HN ) (resid 85 and name HB ) 4.0 2.2 1.0 ! A.480 at 1.19e+07 assign (resid 84 and name HN ) (resid 86 and name HB1 ) 4.5 2.2 2.0 ! A.2486 at 3.94e+06 assign (resid 84 and name HN ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.2488 at 4.16e+06 assign (resid 84 and name HN ) (resid 86 and name HB2 ) 4.5 2.2 2.0 ! A.479 at 3.61e+06 assign (resid 84 and name HA ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.802 at 5.10e+06 assign (resid 84 and name HB ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.714 at 5.57e+06 assign (resid 84 and name HN ) (resid 87 and name HB2 ) 4.5 2.2 2.0 ! A.475 at 2.08e+06 assign (resid 84 and name HA ) (resid 87 and name HN ) 3.5 1.2 0.7 ! A.1153 at 1.29e+07 assign (resid 84 and name HG1# ) (resid 87 and name HN ) 4.5 2.2 2.5 ! A.1163 at 2.63e+06 assign (resid 84 and name HN ) (resid 87 and name HN ) 3.5 1.2 1.0 ! A.466 at 8.84e+06 assign (resid 84 and name HG1# ) (resid 88 and name HN ) 4.5 2.2 2.5 ! A.1055 at 2.69e+06 assign (resid 84 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.1044 at 8.46e+06 assign (resid 84 and name HB ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.901 at 4.27e+06 assign (resid 84 and name HG2# ) (resid 108 and name HN ) 4.5 2.2 2.5 ! A.2401 at 5.82e+06 assign (resid 84 and name HA ) (resid 108 and name HN ) 4.5 2.2 2.5 ! A.44 at 2.83e+06 assign (resid 84 and name HG1# ) (resid 109 and name HN ) 4.5 2.2 1.5 ! A.890 at 1.08e+07 assign (resid 84 and name HG2# ) (resid 109 and name HN ) 4.5 2.2 2.5 ! A.2571 at 3.24e+06 assign (resid 84 and name HG2# ) (resid 112 and name HE21 ) 3.0 0.7 1.2 ! A.2794 at 1.55e+07 assign (resid 84 and name HG1# ) (resid 112 and name HE21 ) 4.5 1.5 2.5 ! A.2795 at 2.93e+06 assign (resid 84 and name HA ) (resid 112 and name HE21 ) 4.0 1.2 1.0 ! A.2802 at 1.09e+07 assign (resid 84 and name HG2# ) (resid 112 and name HE22 ) 3.0 0.7 1.2 ! A.2809 at 1.55e+07 assign (resid 84 and name HG1# ) (resid 112 and name HE22 ) 4.5 1.5 2.5 ! A.2810 at 2.93e+06 assign (resid 84 and name HA ) (resid 112 and name HE22 ) 4.5 1.2 1.5 ! A.2817 at 1.09e+07 ! I85 assign (resid 85 and name HG11 ) (resid 85 and name HN ) 2.5 0.7 0.6 ! A.147 at 2.50e+07 assign (resid 85 and name HD1# ) (resid 85 and name HN ) 2.5 0.7 1.1 ! A.150 at 2.59e+07 assign (resid 85 and name HB ) (resid 85 and name HN ) 2.5 0.7 0.6 ! A.146 at 5.34e+07 assign (resid 85 and name HG12 ) (resid 85 and name HN ) 2.5 0.7 0.6 ! A.149 at 1.56e+07 assign (resid 85 and name HG2# ) (resid 85 and name HN ) 4.0 2.2 1.5 ! A.151 at 1.13e+07 assign (resid 85 and name HN ) (resid 86 and name HN ) 2.5 0.7 0.6 ! A.796 at 1.89e+07 assign (resid 85 and name HN ) (resid 86 and name HB2 ) 4.5 2.2 2.0 ! A.145 at 3.30e+06 assign (resid 85 and name HG2# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.815 at 9.29e+06 assign (resid 85 and name HD1# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.814 at 7.16e+06 assign (resid 85 and name HG12 ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.2556 at 4.88e+06 assign (resid 85 and name HN ) (resid 86 and name HB1 ) 4.5 2.2 2.0 ! A.144 at 3.53e+06 assign (resid 85 and name HA ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.803 at 8.42e+06 assign (resid 85 and name HG2# ) (resid 87 and name HN ) 4.5 2.2 2.5 ! A.1162 at 1.77e+06 assign (resid 85 and name HN ) (resid 87 and name HN ) 3.0 0.7 0.6 ! A.136 at 2.38e+07 assign (resid 85 and name HB ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.1161 at 7.75e+06 assign (resid 85 and name HA ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.1154 at 5.06e+06 assign (resid 85 and name HN ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.134 at 1.87e+06 assign (resid 85 and name HD1# ) (resid 88 and name HN ) 4.5 2.2 2.5 ! A.1054 at 3.74e+06 assign (resid 85 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.2624 at 1.04e+07 assign (resid 85 and name HG12 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.2627 at 4.11e+06 assign (resid 85 and name HG2# ) (resid 88 and name HN ) 3.5 1.2 1.2 ! A.2628 at 1.21e+07 assign (resid 85 and name HB ) (resid 88 and name HN ) 4.0 0.7 1.0 ! A.900 at 1.40e+07 assign (resid 85 and name HG12 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.407 at 5.52e+06 assign (resid 85 and name HG2# ) (resid 89 and name HN ) 4.5 2.2 2.5 ! A.412 at 4.09e+06 ! R86 assign (resid 86 and name HB2 ) (resid 86 and name HN ) 2.5 0.7 0.6 ! A.811 at 3.55e+07 assign (resid 86 and name HB1 ) (resid 86 and name HN ) 3.0 0.7 0.6 ! A.810 at 3.19e+07 assign (resid 86 and name HG1 ) (resid 86 and name HN ) 3.5 1.2 0.7 ! A.812 at 1.45e+07 assign (resid 86 and name HD# ) (resid 86 and name HN ) 4.5 2.2 2.5 ! A.2554 at 5.33e+06 assign (resid 86 and name HG2 ) (resid 86 and name HN ) 2.5 0.7 0.6 ! A.2555 at 3.97e+07 assign (resid 86 and name HD1 ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.804 at 6.45e+06 assign (resid 86 and name HD2 ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.804 at 6.45e+06 assign (resid 86 and name HN ) (resid 87 and name HB1 ) 4.5 2.2 2.0 ! A.805 at 2.90e+06 assign (resid 86 and name HN ) (resid 87 and name HA ) 4.5 2.2 2.0 ! A.800 at 2.32e+06 assign (resid 86 and name HN ) (resid 87 and name HB2 ) 4.5 2.2 2.0 ! A.806 at 3.36e+06 assign (resid 86 and name HN ) (resid 87 and name HN ) 2.5 0.7 0.6 ! A.1106 at 2.04e+07 assign (resid 86 and name HB2 ) (resid 87 and name HN ) 2.5 0.7 0.6 ! A.1160 at 3.02e+07 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 3.5 1.2 0.7 ! A.1159 at 1.39e+07 assign (resid 86 and name HA ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.1152 at 1.09e+07 assign (resid 86 and name HG1 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.2636 at 6.17e+06 assign (resid 86 and name HD2 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.1155 at 3.13e+06 assign (resid 86 and name HD1 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.1155 at 3.13e+06 assign (resid 86 and name HG2 ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.1161 at 9.75e+06 assign (resid 86 and name HN ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.797 at 4.93e+06 assign (resid 86 and name HA ) (resid 88 and name HN ) 3.5 0.7 0.6 ! A.2623 at 1.03e+07 assign (resid 86 and name HB2 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.1052 at 4.24e+06 assign (resid 86 and name HG2 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.408 at 5.75e+06 assign (resid 86 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.398 at 8.22e+06 assign (resid 86 and name HN ) (resid 89 and name HB ) 4.5 2.2 2.0 ! A.808 at 3.65e+06 assign (resid 86 and name HG2 ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.1468 at 4.28e+06 assign (resid 86 and name HA ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.1461 at 5.79e+06 assign (resid 86 and name HB1 ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.1467 at 4.35e+06 ! D87 assign (resid 87 and name HB2 ) (resid 87 and name HN ) 2.5 0.7 0.6 ! A.1157 at 2.83e+07 assign (resid 87 and name HB1 ) (resid 87 and name HN ) 2.7 0.7 0.6 ! A.1156 at 4.17e+07 assign (resid 87 and name HA ) (resid 88 and name HN ) 2.5 0.7 0.6 ! A.1042 at 1.57e+07 assign (resid 87 and name HB1 ) (resid 88 and name HN ) 3.0 0.7 0.6 ! A.1049 at 2.47e+07 assign (resid 87 and name HB2 ) (resid 88 and name HN ) 3.0 0.7 0.6 ! A.1050 at 1.64e+07 assign (resid 87 and name HN ) (resid 88 and name HN ) 2.5 0.7 0.6 ! A.1146 at 2.31e+07 assign (resid 87 and name HN ) (resid 88 and name HA ) 4.0 2.2 1.0 ! A.1150 at 6.81e+06 assign (resid 87 and name HB1 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.403 at 2.19e+06 assign (resid 87 and name HN ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.1146 at 1.01e+07 assign (resid 87 and name HA ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.2472 at 3.38e+06 assign (resid 87 and name HN ) (resid 89 and name HB ) 4.5 2.2 2.0 ! A.1158 at 3.92e+06 assign (resid 87 and name HN ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.1410 at 3.52e+06 assign (resid 87 and name HN ) (resid 90 and name HB ) 4.0 2.2 1.0 ! A.2635 at 8.56e+06 assign (resid 87 and name HB1 ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.1464 at 1.95e+06 assign (resid 87 and name HA ) (resid 90 and name HN ) 3.0 0.7 0.6 ! A.1458 at 2.01e+07 assign (resid 87 and name HB2 ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.1465 at 3.31e+06 assign (resid 87 and name HB2 ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.165 at 3.19e+06 assign (resid 87 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.156 at 8.64e+06 assign (resid 87 and name HB1 ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.164 at 2.44e+06 assign (resid 87 and name HB1 ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.48 at 3.38e+06 ! S88 assign (resid 88 and name HB# ) (resid 88 and name HN ) 2.5 0.7 1.1 ! A.1046 at 3.68e+07 assign (resid 88 and name HA ) (resid 89 and name HN ) 3.0 0.7 0.6 ! A.396 at 2.44e+07 assign (resid 88 and name HN ) (resid 89 and name HG2# ) 4.0 2.2 1.5 ! A.1053 at 9.21e+06 assign (resid 88 and name HN ) (resid 89 and name HB ) 4.5 2.2 2.0 ! A.2625 at 5.17e+06 assign (resid 88 and name HN ) (resid 90 and name HB ) 3.5 0.7 0.6 ! A.2621 at 1.77e+07 assign (resid 88 and name HN ) (resid 90 and name HA ) 4.5 2.2 1.5 ! A.2622 at 8.05e+06 assign (resid 88 and name HN ) (resid 90 and name HG2# ) 4.5 2.2 2.5 ! A.2626 at 4.54e+06 assign (resid 88 and name HN ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.1455 at 1.09e+07 assign (resid 88 and name HA ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.1459 at 9.49e+06 assign (resid 88 and name HN ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.1040 at 2.93e+06 assign (resid 88 and name HN ) (resid 91 and name HB2 ) 4.5 2.2 2.0 ! A.1047 at 3.14e+06 assign (resid 88 and name HN ) (resid 91 and name HD# ) 4.0 2.2 1.5 ! A.1037 at 7.54e+06 assign (resid 88 and name HN ) (resid 91 and name HE# ) 4.5 2.2 2.5 ! A.2620 at 2.81e+06 assign (resid 88 and name HN ) (resid 92 and name HN ) 4.5 1.2 1.0 ! A.1019 at 1.08e+07 assign (resid 88 and name HN ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.1048 at 3.49e+06 assign (resid 88 and name HB# ) (resid 105 and name HN ) 4.5 2.2 2.5 ! A.3663 at 4.64e+06 ! V89 assign (resid 89 and name HB ) (resid 89 and name HN ) 2.5 0.7 0.6 ! A.405 at 5.83e+07 assign (resid 89 and name HG2# ) (resid 89 and name HN ) 2.5 0.7 1.1 ! A.410 at 4.01e+07 assign (resid 89 and name HG1# ) (resid 89 and name HN ) 2.5 0.7 1.1 ! A.410 at 2.01e+07 assign (resid 89 and name HN ) (resid 90 and name HN ) 2.5 0.7 0.6 ! A.1455 at 3.09e+07 assign (resid 89 and name HN ) (resid 90 and name HA ) 4.0 2.2 1.0 ! A.397 at 6.84e+06 assign (resid 89 and name HN ) (resid 90 and name HB ) 3.5 1.2 0.7 ! A.2473 at 1.37e+07 assign (resid 89 and name HA ) (resid 90 and name HN ) 3.5 1.2 0.7 ! A.1462 at 1.43e+07 assign (resid 89 and name HG2# ) (resid 90 and name HN ) 4.0 2.2 1.5 ! A.1470 at 1.08e+07 assign (resid 89 and name HG1# ) (resid 90 and name HN ) 3.0 0.7 1.1 ! A.1470 at 2.08e+07 assign (resid 89 and name HB ) (resid 90 and name HN ) 3.5 0.7 0.6 ! A.1466 at 1.09e+07 assign (resid 89 and name HG1# ) (resid 91 and name HN ) 4.5 2.2 2.5 ! A.2429 at 5.64e+06 assign (resid 89 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.153 at 7.61e+06 assign (resid 89 and name HB ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.166 at 6.05e+06 assign (resid 89 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.161 at 7.51e+06 assign (resid 89 and name HG1# ) (resid 92 and name HN ) 4.0 2.2 1.5 ! A.2598 at 9.99e+06 assign (resid 89 and name HN ) (resid 92 and name HG2# ) 4.5 2.2 2.5 ! A.411 at 6.43e+06 assign (resid 89 and name HN ) (resid 92 and name HN ) 3.5 0.7 1.0 ! A.1019 at 1.08e+07 assign (resid 89 and name HA ) (resid 93 and name HN ) 2.5 0.7 0.6 ! A.1134 at 1.86e+07 assign (resid 89 and name HG1# ) (resid 93 and name HN ) 4.0 1.2 1.5 ! A.1143 at 1.12e+07 assign (resid 89 and name HN ) (resid 100 and name HG1# ) 4.5 2.2 2.5 ! A.2474 at 4.79e+06 assign (resid 89 and name HN ) (resid 100 and name HG2# ) 4.5 2.2 2.5 ! A.2475 at 3.19e+06 ! T90 assign (resid 90 and name HG2# ) (resid 90 and name HN ) 3.0 0.7 1.1 ! A.1469 at 2.92e+07 assign (resid 90 and name HB ) (resid 90 and name HN ) 2.5 0.7 0.6 ! A.3681 at 6.46e+07 assign (resid 90 and name HG2# ) (resid 91 and name HN ) 2.5 0.7 1.1 ! A.167 at 2.24e+07 assign (resid 90 and name HB ) (resid 91 and name HN ) 2.5 0.7 0.6 ! A.157 at 6.00e+07 assign (resid 90 and name HN ) (resid 91 and name HN ) 2.5 0.7 0.6 ! A.1457 at 3.28e+07 assign (resid 90 and name HA ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.160 at 2.50e+06 assign (resid 90 and name HN ) (resid 91 and name HB2 ) 4.5 2.2 2.0 ! A.1463 at 4.83e+06 assign (resid 90 and name HA ) (resid 92 and name HN ) 4.0 2.2 1.0 ! A.1027 at 9.04e+06 assign (resid 90 and name HG2# ) (resid 92 and name HN ) 4.5 2.2 2.5 ! A.2599 at 4.03e+06 assign (resid 90 and name HN ) (resid 92 and name HN ) 3.0 0.7 0.6 ! A.1020 at 1.74e+07 assign (resid 90 and name HN ) (resid 92 and name HG2# ) 4.5 2.2 2.5 ! A.3682 at 4.02e+06 assign (resid 90 and name HN ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.1126 at 5.98e+06 assign (resid 90 and name HG2# ) (resid 93 and name HN ) 4.5 2.2 2.5 ! A.2632 at 4.48e+06 assign (resid 90 and name HA ) (resid 93 and name HN ) 3.0 0.7 0.6 ! A.1133 at 1.97e+07 assign (resid 90 and name HN ) (resid 93 and name HB2 ) 4.5 2.2 2.0 ! A.1467 at 4.35e+06 assign (resid 90 and name HG2# ) (resid 94 and name HN ) 4.0 2.2 1.5 ! A.563 at 7.84e+06 assign (resid 90 and name HA ) (resid 94 and name HN ) 3.5 1.2 0.7 ! A.555 at 1.33e+07 ! Y91 assign (resid 91 and name HD# ) (resid 91 and name HN ) 2.5 0.7 1.1 ! A.2423 at 2.59e+07 assign (resid 91 and name HE# ) (resid 91 and name HN ) 4.5 2.2 2.5 ! A.2424 at 4.51e+06 assign (resid 91 and name HB1 ) (resid 91 and name HN ) 3.0 0.7 0.6 ! A.163 at 2.22e+07 assign (resid 91 and name HB2 ) (resid 91 and name HN ) 2.5 0.7 0.6 ! A.163 at 3.22e+07 assign (resid 91 and name HN ) (resid 92 and name HN ) 2.5 0.7 0.6 ! A.1021 at 3.65e+07 assign (resid 91 and name HN ) (resid 92 and name HG2# ) 4.5 2.2 2.5 ! A.2430 at 3.78e+06 assign (resid 91 and name HD# ) (resid 92 and name HN ) 4.0 2.2 1.5 ! A.1056 at 9.40e+06 assign (resid 91 and name HN ) (resid 92 and name HA ) 4.0 2.2 1.0 ! A.161 at 6.51e+06 assign (resid 91 and name HA ) (resid 92 and name HN ) 3.0 0.7 0.6 ! A.920 at 4.33e+07 assign (resid 91 and name HB1 ) (resid 92 and name HN ) 3.0 0.7 0.6 ! A.1030 at 2.98e+07 assign (resid 91 and name HB2 ) (resid 92 and name HN ) 2.5 0.7 0.6 ! A.1030 at 2.98e+07 assign (resid 91 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.153 at 8.61e+06 assign (resid 91 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.1131 at 1.18e+07 assign (resid 91 and name HN ) (resid 93 and name HB1 ) 4.5 2.2 2.0 ! A.166 at 6.05e+06 assign (resid 91 and name HB1 ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.1136 at 3.81e+06 assign (resid 91 and name HB2 ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.1136 at 3.81e+06 assign (resid 91 and name HA ) (resid 94 and name HN ) 2.5 0.7 0.6 ! A.553 at 2.36e+07 assign (resid 91 and name HN ) (resid 94 and name HB1 ) 4.0 2.2 1.0 ! A.162 at 7.56e+06 assign (resid 91 and name HN ) (resid 94 and name HB2 ) 4.0 2.2 1.0 ! A.162 at 7.56e+06 assign (resid 91 and name HN ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.547 at 4.33e+06 assign (resid 91 and name HB1 ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.401 at 1.06e+07 assign (resid 91 and name HB2 ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.401 at 1.06e+07 assign (resid 91 and name HB1 ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.521 at 3.54e+06 assign (resid 91 and name HA ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.516 at 7.77e+06 assign (resid 91 and name HA ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.3728 at 6.49e+06 assign (resid 91 and name HN ) (resid 104 and name HB2 ) 4.5 2.2 2.0 ! A.2426 at 5.06e+06 assign (resid 91 and name HN ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.2427 at 4.79e+06 assign (resid 91 and name HB1 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.748 at 5.53e+06 assign (resid 91 and name HB2 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.748 at 5.53e+06 assign (resid 91 and name HD1 ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.2403 at 1.29e+06 assign (resid 91 and name HE1 ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.2404 at 8.29e+06 ! T92 assign (resid 92 and name HB ) (resid 92 and name HN ) 3.0 0.7 0.6 ! A.1026 at 5.89e+07 assign (resid 92 and name HG2# ) (resid 92 and name HN ) 3.0 0.7 1.1 ! A.1035 at 3.31e+07 assign (resid 92 and name HN ) (resid 93 and name HB2 ) 4.5 2.2 2.0 ! A.924 at 4.23e+06 assign (resid 92 and name HN ) (resid 93 and name HG1 ) 4.5 2.2 2.0 ! A.2605 at 4.71e+06 assign (resid 92 and name HN ) (resid 93 and name HN ) 2.5 0.7 0.6 ! A.1125 at 3.77e+07 assign (resid 92 and name HN ) (resid 93 and name HA ) 4.5 2.2 2.0 ! A.2606 at 5.12e+06 assign (resid 92 and name HB ) (resid 93 and name HN ) 3.0 0.7 0.6 ! A.1132 at 7.40e+07 assign (resid 92 and name HG2# ) (resid 93 and name HN ) 3.0 0.7 1.1 ! A.1144 at 3.03e+07 assign (resid 92 and name HN ) (resid 93 and name HB1 ) 4.5 2.2 1.5 ! A.1032 at 7.61e+06 assign (resid 92 and name HA ) (resid 93 and name HN ) 3.0 0.7 0.6 ! A.1134 at 1.56e+07 assign (resid 92 and name HB ) (resid 94 and name HN ) 4.0 2.2 1.5 ! A.554 at 1.09e+07 assign (resid 92 and name HN ) (resid 94 and name HN ) 3.0 0.7 0.6 ! A.1019 at 4.38e+07 assign (resid 92 and name HG2# ) (resid 94 and name HN ) 4.0 2.2 1.5 ! A.2504 at 6.61e+06 assign (resid 92 and name HA ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.557 at 9.65e+06 assign (resid 92 and name HN ) (resid 94 and name HB1 ) 4.0 2.2 1.0 ! A.1029 at 7.13e+06 assign (resid 92 and name HA ) (resid 95 and name HN ) 2.5 0.7 0.6 ! A.519 at 1.54e+07 assign (resid 92 and name HN ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.1023 at 3.05e+06 assign (resid 92 and name HG2# ) (resid 95 and name HN ) 4.5 2.2 2.5 ! A.2496 at 6.15e+06 assign (resid 92 and name HB ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.517 at 3.99e+06 assign (resid 92 and name HN ) (resid 95 and name HB# ) 4.0 2.2 1.5 ! A.2600 at 9.81e+06 assign (resid 92 and name HA ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.3732 at 5.03e+06 assign (resid 92 and name HG2# ) (resid 96 and name HN ) 4.5 2.2 2.5 ! A.3732 at 4.98e+06 assign (resid 92 and name HN ) (resid 97 and name HB2 ) 4.5 2.2 2.0 ! A.1033 at 5.76e+06 assign (resid 92 and name HB ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.1521 at 9.86e+06 assign (resid 92 and name HA ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.1523 at 1.13e+07 assign (resid 92 and name HG2# ) (resid 97 and name HN ) 3.5 0.7 1.1 ! A.1533 at 2.74e+07 assign (resid 92 and name HN ) (resid 97 and name HN ) 4.0 2.2 1.5 ! A.1515 at 1.13e+07 assign (resid 92 and name HA ) (resid 97 and name HE ) 4.5 1.5 2.0 ! A.2786 at 3.01e+06 assign (resid 92 and name HB ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.3693 at 4.27e+06 assign (resid 92 and name HG2# ) (resid 98 and name HN ) 3.5 1.2 1.2 ! A.3694 at 1.37e+07 assign (resid 92 and name HN ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1700 at 2.12e+06 assign (resid 92 and name HA ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1708 at 2.21e+06 assign (resid 92 and name HB ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1705 at 3.13e+06 assign (resid 92 and name HG2# ) (resid 99 and name HN ) 2.5 0.7 1.1 ! A.1718 at 2.73e+07 assign (resid 92 and name HG2# ) (resid 100 and name HN ) 4.0 1.2 1.2 ! A.19 at 1.30e+07 assign (resid 92 and name HG2# ) (resid 101 and name HN ) 4.0 2.2 1.5 ! A.1260 at 9.09e+06 ! E93 assign (resid 93 and name HG2 ) (resid 93 and name HN ) 3.0 0.7 0.6 ! A.1138 at 3.02e+07 assign (resid 93 and name HG1 ) (resid 93 and name HN ) 3.0 0.7 0.6 ! A.1137 at 4.34e+07 assign (resid 93 and name HB2 ) (resid 93 and name HN ) 2.5 0.7 0.6 ! A.1141 at 4.88e+07 assign (resid 93 and name HB1 ) (resid 93 and name HN ) 3.0 0.7 0.6 ! A.1140 at 6.98e+07 assign (resid 93 and name HB1 ) (resid 94 and name HN ) 3.0 0.7 0.6 ! A.560 at 4.25e+07 assign (resid 93 and name HA ) (resid 94 and name HN ) 3.5 1.2 0.7 ! A.552 at 1.37e+07 assign (resid 93 and name HB2 ) (resid 94 and name HN ) 3.0 0.7 0.6 ! A.406 at 2.50e+07 assign (resid 93 and name HG2 ) (resid 94 and name HN ) 4.0 1.2 1.0 ! A.559 at 1.29e+07 assign (resid 93 and name HG1 ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.404 at 9.19e+06 assign (resid 93 and name HN ) (resid 94 and name HA ) 4.5 2.2 2.0 ! A.1129 at 4.67e+06 assign (resid 93 and name HN ) (resid 94 and name HB1 ) 4.0 2.2 1.0 ! A.1135 at 7.96e+06 assign (resid 93 and name HN ) (resid 94 and name HB2 ) 4.0 2.2 1.0 ! A.1135 at 7.96e+06 assign (resid 93 and name HB2 ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.524 at 3.55e+06 assign (resid 93 and name HB1 ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.523 at 5.29e+06 assign (resid 93 and name HG2 ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.522 at 1.82e+06 assign (resid 93 and name HN ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.1128 at 6.40e+06 assign (resid 93 and name HN ) (resid 95 and name HB# ) 4.5 2.2 2.5 ! A.2633 at 4.58e+06 assign (resid 93 and name HA ) (resid 96 and name HN ) 2.5 0.7 0.6 ! A.3727 at 2.15e+07 assign (resid 93 and name HN ) (resid 97 and name HB2 ) 4.5 2.2 2.0 ! A.1142 at 4.04e+06 assign (resid 93 and name HG1 ) (resid 97 and name HN ) 4.5 2.2 2.0 ! A.3684 at 3.08e+06 assign (resid 93 and name HG2 ) (resid 97 and name HN ) 4.5 2.2 2.0 ! A.3685 at 4.18e+06 assign (resid 93 and name HB2 ) (resid 97 and name HN ) 4.0 2.2 1.5 ! A.3686 at 1.13e+07 assign (resid 93 and name HA ) (resid 97 and name HN ) 2.5 0.7 0.6 ! A.1520 at 3.27e+07 assign (resid 93 and name HA ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1566 at 4.66e+06 ! H94 assign (resid 94 and name HD2 ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.2503 at 5.49e+06 assign (resid 94 and name HB1 ) (resid 94 and name HN ) 2.5 0.7 0.6 ! A.558 at 1.06e+08 assign (resid 94 and name HB2 ) (resid 94 and name HN ) 2.5 0.7 0.6 ! A.558 at 1.06e+08 assign (resid 94 and name HA ) (resid 95 and name HN ) 2.5 0.7 0.6 ! A.514 at 2.31e+07 assign (resid 94 and name HN ) (resid 95 and name HN ) 2.5 0.7 0.6 ! A.510 at 7.46e+07 assign (resid 94 and name HN ) (resid 95 and name HB# ) 3.5 1.2 1.2 ! A.561 at 1.43e+07 assign (resid 94 and name HB1 ) (resid 95 and name HN ) 2.5 0.7 0.6 ! A.520 at 2.47e+07 assign (resid 94 and name HB2 ) (resid 95 and name HN ) 3.0 0.7 0.6 ! A.520 at 1.47e+07 assign (resid 94 and name HN ) (resid 96 and name HG1 ) 4.5 2.2 2.0 ! A.562 at 3.82e+06 assign (resid 94 and name HN ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.545 at 5.93e+06 assign (resid 94 and name HB# ) (resid 96 and name HN ) 4.0 2.2 1.5 ! A.1687 at 8.66e+06 assign (resid 94 and name HA ) (resid 96 and name HN ) 3.5 1.2 0.7 ! A.3725 at 1.49e+07 assign (resid 94 and name HN ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.1513 at 7.26e+06 ! A95 assign (resid 95 and name HB# ) (resid 95 and name HN ) 2.5 0.7 1.1 ! A.526 at 1.61e+08 assign (resid 95 and name HN ) (resid 96 and name HA ) 3.5 0.7 0.6 ! A.518 at 1.77e+07 assign (resid 95 and name HN ) (resid 96 and name HN ) 2.5 0.7 0.6 ! A.1679 at 6.28e+07 assign (resid 95 and name HA ) (resid 96 and name HN ) 2.5 0.7 0.6 ! A.3726 at 3.69e+07 assign (resid 95 and name HB# ) (resid 96 and name HN ) 2.5 0.7 1.1 ! A.3732 at 2.87e+07 assign (resid 95 and name HN ) (resid 96 and name HG1 ) 4.0 2.2 1.0 ! A.527 at 9.68e+06 assign (resid 95 and name HN ) (resid 97 and name HN ) 3.5 1.2 0.7 ! A.1516 at 1.27e+07 assign (resid 95 and name HB# ) (resid 97 and name HN ) 2.5 0.7 1.1 ! A.1530 at 3.27e+07 assign (resid 95 and name HA ) (resid 97 and name HE ) 4.5 1.5 2.0 ! A.2785 at 2.19e+06 assign (resid 95 and name HB# ) (resid 97 and name HE ) 4.0 1.2 1.5 ! A.2791 at 8.86e+06 assign (resid 95 and name HN ) (resid 97 and name HB2 ) 4.5 2.2 2.0 ! A.525 at 4.77e+06 ! K96 assign (resid 96 and name HB2 ) (resid 96 and name HN ) 3.5 0.7 0.6 ! A.1693 at 2.09e+07 assign (resid 96 and name HB1 ) (resid 96 and name HN ) 2.5 0.7 0.6 ! A.1692 at 2.56e+07 assign (resid 96 and name HG# ) (resid 96 and name HN ) 2.5 0.7 1.1 ! A.1695 at 5.48e+07 assign (resid 96 and name HE# ) (resid 96 and name HN ) 4.5 2.2 2.5 ! A.3732 at 4.58e+06 assign (resid 96 and name HD1 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.3732 at 9.81e+06 assign (resid 96 and name HD2 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.3732 at 9.53e+06 assign (resid 96 and name HB1 ) (resid 97 and name HN ) 3.5 0.7 1.0 ! A.1526 at 1.60e+07 assign (resid 96 and name HA ) (resid 97 and name HN ) 2.5 0.7 0.6 ! A.1522 at 9.37e+07 assign (resid 96 and name HN ) (resid 97 and name HN ) 2.5 0.7 0.6 ! A.1514 at 6.23e+07 assign (resid 96 and name HN ) (resid 97 and name HA ) 4.5 2.2 2.0 ! A.3724 at 4.77e+06 assign (resid 96 and name HG1 ) (resid 97 and name HN ) 3.5 1.2 0.7 ! A.1531 at 1.43e+07 assign (resid 96 and name HG2 ) (resid 97 and name HN ) 4.0 1.2 1.5 ! A.1531 at 1.43e+07 assign (resid 96 and name HE# ) (resid 98 and name HN ) 4.5 2.2 2.5 ! A.1569 at 1.87e+06 assign (resid 96 and name HB2 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1571 at 7.16e+06 assign (resid 96 and name HD1 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1572 at 5.45e+06 assign (resid 96 and name HA ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1568 at 4.45e+06 ! R97 assign (resid 97 and name HG# ) (resid 97 and name HN ) 3.0 0.7 1.1 ! A.1529 at 5.23e+07 assign (resid 97 and name HD# ) (resid 97 and name HN ) 3.5 1.2 1.2 ! A.1525 at 1.26e+07 assign (resid 97 and name HA ) (resid 97 and name HE ) 4.5 1.5 2.0 ! A.2784 at 3.62e+06 assign (resid 97 and name HB# ) (resid 97 and name HE ) 4.0 1.2 1.5 ! A.2788 at 6.56e+06 assign (resid 97 and name HG1 ) (resid 97 and name HE ) 2.5 0.7 0.7 ! A.2789 at 1.85e+07 assign (resid 97 and name HG2 ) (resid 97 and name HE ) 2.5 0.7 0.7 ! A.2790 at 2.05e+07 assign (resid 97 and name HB1 ) (resid 97 and name HN ) 3.0 0.7 0.6 ! A.1528 at 1.44e+07 assign (resid 97 and name HB2 ) (resid 97 and name HN ) 3.0 0.7 0.6 ! A.1528 at 2.44e+07 assign (resid 97 and name HN ) (resid 98 and name HA ) 4.0 2.2 1.0 ! A.1519 at 8.96e+06 assign (resid 97 and name HN ) (resid 98 and name HG1 ) 4.5 2.2 2.5 ! A.1532 at 3.51e+06 assign (resid 97 and name HN ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1549 at 5.63e+06 assign (resid 97 and name HA ) (resid 98 and name HN ) 2.5 0.7 0.6 ! A.1552 at 8.80e+07 assign (resid 97 and name HB2 ) (resid 98 and name HN ) 3.5 0.7 0.6 ! A.1559 at 3.92e+07 assign (resid 97 and name HB1 ) (resid 98 and name HN ) 2.5 0.7 0.6 ! A.1559 at 3.92e+07 assign (resid 97 and name HD# ) (resid 98 and name HN ) 4.5 2.2 2.5 ! A.1556 at 5.97e+06 assign (resid 97 and name HN ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1701 at 3.01e+06 assign (resid 97 and name HD# ) (resid 99 and name HN ) 4.0 2.2 1.5 ! A.2730 at 8.13e+06 assign (resid 97 and name HB1 ) (resid 99 and name HN ) 3.0 0.7 0.6 ! A.1711 at 4.76e+07 assign (resid 97 and name HA ) (resid 99 and name HN ) 4.0 1.2 1.0 ! A.1703 at 1.38e+07 ! K98 assign (resid 98 and name HB2 ) (resid 98 and name HN ) 3.0 0.7 0.6 ! A.1561 at 2.94e+07 assign (resid 98 and name HB1 ) (resid 98 and name HN ) 3.0 0.7 0.6 ! A.1558 at 2.05e+07 assign (resid 98 and name HG1 ) (resid 98 and name HN ) 3.0 0.7 0.6 ! A.1563 at 1.58e+07 assign (resid 98 and name HG2 ) (resid 98 and name HN ) 3.0 0.7 0.6 ! A.1563 at 1.58e+07 assign (resid 98 and name HD1 ) (resid 98 and name HN ) 3.5 0.7 0.6 ! A.1560 at 1.91e+07 assign (resid 98 and name HD2 ) (resid 98 and name HN ) 3.5 0.7 1.0 ! A.1562 at 1.67e+07 assign (resid 98 and name HN ) (resid 99 and name HN ) 3.0 0.7 0.6 ! A.1699 at 7.39e+07 assign (resid 98 and name HN ) (resid 99 and name HA ) 4.0 1.2 1.0 ! A.1551 at 1.34e+07 assign (resid 98 and name HN ) (resid 99 and name HB ) 4.0 2.2 1.0 ! A.1555 at 1.01e+07 assign (resid 98 and name HN ) (resid 99 and name HG2# ) 4.5 2.2 2.5 ! A.1564 at 4.42e+06 assign (resid 98 and name HB2 ) (resid 99 and name HN ) 3.5 1.2 0.7 ! A.1713 at 1.21e+07 assign (resid 98 and name HB1 ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.1710 at 8.01e+06 assign (resid 98 and name HA ) (resid 99 and name HN ) 2.5 0.7 0.6 ! A.1704 at 2.03e+07 assign (resid 98 and name HG1 ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1715 at 4.83e+06 assign (resid 98 and name HG2 ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1715 at 4.83e+06 ! T99 assign (resid 99 and name HB ) (resid 99 and name HN ) 2.5 0.7 0.6 ! A.1707 at 5.55e+07 assign (resid 99 and name HG2# ) (resid 99 and name HN ) 3.0 0.7 1.1 ! A.1717 at 1.55e+07 assign (resid 99 and name HG2# ) (resid 100 and name HN ) 2.5 0.7 1.1 ! A.18 at 3.02e+07 assign (resid 99 and name HN ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.1697 at 6.37e+06 assign (resid 99 and name HB ) (resid 100 and name HN ) 4.0 2.2 1.0 ! A.10 at 1.18e+07 assign (resid 99 and name HN ) (resid 100 and name HA ) 4.0 2.2 1.0 ! A.1706 at 6.78e+06 assign (resid 99 and name HN ) (resid 100 and name HG2# ) 4.5 2.2 2.5 ! A.1719 at 2.85e+06 assign (resid 99 and name HA ) (resid 100 and name HN ) 2.5 0.7 0.6 ! A.6 at 1.04e+08 assign (resid 99 and name HN ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.1249 at 1.62e+06 assign (resid 99 and name HG2# ) (resid 101 and name HN ) 4.5 2.2 2.5 ! A.1259 at 3.47e+06 assign (resid 99 and name HN ) (resid 101 and name HG2# ) 4.5 2.2 2.5 ! A.1716 at 3.97e+06 ! V100 assign (resid 100 and name HB ) (resid 100 and name HN ) 2.5 0.7 0.6 ! A.17 at 3.76e+07 assign (resid 100 and name HG2# ) (resid 100 and name HN ) 2.5 0.7 1.1 ! A.21 at 6.25e+07 assign (resid 100 and name HG1# ) (resid 100 and name HN ) 3.5 1.2 1.2 ! A.20 at 1.38e+07 assign (resid 100 and name HN ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.1245 at 2.98e+06 assign (resid 100 and name HG2# ) (resid 101 and name HN ) 4.0 2.2 1.5 ! A.1262 at 9.59e+06 assign (resid 100 and name HG1# ) (resid 101 and name HN ) 2.5 0.7 1.1 ! A.1261 at 2.51e+07 assign (resid 100 and name HN ) (resid 101 and name HA ) 4.5 2.2 2.0 ! A.6 at 4.04e+06 assign (resid 100 and name HA ) (resid 101 and name HN ) 2.5 0.7 0.6 ! A.1253 at 7.62e+07 ! T101 assign (resid 101 and name HG2# ) (resid 101 and name HN ) 2.5 0.7 1.1 ! A.1258 at 4.13e+07 assign (resid 101 and name HB ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.1251 at 8.74e+06 assign (resid 101 and name HG2# ) (resid 102 and name HN ) 3.5 0.7 1.1 ! A.1597 at 3.37e+07 assign (resid 101 and name HA ) (resid 102 and name HN ) 2.5 0.7 0.6 ! A.1583 at 7.83e+07 assign (resid 101 and name HB ) (resid 102 and name HN ) 2.5 0.7 0.6 ! A.1584 at 9.41e+07 assign (resid 101 and name HN ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1578 at 1.16e+07 assign (resid 101 and name HG2# ) (resid 103 and name HN ) 3.0 0.7 1.1 ! A.333 at 2.00e+07 assign (resid 101 and name HA ) (resid 103 and name HN ) 3.0 0.7 0.6 ! A.321 at 1.58e+07 assign (resid 101 and name HB ) (resid 103 and name HN ) 2.5 0.7 0.6 ! A.322 at 4.70e+07 assign (resid 101 and name HN ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.1246 at 1.92e+06 assign (resid 101 and name HB ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.743 at 9.84e+06 assign (resid 101 and name HG2# ) (resid 104 and name HN ) 3.0 0.7 1.1 ! A.756 at 2.34e+07 assign (resid 101 and name HN ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.1247 at 8.97e+06 assign (resid 101 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.742 at 8.03e+06 assign (resid 101 and name HN ) (resid 104 and name HA ) 4.5 2.2 2.0 ! A.1252 at 2.99e+06 assign (resid 101 and name HN ) (resid 104 and name HB2 ) 4.0 2.2 1.0 ! A.1256 at 1.19e+07 assign (resid 101 and name HN ) (resid 104 and name HB1 ) 2.5 0.7 0.6 ! A.1255 at 1.71e+07 assign (resid 101 and name HN ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1304 at 4.02e+06 assign (resid 101 and name HA ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1311 at 2.36e+06 assign (resid 101 and name HB ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1312 at 2.12e+06 ! S102 assign (resid 102 and name HB1 ) (resid 102 and name HN ) 2.5 0.7 0.6 ! A.3715 at 2.15e+07 assign (resid 102 and name HB2 ) (resid 102 and name HN ) 3.0 0.7 0.6 ! A.3716 at 3.99e+07 assign (resid 102 and name HN ) (resid 103 and name HN ) 2.5 0.7 0.6 ! A.1580 at 2.77e+07 assign (resid 102 and name HA ) (resid 103 and name HN ) 2.5 0.7 0.6 ! A.325 at 1.82e+07 assign (resid 102 and name HN ) (resid 103 and name HB2 ) 4.5 2.2 2.0 ! A.1595 at 3.42e+06 assign (resid 102 and name HN ) (resid 103 and name HB1 ) 4.5 2.2 2.0 ! A.1594 at 3.17e+06 assign (resid 102 and name HB2 ) (resid 103 and name HN ) 3.5 1.2 0.7 ! A.326 at 1.26e+07 assign (resid 102 and name HB1 ) (resid 103 and name HN ) 3.5 1.2 0.7 ! A.326 at 1.26e+07 assign (resid 102 and name HN ) (resid 103 and name HD1# ) 4.5 2.2 2.5 ! A.1598 at 3.16e+06 assign (resid 102 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.746 at 7.78e+06 assign (resid 102 and name HN ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.1581 at 4.82e+06 assign (resid 102 and name HN ) (resid 104 and name HB2 ) 4.5 2.2 2.0 ! A.1589 at 1.87e+06 assign (resid 102 and name HB1 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.747 at 4.57e+06 assign (resid 102 and name HB2 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.747 at 4.57e+06 assign (resid 102 and name HA ) (resid 105 and name HN ) 2.5 0.7 0.6 ! A.1315 at 1.78e+07 assign (resid 102 and name HN ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1582 at 4.08e+06 assign (resid 102 and name HB1 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1316 at 4.58e+06 assign (resid 102 and name HB2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1316 at 4.58e+06 assign (resid 102 and name HA ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.665 at 1.05e+07 ! L103 assign (resid 103 and name HD2# ) (resid 103 and name HN ) 4.5 2.2 2.5 ! A.336 at 3.27e+06 assign (resid 103 and name HB1 ) (resid 103 and name HN ) 2.5 0.7 0.6 ! A.330 at 8.68e+07 assign (resid 103 and name HB2 ) (resid 103 and name HN ) 2.5 0.7 0.6 ! A.331 at 9.11e+07 assign (resid 103 and name HD1# ) (resid 103 and name HN ) 3.0 0.7 1.1 ! A.335 at 3.01e+07 assign (resid 103 and name HG ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.332 at 9.46e+06 assign (resid 103 and name HN ) (resid 104 and name HN ) 2.5 0.7 0.6 ! A.740 at 4.65e+07 assign (resid 103 and name HN ) (resid 104 and name HB2 ) 4.5 2.2 2.0 ! A.327 at 3.89e+06 assign (resid 103 and name HN ) (resid 104 and name HA ) 4.5 2.2 2.0 ! A.323 at 5.60e+06 assign (resid 103 and name HN ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.2463 at 5.05e+06 assign (resid 103 and name HB1 ) (resid 104 and name HN ) 2.5 0.7 0.6 ! A.753 at 2.56e+07 assign (resid 103 and name HD2# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.758 at 1.04e+07 assign (resid 103 and name HG ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.755 at 4.51e+06 assign (resid 103 and name HB2 ) (resid 104 and name HN ) 3.0 0.7 0.6 ! A.754 at 2.99e+07 assign (resid 103 and name HA ) (resid 104 and name HN ) 3.0 0.7 0.6 ! A.745 at 2.55e+07 assign (resid 103 and name HD1# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.757 at 9.05e+06 assign (resid 103 and name HN ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1309 at 8.40e+06 assign (resid 103 and name HB1 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.3664 at 4.98e+06 assign (resid 103 and name HG ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.3665 at 4.71e+06 assign (resid 103 and name HD2# ) (resid 105 and name HN ) 4.5 1.2 1.5 ! A.3667 at 1.29e+07 assign (resid 103 and name HN ) (resid 105 and name HB ) 4.0 2.2 1.0 ! A.329 at 7.43e+06 assign (resid 103 and name HB2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1324 at 5.33e+06 assign (resid 103 and name HN ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.660 at 4.05e+06 assign (resid 103 and name HN ) (resid 106 and name HG2# ) 4.5 2.2 1.5 ! A.334 at 9.25e+06 assign (resid 103 and name HN ) (resid 106 and name HB ) 4.0 2.2 1.0 ! A.329 at 7.43e+06 assign (resid 103 and name HA ) (resid 106 and name HN ) 3.0 0.7 0.6 ! A.664 at 1.97e+07 assign (resid 103 and name HG ) (resid 107 and name HN ) 4.5 2.2 2.0 ! A.793 at 1.52e+06 assign (resid 103 and name HB1 ) (resid 107 and name HN ) 4.0 2.2 1.5 ! A.733 at 7.93e+06 ! D104 assign (resid 104 and name HB1 ) (resid 104 and name HN ) 2.5 0.7 0.6 ! A.749 at 4.84e+07 assign (resid 104 and name HB2 ) (resid 104 and name HN ) 2.5 0.7 0.6 ! A.750 at 3.18e+07 assign (resid 104 and name HN ) (resid 105 and name HN ) 2.5 0.7 0.6 ! A.1310 at 4.71e+07 assign (resid 104 and name HB1 ) (resid 105 and name HN ) 2.5 0.7 0.6 ! A.1318 at 3.09e+07 assign (resid 104 and name HB2 ) (resid 105 and name HN ) 3.0 0.7 0.6 ! A.1319 at 2.11e+07 assign (resid 104 and name HN ) (resid 105 and name HB ) 4.0 2.2 1.0 ! A.752 at 1.15e+07 assign (resid 104 and name HN ) (resid 105 and name HG2# ) 4.0 2.2 1.5 ! A.757 at 7.05e+06 assign (resid 104 and name HA ) (resid 105 and name HN ) 3.5 1.2 0.7 ! A.1313 at 1.50e+07 assign (resid 104 and name HB2 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.669 at 3.53e+06 assign (resid 104 and name HB1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.668 at 5.05e+06 assign (resid 104 and name HN ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.738 at 8.42e+06 assign (resid 104 and name HA ) (resid 106 and name HN ) 3.5 1.2 0.7 ! A.601 at 1.40e+07 assign (resid 104 and name HN ) (resid 106 and name HG2# ) 4.5 2.2 2.5 ! A.2542 at 5.15e+06 assign (resid 104 and name HN ) (resid 106 and name HB ) 4.5 2.2 2.0 ! A.752 at 5.15e+06 assign (resid 104 and name HN ) (resid 107 and name HN ) 4.5 2.2 2.0 ! A.739 at 3.31e+06 assign (resid 104 and name HN ) (resid 107 and name HB2 ) 4.5 2.2 2.0 ! A.751 at 2.38e+06 assign (resid 104 and name HB2 ) (resid 107 and name HN ) 4.5 2.2 2.0 ! A.788 at 4.29e+06 assign (resid 104 and name HB1 ) (resid 107 and name HN ) 4.5 2.2 2.0 ! A.787 at 4.20e+06 assign (resid 104 and name HA ) (resid 107 and name HN ) 3.5 0.7 0.6 ! A.724 at 1.79e+07 assign (resid 104 and name HB1 ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.46 at 2.41e+06 assign (resid 104 and name HA ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.39 at 1.02e+07 ! V105 assign (resid 105 and name HB ) (resid 105 and name HN ) 2.5 0.7 0.6 ! A.1321 at 7.27e+07 assign (resid 105 and name HG1# ) (resid 105 and name HN ) 3.0 0.7 1.1 ! A.1326 at 7.87e+07 assign (resid 105 and name HG2# ) (resid 105 and name HN ) 2.5 0.7 1.1 ! A.1328 at 2.82e+07 assign (resid 105 and name HN ) (resid 106 and name HN ) 2.5 0.7 0.6 ! A.1306 at 4.02e+07 assign (resid 105 and name HB ) (resid 106 and name HN ) 2.5 0.7 0.6 ! A.671 at 4.08e+07 assign (resid 105 and name HN ) (resid 106 and name HA ) 4.5 2.2 2.0 ! A.1317 at 4.91e+06 assign (resid 105 and name HN ) (resid 106 and name HB ) 4.0 2.2 1.0 ! A.1322 at 7.56e+06 assign (resid 105 and name HN ) (resid 106 and name HG2# ) 4.0 2.2 1.5 ! A.1327 at 6.92e+06 assign (resid 105 and name HN ) (resid 106 and name HG1# ) 4.0 2.2 1.5 ! A.3666 at 9.87e+06 assign (resid 105 and name HG1# ) (resid 106 and name HN ) 3.0 0.7 1.1 ! A.605 at 2.27e+07 assign (resid 105 and name HG2# ) (resid 106 and name HN ) 3.5 1.2 1.2 ! A.678 at 1.32e+07 assign (resid 105 and name HA ) (resid 106 and name HN ) 3.0 0.7 0.6 ! A.664 at 1.57e+07 assign (resid 105 and name HN ) (resid 107 and name HN ) 4.5 2.2 2.0 ! A.1307 at 4.29e+06 assign (resid 105 and name HA ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.2548 at 1.05e+07 assign (resid 105 and name HN ) (resid 107 and name HB2 ) 4.5 2.2 2.0 ! A.1320 at 1.80e+06 assign (resid 105 and name HB ) (resid 107 and name HN ) 4.0 0.7 1.0 ! A.731 at 8.96e+06 assign (resid 105 and name HB ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.51 at 2.33e+06 assign (resid 105 and name HG1# ) (resid 108 and name HN ) 4.5 2.2 2.5 ! A.57 at 5.30e+06 assign (resid 105 and name HN ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.1308 at 2.20e+06 assign (resid 105 and name HN ) (resid 108 and name HB# ) 4.0 2.2 1.5 ! A.1323 at 8.18e+06 assign (resid 105 and name HN ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.871 at 1.85e+06 assign (resid 105 and name HG2# ) (resid 109 and name HN ) 4.5 2.2 2.5 ! A.887 at 4.23e+06 assign (resid 105 and name HB ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.880 at 1.98e+06 assign (resid 105 and name HA ) (resid 109 and name HN ) 4.0 2.2 1.0 ! A.874 at 9.12e+06 ! V106 assign (resid 106 and name HG2# ) (resid 106 and name HN ) 2.5 0.7 1.1 ! A.677 at 4.39e+07 assign (resid 106 and name HB ) (resid 106 and name HN ) 2.5 0.7 0.6 ! A.672 at 8.68e+07 assign (resid 106 and name HG1# ) (resid 106 and name HN ) 2.5 0.7 1.1 ! A.676 at 9.72e+07 assign (resid 106 and name HN ) (resid 107 and name HB2 ) 4.5 2.2 2.0 ! A.670 at 4.64e+06 assign (resid 106 and name HN ) (resid 107 and name HB1 ) 4.5 2.2 2.0 ! A.2524 at 4.67e+06 assign (resid 106 and name HG2# ) (resid 107 and name HN ) 3.5 0.7 1.1 ! A.794 at 1.95e+07 assign (resid 106 and name HG1# ) (resid 107 and name HN ) 2.5 0.7 1.1 ! A.795 at 3.00e+07 assign (resid 106 and name HA ) (resid 107 and name HN ) 3.0 0.7 0.6 ! A.786 at 1.51e+07 assign (resid 106 and name HN ) (resid 107 and name HN ) 2.5 0.7 0.6 ! A.719 at 3.36e+07 assign (resid 106 and name HN ) (resid 107 and name HA ) 4.5 2.2 2.0 ! A.663 at 2.28e+06 assign (resid 106 and name HB ) (resid 107 and name HN ) 2.5 0.7 0.6 ! A.731 at 3.96e+07 assign (resid 106 and name HG1# ) (resid 108 and name HN ) 4.5 2.2 2.5 ! A.58 at 4.22e+06 assign (resid 106 and name HN ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.659 at 4.87e+06 assign (resid 106 and name HA ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.45 at 6.13e+06 assign (resid 106 and name HB ) (resid 108 and name HN ) 4.5 2.2 2.0 ! A.52 at 5.31e+06 assign (resid 106 and name HN ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.867 at 2.77e+06 assign (resid 106 and name HN ) (resid 109 and name HG ) 4.5 2.2 2.0 ! A.673 at 3.56e+06 assign (resid 106 and name HN ) (resid 109 and name HB2 ) 4.0 2.2 1.0 ! A.675 at 9.88e+06 assign (resid 106 and name HG2# ) (resid 109 and name HN ) 4.5 2.2 2.5 ! A.888 at 3.62e+06 assign (resid 106 and name HA ) (resid 109 and name HN ) 2.5 0.7 0.6 ! A.876 at 1.79e+07 assign (resid 106 and name HG1# ) (resid 109 and name HN ) 4.0 2.2 1.5 ! A.2570 at 7.36e+06 assign (resid 106 and name HB ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.881 at 4.31e+06 assign (resid 106 and name HA ) (resid 110 and name HN ) 4.0 2.2 1.0 ! A.703 at 8.71e+06 assign (resid 106 and name HG2# ) (resid 110 and name HN ) 4.5 2.2 2.5 ! A.2520 at 4.81e+06 assign (resid 106 and name HG1# ) (resid 110 and name HN ) 4.0 2.2 1.5 ! A.2521 at 8.42e+06 ! Y107 assign (resid 107 and name HB2 ) (resid 107 and name HN ) 2.5 0.7 0.6 ! A.790 at 5.84e+07 assign (resid 107 and name HB1 ) (resid 107 and name HN ) 3.0 0.7 0.6 ! A.789 at 5.97e+07 assign (resid 107 and name HE# ) (resid 107 and name HN ) 4.0 2.2 1.5 ! A.783 at 7.20e+06 assign (resid 107 and name HD# ) (resid 107 and name HN ) 2.5 0.7 1.1 ! A.2550 at 1.62e+07 assign (resid 107 and name HN ) (resid 108 and name HN ) 2.5 0.7 0.6 ! A.782 at 3.92e+07 assign (resid 107 and name HA ) (resid 108 and name HN ) 3.0 0.7 0.6 ! A.40 at 2.18e+07 assign (resid 107 and name HB1 ) (resid 108 and name HN ) 3.0 0.7 0.6 ! A.49 at 3.05e+07 assign (resid 107 and name HD2 ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.38 at 8.66e+06 assign (resid 107 and name HN ) (resid 108 and name HA ) 4.0 2.2 1.0 ! A.2549 at 1.05e+07 assign (resid 107 and name HB2 ) (resid 108 and name HN ) 2.5 0.7 0.6 ! A.50 at 3.75e+07 assign (resid 107 and name HN ) (resid 108 and name HB# ) 3.5 1.2 1.2 ! A.711 at 1.24e+07 assign (resid 107 and name HB1 ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.877 at 2.65e+06 assign (resid 107 and name HB2 ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.878 at 3.30e+06 assign (resid 107 and name HN ) (resid 109 and name HN ) 4.5 2.2 2.0 ! A.680 at 5.32e+06 assign (resid 107 and name HA ) (resid 109 and name HN ) 4.0 2.2 1.0 ! A.873 at 7.76e+06 assign (resid 107 and name HN ) (resid 110 and name HN ) 4.0 2.2 1.0 ! A.696 at 1.16e+07 assign (resid 107 and name HN ) (resid 110 and name HB1 ) 4.0 2.2 1.5 ! A.791 at 9.01e+06 assign (resid 107 and name HN ) (resid 110 and name HB2 ) 4.0 2.2 1.0 ! A.791 at 9.01e+06 assign (resid 107 and name HB1 ) (resid 111 and name HN ) 4.5 2.2 2.0 ! A.860 at 2.84e+06 ! A108 assign (resid 108 and name HB# ) (resid 108 and name HN ) 2.5 0.7 1.1 ! A.55 at 1.18e+08 assign (resid 108 and name HN ) (resid 109 and name HD1# ) 4.0 2.2 1.5 ! A.2402 at 1.19e+07 assign (resid 108 and name HN ) (resid 109 and name HA ) 4.0 2.2 1.0 ! A.43 at 7.98e+06 assign (resid 108 and name HN ) (resid 109 and name HG ) 4.5 2.2 1.5 ! A.54 at 8.56e+06 assign (resid 108 and name HN ) (resid 109 and name HN ) 2.5 0.7 0.6 ! A.869 at 3.24e+07 assign (resid 108 and name HN ) (resid 109 and name HB1 ) 4.5 2.2 2.0 ! A.56 at 5.74e+06 assign (resid 108 and name HB# ) (resid 109 and name HN ) 2.5 0.7 1.1 ! A.885 at 4.42e+07 assign (resid 108 and name HN ) (resid 109 and name HB2 ) 4.0 2.2 1.0 ! A.53 at 1.01e+07 assign (resid 108 and name HA ) (resid 109 and name HN ) 4.0 2.2 1.0 ! A.874 at 1.12e+07 assign (resid 108 and name HN ) (resid 110 and name HN ) 4.0 2.2 1.0 ! A.698 at 8.11e+06 assign (resid 108 and name HA ) (resid 110 and name HN ) 4.0 2.2 1.0 ! A.701 at 1.16e+07 assign (resid 108 and name HN ) (resid 111 and name HN ) 4.0 0.7 1.0 ! A.2564 at 1.84e+07 assign (resid 108 and name HA ) (resid 111 and name HN ) 3.0 0.7 0.6 ! A.856 at 1.79e+07 assign (resid 108 and name HA ) (resid 112 and name HN ) 4.0 2.2 1.0 ! A.3698 at 7.65e+06 ! L109 assign (resid 109 and name HG ) (resid 109 and name HN ) 2.5 0.7 0.6 ! A.884 at 5.59e+07 assign (resid 109 and name HB2 ) (resid 109 and name HN ) 2.5 0.7 0.6 ! A.886 at 3.07e+07 assign (resid 109 and name HB1 ) (resid 109 and name HN ) 3.0 0.7 0.6 ! A.883 at 5.65e+07 assign (resid 109 and name HD1# ) (resid 109 and name HN ) 2.5 0.7 1.1 ! A.889 at 2.60e+07 assign (resid 109 and name HD2# ) (resid 109 and name HN ) 3.0 0.7 1.1 ! A.889 at 1.60e+07 assign (resid 109 and name HA ) (resid 110 and name HN ) 3.0 0.7 0.6 ! A.702 at 1.68e+07 assign (resid 109 and name HN ) (resid 110 and name HN ) 2.5 0.7 0.6 ! A.868 at 2.94e+07 assign (resid 109 and name HG ) (resid 110 and name HN ) 4.0 2.2 1.0 ! A.2519 at 1.07e+07 assign (resid 109 and name HD1# ) (resid 110 and name HN ) 4.0 2.2 1.5 ! A.717 at 8.79e+06 assign (resid 109 and name HD2# ) (resid 110 and name HN ) 4.0 2.2 1.5 ! A.717 at 8.79e+06 assign (resid 109 and name HN ) (resid 111 and name HN ) 4.5 2.2 2.0 ! A.870 at 6.15e+06 assign (resid 109 and name HA ) (resid 111 and name HN ) 4.0 2.2 1.0 ! A.857 at 9.59e+06 assign (resid 109 and name HD1# ) (resid 111 and name HN ) 4.5 2.2 2.5 ! A.2562 at 4.81e+06 assign (resid 109 and name HN ) (resid 112 and name HB1 ) 4.5 2.2 2.0 ! A.879 at 2.02e+06 assign (resid 109 and name HA ) (resid 112 and name HN ) 2.5 0.7 0.6 ! A.3699 at 1.55e+07 assign (resid 109 and name HB1 ) (resid 112 and name HN ) 4.5 2.2 2.0 ! A.3707 at 2.81e+06 assign (resid 109 and name HD2# ) (resid 112 and name HN ) 4.5 2.2 2.5 ! A.3708 at 5.26e+06 assign (resid 109 and name HD2# ) (resid 112 and name HE21 ) 4.5 1.5 2.5 ! A.2796 at 2.55e+06 assign (resid 109 and name HG ) (resid 112 and name HE21 ) 4.5 1.5 2.0 ! A.2797 at 6.05e+06 assign (resid 109 and name HA ) (resid 112 and name HE21 ) 4.5 1.5 2.0 ! A.2803 at 2.75e+06 assign (resid 109 and name HD2# ) (resid 112 and name HE22 ) 4.5 1.5 2.5 ! A.2811 at 2.55e+06 assign (resid 109 and name HG ) (resid 112 and name HE22 ) 4.5 1.5 2.0 ! A.2812 at 6.05e+06 assign (resid 109 and name HA ) (resid 112 and name HE22 ) 4.5 1.5 2.0 ! A.2818 at 2.75e+06 assign (resid 109 and name HN ) (resid 112 and name HB2 ) 4.5 2.2 2.0 ! A.881 at 4.31e+06 assign (resid 109 and name HD2# ) (resid 114 and name HN ) 4.0 2.2 1.5 ! A.813 at 8.92e+06 assign (resid 109 and name HA ) (resid 114 and name HN ) 4.0 2.2 1.0 ! A.2576 at 7.21e+06 ! K110 assign (resid 110 and name HG2 ) (resid 110 and name HN ) 3.5 0.7 1.0 ! A.715 at 2.81e+07 assign (resid 110 and name HE# ) (resid 110 and name HN ) 4.5 2.2 2.5 ! A.2518 at 3.41e+06 assign (resid 110 and name HB1 ) (resid 110 and name HN ) 2.5 0.7 0.6 ! A.709 at 1.38e+08 assign (resid 110 and name HB2 ) (resid 110 and name HN ) 2.5 0.7 0.6 ! A.709 at 1.38e+08 assign (resid 110 and name HG1 ) (resid 110 and name HN ) 3.5 0.7 0.6 ! A.713 at 1.55e+07 assign (resid 110 and name HD# ) (resid 110 and name HN ) 3.5 1.2 1.2 ! A.713 at 1.25e+07 assign (resid 110 and name HN ) (resid 111 and name HN ) 2.5 0.7 0.6 ! A.849 at 4.47e+07 assign (resid 110 and name HG2 ) (resid 111 and name HN ) 4.0 2.2 1.0 ! A.866 at 7.85e+06 assign (resid 110 and name HN ) (resid 112 and name HB1 ) 4.5 2.2 2.0 ! A.706 at 3.51e+06 assign (resid 110 and name HA ) (resid 112 and name HN ) 3.5 0.7 0.6 ! A.3697 at 1.45e+07 assign (resid 110 and name HN ) (resid 112 and name HN ) 4.0 2.2 1.0 ! A.3711 at 1.00e+07 assign (resid 110 and name HN ) (resid 113 and name HN ) 4.0 1.2 1.0 ! A.1823 at 2.28e+07 assign (resid 110 and name HG2 ) (resid 113 and name HN ) 4.5 2.2 2.0 ! A.1838 at 3.36e+06 assign (resid 110 and name HB1 ) (resid 113 and name HN ) 4.0 2.2 1.2 ! A.1835 at 8.61e+06 assign (resid 110 and name HG2 ) (resid 114 and name HN ) 4.0 2.2 1.0 ! A.928 at 8.49e+06 assign (resid 110 and name HA ) (resid 114 and name HN ) 3.5 2.0 0.7 ! A.920 at 1.33e+07 assign (resid 110 and name HE# ) (resid 116 and name HN ) 4.5 2.2 2.5 ! A.27 at 4.01e+06 assign (resid 110 and name HG1 ) (resid 116 and name HN ) 4.5 2.2 2.0 ! A.29 at 5.25e+06 assign (resid 110 and name HB2 ) (resid 116 and name HN ) 4.5 2.2 2.5 ! A.28 at 2.45e+06 ! R111 assign (resid 111 and name HD2 ) (resid 111 and name HN ) 4.5 2.2 2.0 ! A.859 at 5.61e+06 assign (resid 111 and name HD1 ) (resid 111 and name HN ) 4.5 2.2 2.0 ! A.858 at 5.49e+06 assign (resid 111 and name HB2 ) (resid 111 and name HN ) 2.7 0.7 0.6 ! A.863 at 1.24e+08 assign (resid 111 and name HB1 ) (resid 111 and name HN ) 3.0 0.7 0.6 ! A.863 at 1.74e+07 assign (resid 111 and name HG1 ) (resid 111 and name HN ) 2.5 0.7 0.6 ! A.865 at 4.10e+07 assign (resid 111 and name HG2 ) (resid 111 and name HN ) 2.5 0.7 0.6 ! A.865 at 4.10e+07 assign (resid 111 and name HN ) (resid 112 and name HB1 ) 4.5 2.2 1.0 ! A.861 at 8.37e+06 assign (resid 111 and name HN ) (resid 112 and name HA ) 4.5 2.2 2.0 ! A.853 at 4.43e+06 assign (resid 111 and name HN ) (resid 112 and name HN ) 2.5 0.7 0.6 ! A.3709 at 4.23e+07 assign (resid 111 and name HA ) (resid 112 and name HN ) 2.5 0.7 0.6 ! A.3696 at 1.85e+07 assign (resid 111 and name HD# ) (resid 112 and name HN ) 4.5 2.2 2.5 ! A.3700 at 2.56e+06 assign (resid 111 and name HB# ) (resid 112 and name HN ) 2.5 0.7 1.1 ! A.3704 at 3.56e+07 assign (resid 111 and name HG1 ) (resid 112 and name HN ) 3.0 0.7 0.6 ! A.3705 at 1.51e+07 assign (resid 111 and name HG2 ) (resid 112 and name HN ) 3.5 0.7 1.0 ! A.3706 at 1.51e+07 assign (resid 111 and name HN ) (resid 112 and name HB2 ) 3.5 0.7 0.6 ! A.862 at 2.01e+07 assign (resid 111 and name HN ) (resid 113 and name HN ) 4.0 2.2 1.0 ! A.1825 at 8.04e+06 assign (resid 111 and name HB1 ) (resid 113 and name HN ) 4.0 2.2 1.5 ! A.1834 at 8.11e+06 assign (resid 111 and name HG1 ) (resid 113 and name HN ) 4.0 2.2 1.0 ! A.1837 at 6.73e+06 assign (resid 111 and name HG2 ) (resid 113 and name HN ) 4.0 2.2 1.2 ! A.1837 at 6.73e+06 assign (resid 111 and name HB2 ) (resid 113 and name HN ) 4.0 2.2 1.0 ! A.1835 at 8.61e+06 assign (resid 111 and name HN ) (resid 114 and name HN ) 3.5 1.2 1.0 ! A.850 at 1.66e+07 assign (resid 111 and name HA ) (resid 114 and name HN ) 4.5 2.2 2.0 ! A.920 at 6.33e+06 ! Q112 assign (resid 112 and name HB1 ) (resid 112 and name HN ) 3.0 0.7 0.6 ! A.3701 at 5.64e+07 assign (resid 112 and name HG# ) (resid 112 and name HN ) 3.0 0.7 1.1 ! A.3702 at 5.64e+07 assign (resid 112 and name HB2 ) (resid 112 and name HN ) 2.5 0.7 0.6 ! A.3703 at 4.53e+07 assign (resid 112 and name HB2 ) (resid 112 and name HE21 ) 4.0 1.5 1.2 ! A.2798 at 4.67e+06 assign (resid 112 and name HB1 ) (resid 112 and name HE21 ) 4.5 1.5 2.0 ! A.2799 at 4.67e+06 assign (resid 112 and name HG# ) (resid 112 and name HE21 ) 2.5 0.7 1.2 ! A.2800 at 3.66e+07 assign (resid 112 and name HA ) (resid 112 and name HE21 ) 4.5 1.5 2.0 ! A.2806 at 4.58e+06 assign (resid 112 and name HB2 ) (resid 112 and name HE22 ) 4.5 1.5 2.0 ! A.2813 at 4.67e+06 assign (resid 112 and name HB1 ) (resid 112 and name HE22 ) 4.5 1.5 2.0 ! A.2814 at 4.67e+06 assign (resid 112 and name HG# ) (resid 112 and name HE22 ) 2.5 0.7 1.2 ! A.2815 at 3.66e+07 assign (resid 112 and name HA ) (resid 112 and name HE22 ) 4.5 1.5 2.0 ! A.2821 at 4.58e+06 assign (resid 112 and name HN ) (resid 113 and name HN ) 4.0 2.2 1.0 ! A.1825 at 8.04e+06 assign (resid 112 and name HB2 ) (resid 113 and name HN ) 3.5 1.2 0.7 ! A.1833 at 1.29e+07 assign (resid 112 and name HA ) (resid 113 and name HN ) 2.5 0.7 0.6 ! A.1827 at 4.03e+07 !12-27assign (resid 112 and name HE21 ) (resid 113 and name HA2 ) 4.5 2.2 2.5 ! A.2804 at 9.02e+06 assign (resid 112 and name HB1 ) (resid 113 and name HN ) 3.0 0.7 0.6 ! A.1832 at 1.69e+07 assign (resid 112 and name HG# ) (resid 113 and name HN ) 3.5 0.7 1.1 ! A.1832 at 1.29e+07 assign (resid 112 and name HA ) (resid 114 and name HN ) 4.5 2.2 2.0 ! A.918 at 5.93e+06 assign (resid 112 and name HB2 ) (resid 114 and name HN ) 4.0 2.2 1.5 ! A.1031 at 9.28e+06 assign (resid 112 and name HB1 ) (resid 114 and name HN ) 4.0 2.2 1.0 ! A.923 at 8.53e+06 assign (resid 112 and name HN ) (resid 114 and name HN ) 4.5 2.2 2.0 ! A.916 at 5.67e+06 ! G113 assign (resid 113 and name HN ) (resid 114 and name HA ) 4.0 2.2 1.0 ! A.1826 at 7.36e+06 assign (resid 113 and name HN ) (resid 114 and name HN ) 2.5 0.7 0.6 ! A.1824 at 4.97e+08 assign (resid 113 and name HN ) (resid 114 and name HD2 ) 4.5 2.2 2.0 ! A.1831 at 3.22e+06 assign (resid 113 and name HN ) (resid 114 and name HB2 ) 4.0 2.2 1.0 ! A.1836 at 1.06e+07 assign (resid 113 and name HA2 ) (resid 114 and name HN ) 2.5 0.7 0.6 ! A.921 at 3.46e+07 ! R114 assign (resid 114 and name HD1 ) (resid 114 and name HN ) 4.5 2.2 2.0 ! A.804 at 6.45e+06 assign (resid 114 and name HD2 ) (resid 114 and name HN ) 4.0 2.2 1.0 ! A.2578 at 7.79e+06 assign (resid 114 and name HB1 ) (resid 114 and name HN ) 3.5 1.2 1.0 ! A.926 at 3.42e+07 assign (resid 114 and name HG1 ) (resid 114 and name HN ) 3.5 0.7 0.6 ! A.927 at 3.35e+07 assign (resid 114 and name HG2 ) (resid 114 and name HN ) 3.5 1.2 1.0 ! A.927 at 1.35e+07 assign (resid 114 and name HB2 ) (resid 114 and name HN ) 2.5 0.7 0.6 ! A.927 at 4.35e+07 assign (resid 114 and name HN ) (resid 115 and name HA ) 4.5 2.2 1.5 ! A.919 at 6.84e+06 assign (resid 114 and name HA ) (resid 115 and name HN ) 3.0 0.7 0.6 ! A.1636 at 1.14e+08 assign (resid 114 and name HD1 ) (resid 115 and name HN ) 4.5 2.2 2.0 ! A.1640 at 3.68e+06 assign (resid 114 and name HB1 ) (resid 115 and name HN ) 2.5 0.7 0.6 ! A.1642 at 2.62e+07 assign (resid 114 and name HD2 ) (resid 115 and name HN ) 4.5 2.2 2.0 ! A.1641 at 3.82e+06 assign (resid 114 and name HN ) (resid 115 and name HN ) 3.5 0.7 1.0 ! A.1635 at 1.71e+07 assign (resid 114 and name HB2 ) (resid 115 and name HN ) 3.0 1.2 0.7 ! A.1643 at 1.22e+07 assign (resid 114 and name HG2 ) (resid 115 and name HN ) 4.0 2.2 1.0 ! A.1643 at 1.12e+07 ! T115 assign (resid 115 and name HB ) (resid 115 and name HN ) 3.0 0.7 0.6 ! A.1639 at 5.65e+07 assign (resid 115 and name HG2# ) (resid 115 and name HN ) 2.5 0.7 1.1 ! A.1644 at 2.84e+07 assign (resid 115 and name HA ) (resid 116 and name HN ) 3.0 0.7 0.6 ! A.25 at 3.39e+07 assign (resid 115 and name HG2# ) (resid 116 and name HN ) 3.0 0.7 1.1 ! A.31 at 2.28e+07 assign (resid 115 and name HN ) (resid 116 and name HA ) 4.0 2.2 1.0 ! A.1637 at 8.98e+06 assign (resid 115 and name HB ) (resid 116 and name HN ) 3.5 0.7 0.6 ! A.26 at 2.18e+07 assign (resid 115 and name HN ) (resid 116 and name HN ) 3.0 0.7 0.6 ! A.1635 at 2.71e+07 assign (resid 115 and name HB ) (resid 117 and name HN ) 4.5 2.2 2.0 ! A.309 at 5.36e+06 ! L116 assign (resid 116 and name HG ) (resid 116 and name HN ) 3.5 0.7 0.6 ! A.30 at 2.09e+07 assign (resid 116 and name HB2 ) (resid 116 and name HN ) 3.0 0.7 0.6 ! A.30 at 3.09e+07 assign (resid 116 and name HB1 ) (resid 116 and name HN ) 3.5 1.2 0.7 ! A.30 at 1.29e+07 assign (resid 116 and name HD1# ) (resid 116 and name HN ) 4.0 2.2 1.5 ! A.32 at 9.05e+06 assign (resid 116 and name HD2# ) (resid 116 and name HN ) 4.0 2.2 1.5 ! A.32 at 1.05e+07 assign (resid 116 and name HN ) (resid 117 and name HA ) 4.0 2.2 1.5 ! A.23 at 1.01e+07 assign (resid 116 and name HA ) (resid 117 and name HN ) 2.5 0.7 0.6 ! A.308 at 6.80e+07 assign (resid 116 and name HD2# ) (resid 117 and name HN ) 4.5 2.2 2.5 ! A.316 at 5.66e+06 assign (resid 116 and name HD1# ) (resid 117 and name HN ) 4.5 2.2 1.5 ! A.315 at 7.54e+06 assign (resid 116 and name HG ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.06e+07 assign (resid 116 and name HB2 ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.06e+07 assign (resid 116 and name HB1 ) (resid 117 and name HN ) 3.5 1.2 0.7 ! A.314 at 1.26e+07 assign (resid 116 and name HB1 ) (resid 118 and name HN ) 4.5 2.2 2.0 ! A.1822 at 5.01e+06 assign (resid 116 and name HG ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.2594 at 9.04e+06 ! Y117 assign (resid 117 and name HB2 ) (resid 117 and name HN ) 2.5 0.7 0.6 ! A.313 at 3.72e+07 assign (resid 117 and name HB1 ) (resid 117 and name HN ) 3.0 0.7 0.6 ! A.312 at 2.09e+07 assign (resid 117 and name HD# ) (resid 117 and name HN ) 4.0 2.2 1.5 ! A.2459 at 1.07e+07 assign (resid 117 and name HN ) (resid 118 and name HA1 ) 4.5 2.2 2.0 ! A.310 at 3.01e+06 assign (resid 117 and name HN ) (resid 118 and name HA2 ) 4.5 2.2 2.0 ! A.311 at 2.57e+06 assign (resid 117 and name HB1 ) (resid 118 and name HN ) 3.5 1.2 0.7 ! A.1820 at 1.22e+07 assign (resid 117 and name HN ) (resid 118 and name HN ) 2.5 0.7 0.6 ! A.1814 at 1.51e+07 assign (resid 117 and name HD# ) (resid 118 and name HN ) 4.5 2.2 2.5 ! A.2753 at 5.78e+06 assign (resid 117 and name HA ) (resid 118 and name HN ) 2.7 0.7 0.6 ! A.1816 at 7.46e+07 assign (resid 117 and name HB2 ) (resid 118 and name HN ) 4.0 2.2 1.0 ! A.1821 at 1.15e+07 assign (resid 117 and name HB1 ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.983 at 1.02e+07 ! G118 assign (resid 118 and name HA2 ) (resid 119 and name HN ) 2.5 0.7 0.6 ! A.981 at 3.62e+07 assign (resid 118 and name HA1 ) (resid 119 and name HN ) 2.5 0.7 0.6 ! A.979 at 2.94e+07 assign (resid 118 and name HN ) (resid 119 and name HN ) 2.5 0.7 0.6 ! A.1815 at 3.24e+07 assign (resid 118 and name HN ) (resid 119 and name HB1 ) 4.5 2.2 2.0 ! A.1819 at 5.39e+06 assign (resid 118 and name HN ) (resid 119 and name HB2 ) 4.0 2.2 1.0 ! A.1821 at 1.15e+07 assign (resid 118 and name HA2 ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.1804 at 9.92e+06 assign (resid 118 and name HN ) (resid 120 and name HN ) 3.5 1.2 0.7 ! A.1797 at 1.39e+07 ! F119 assign (resid 119 and name HB2 ) (resid 119 and name HN ) 2.5 0.7 0.6 ! A.984 at 6.02e+07 assign (resid 119 and name HB1 ) (resid 119 and name HN ) 3.0 0.7 0.6 ! A.982 at 3.03e+07 assign (resid 119 and name HD# ) (resid 119 and name HN ) 2.5 0.7 1.1 ! A.2592 at 2.56e+07 assign (resid 119 and name HE# ) (resid 119 and name HN ) 4.0 2.2 1.5 ! A.2593 at 6.72e+06 assign (resid 119 and name HN ) (resid 120 and name HN ) 2.5 0.7 0.6 ! A.1798 at 2.25e+07 assign (resid 119 and name HB1 ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.1805 at 9.41e+06 assign (resid 119 and name HB2 ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.1806 at 8.55e+06 assign (resid 119 and name HA ) (resid 120 and name HN ) 3.0 0.7 0.6 ! A.1800 at 5.27e+07 assign (resid 119 and name HD# ) (resid 120 and name HN ) 4.5 2.2 2.5 ! A.2735 at 5.96e+06 assign (resid 119 and name HA ) (resid 121 and name HN ) 4.0 2.2 1.0 ! A.1647 at 8.15e+06 assign (resid 119 and name HN ) (resid 121 and name HN ) 4.5 2.2 2.0 ! A.944 at 5.14e+06 ! G120 assign (resid 120 and name HA2 ) (resid 121 and name HN ) 2.5 0.7 0.6 ! A.1649 at 5.59e+07 assign (resid 120 and name HA1 ) (resid 121 and name HN ) 2.7 0.7 0.6 ! A.1648 at 4.97e+07 assign (resid 120 and name HN ) (resid 121 and name HN ) 3.5 1.2 0.7 ! A.1645 at 1.34e+07 ! G121 !@ END_XPLR_NOE_FILE
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