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 |
|
|
651246 |
6u46   |
30657 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: NOE_8306.tbl ! pck2xplr.nawk Table; Input File: NOESY2.dat ! Date: Mon Jun 10 14:42:32 EDT 2013 ! Path: /home/yang/data/disk02/yang02/Yanwu-043013-SCI83-06/2 ! !intra.tbl (i,i): 345 !seq.tbl (i,i+1): 236 !med.tbl (i,2-5): 163 !long.tbl (i,>5): 157 !Total: 901 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! F1 assign (resid 1 and name HD2 ) (resid 1 and name HA ) 4.0 2.2 0.5 ! A.595 at 6.97e+07 assign (resid 1 and name HD1 ) (resid 17 and name HB2 ) 4.0 2.2 0.3 ! A.629 at 4.75e+07 assign (resid 1 and name HA ) (resid 2 and name HN ) 3.0 1.2 0.5 ! A.577 at 3.73e+06 assign (resid 1 and name HD2 ) (resid 4 and name HG1 ) 4.0 2.2 1.3 ! B.532 at 5.50e+07 assign (resid 1 and name HZ ) (resid 6 and name HD2# ) 3.0 1.2 1.0 ! B.371 at 1.74e+08 assign (resid 1 and name HE2 ) (resid 6 and name HB2 ) 4.0 2.2 1.0 ! B.535 at 1.08e+08 assign (resid 1 and name HE2 ) (resid 6 and name HG ) 3.0 1.2 1.5 ! B.538 at 9.41e+07 assign (resid 1 and name HE1 ) (resid 17 and name HB1 ) 3.0 1.2 1.0 ! B.534 at 7.01e+07 assign (resid 1 and name HE1 ) (resid 17 and name HB2 ) 4.0 2.2 1.0 ! B.537 at 5.65e+07 assign (resid 1 and name HD1 ) (resid 17 and name HD2# ) 4.0 2.2 1.5 ! B.541 at 4.26e+07 assign (resid 1 and name HZ ) (resid 18 and name HG1# ) 4.0 2.2 1.0 ! B.542 at 9.00e+07 assign (resid 1 and name HD2 ) (resid 51 and name HD2# ) 3.0 1.2 1.3 ! B.539 at 1.24e+08 assign (resid 1 and name HE2 ) (resid 54 and name HD1# ) 3.0 1.2 1.0 ! B.540 at 1.11e+08 ! V2 assign (resid 2 and name HA ) (resid 2 and name HB ) 2.5 0.7 0.3 ! assign (resid 2 and name HA ) (resid 2 and name HN ) 3.0 1.2 0.4 ! assign (resid 2 and name HG1# ) (resid 2 and name HN ) 4.0 2.2 1.5 ! A.583 at 2.34e+06 assign (resid 2 and name HB ) (resid 2 and name HN ) 3.0 1.2 1.0 ! A.582 at 1.92e+07 assign (resid 2 and name HG1# ) (resid 2 and name HA ) 3.0 1.2 1.0 ! B.164 at 2.17e+08 assign (resid 2 and name HG2# ) (resid 2 and name HA ) 3.0 1.2 0.7 ! B.165 at 1.99e+08 assign (resid 2 and name HB ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.425 at 3.75e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.0 1.2 0.4 ! A.429 at 2.26e+07 assign (resid 2 and name HG1# ) (resid 3 and name HN ) 3.0 1.2 1.2 ! A.423 at 6.87e+06 assign (resid 2 and name HG2# ) (resid 3 and name HN ) 3.0 1.2 0.9 ! A.424 at 5.52e+06 assign (resid 2 and name HG1# ) (resid 4 and name HE21 ) 4.0 2.2 1.5 ! A.557 at 1.62e+06 assign (resid 2 and name HG1# ) (resid 4 and name HE22 ) 4.0 2.2 2.5 ! A.556 at 1.72e+06 assign (resid 2 and name HG2# ) (resid 4 and name HE21 ) 4.0 2.2 0.7 ! B.365 at 1.28e+07 assign (resid 2 and name HG2# ) (resid 4 and name HE22 ) 4.0 2.2 1.5 ! A.559 at 1.70e+06 assign (resid 2 and name HG2# ) (resid 4 and name HG2 ) 3.0 1.2 1.0 ! B.547 at 9.25e+07 ! N3 assign (resid 3 and name HA ) (resid 3 and name HB# ) 2.5 0.7 0.6 ! assign (resid 3 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.7 ! assign (resid 3 and name HB# ) (resid 3 and name HN ) 3.0 1.2 0.9 ! A.427 at 1.29e+07 assign (resid 3 and name HB# ) (resid 3 and name HD21 ) 3.0 1.2 0.7 ! A.576 at 5.76e+06 assign (resid 3 and name HB# ) (resid 3 and name HD22 ) 3.0 1.2 1.5 ! A.575 at 3.98e+06 assign (resid 3 and name HA ) (resid 4 and name HG2 ) 4.0 2.2 1.0 ! B.357 at 5.33e+07 assign (resid 3 and name HB# ) (resid 48 and name HG2# ) 4.0 2.2 1.2 ! B.119 at 1.05e+08 assign (resid 3 and name HA ) (resid 48 and name HG2# ) 4.0 2.2 1.5 ! B.306 at 7.10e+07 ! Q4 assign (resid 4 and name HA ) (resid 4 and name HB2 ) 3.0 1.2 0.5 ! A.22 at -1.81e+06 assign (resid 4 and name HA ) (resid 4 and name HB1 ) 2.5 0.7 0.3 ! A.26 at -2.32e+06 assign (resid 4 and name HA ) (resid 4 and name HN ) 3.0 1.2 0.2 ! B.17 at 1.78e+06 assign (resid 4 and name HB2 ) (resid 4 and name HE21 ) 4.0 2.2 1.0 ! A.563 at 1.44e+06 assign (resid 4 and name HB1 ) (resid 4 and name HE21 ) 4.0 2.2 1.0 ! A.564 at 1.66e+06 assign (resid 4 and name HB1 ) (resid 4 and name HE22 ) 4.0 2.2 1.0 ! A.565 at 1.03e+06 assign (resid 4 and name HB2 ) (resid 4 and name HE22 ) 4.0 2.2 1.0 ! A.562 at 1.14e+06 assign (resid 4 and name HG1 ) (resid 4 and name HE22 ) 4.0 2.2 1.0 ! A.561 at 1.17e+06 assign (resid 4 and name HG2 ) (resid 4 and name HE21 ) 4.0 2.2 1.0 ! A.560 at 1.79e+06 assign (resid 4 and name HG1 ) (resid 4 and name HA ) 4.0 2.2 2.0 ! B.191 at 2.96e+07 assign (resid 4 and name HG2 ) (resid 4 and name HE22 ) 3.0 1.2 0.8 ! B.402 at 1.20e+08 assign (resid 4 and name HG1 ) (resid 4 and name HE21 ) 3.0 1.2 1.0 ! B.533 at 6.61e+07 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.376 at 1.28e+07 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 1.0 ! A.379 at 6.83e+06 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! A.378 at 9.67e+06 assign (resid 4 and name HG1 ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.382 at 1.60e+06 assign (resid 4 and name HG2 ) (resid 5 and name HN ) 4.0 2.2 2.0 ! B.53 at 2.33e+07 assign (resid 4 and name HA ) (resid 48 and name HG2# ) 4.0 2.2 1.5 ! B.309 at 5.09e+07 assign (resid 4 and name HA ) (resid 48 and name HD1# ) 3.0 1.2 1.0 ! B.310 at 1.01e+08 ! H5 assign (resid 5 and name HA ) (resid 5 and name HB1 ) 2.5 0.7 0.5 ! A.27 at -1.08e+06 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 3.0 1.2 0.3 ! A.22 at -9.81e+05 assign (resid 5 and name HA ) (resid 5 and name HN ) 3.0 1.2 0.2 ! B.11 at 3.03e+06 assign (resid 5 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 0.6 ! A.374 at 6.28e+06 assign (resid 5 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! A.375 at 4.27e+06 assign (resid 5 and name HB1 ) (resid 5 and name HE1 ) 4.0 2.2 1.0 ! B.418 at 7.35e+07 assign (resid 5 and name HB2 ) (resid 5 and name HE1 ) 4.0 2.2 1.0 ! B.419 at 4.05e+07 assign (resid 5 and name HE1 ) (resid 5 and name HN ) 4.0 2.2 1.5 ! A.372 at 2.62e+06 assign (resid 5 and name HN ) (resid 6 and name HN ) 3.0 1.2 1.5 ! A.442 at 9.29e+05 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.433 at 1.79e+06 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 3.0 1.2 1.2 ! A.432 at 1.91e+06 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.0 1.2 0.4 ! A.430 at 6.00e+06 assign (resid 5 and name HA ) (resid 6 and name HD1# ) 4.0 2.2 2.5 ! B.347 at 4.80e+07 !assign (resid 5 and name HB1 ) (resid 8 and name HN ) 4.0 2.2 1.0 ! B.6 at 4.26e+07 assign (resid 5 and name HB2 ) (resid 45 and name HA ) 4.0 2.2 1.0 ! B.243 at 3.84e+07 assign (resid 5 and name HB1 ) (resid 45 and name HA ) 4.0 2.2 2.0 ! B.245 at 2.41e+07 assign (resid 5 and name HB2 ) (resid 47 and name HA ) 4.0 2.2 2.0 ! B.197 at 2.36e+08 assign (resid 5 and name HN ) (resid 48 and name HD1# ) 4.0 2.2 1.5 ! A.380 at 2.14e+06 assign (resid 5 and name HN ) (resid 48 and name HG2# ) 4.0 2.2 1.8 ! A.381 at 1.86e+06 assign (resid 5 and name HD2 ) (resid 48 and name HG12 ) 4.0 2.2 1.0 ! B.56 at 4.05e+07 assign (resid 5 and name HD2 ) (resid 48 and name HD1# ) 4.0 2.2 0.8 ! B.57 at 6.90e+07 assign (resid 5 and name HD2 ) (resid 48 and name HG2# ) 4.0 2.2 1.5 ! B.58 at 3.56e+07 assign (resid 5 and name HA ) (resid 48 and name HG2# ) 4.0 2.2 1.0 ! B.307 at 1.24e+08 assign (resid 5 and name HA ) (resid 48 and name HD1# ) 4.0 2.2 1.5 ! B.341 at 4.39e+07 assign (resid 5 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! B.496 at 4.03e+07 ! L6 assign (resid 6 and name HA ) (resid 6 and name HB1 ) 2.5 0.7 0.5 ! B.28 at -1.09e+06 assign (resid 6 and name HA ) (resid 6 and name HB2 ) 3.0 1.2 0.5 ! B.33 at -8.79e+05 assign (resid 6 and name HA ) (resid 6 and name HG ) 4.0 2.2 1.0 ! B.560 at 3.76e+07 assign (resid 6 and name HA ) (resid 6 and name HD1# ) 4.0 2.2 1.5 ! B.557 at 3.92e+07 assign (resid 6 and name HA ) (resid 6 and name HN ) 3.0 1.2 0.4 ! A.440 at 5.32e+06 assign (resid 6 and name HG ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.437 at 1.32e+06 assign (resid 6 and name HD2# ) (resid 6 and name HN ) 4.0 2.2 1.5 ! A.443 at 2.65e+06 assign (resid 6 and name HB2 ) (resid 6 and name HN ) 3.0 1.2 1.0 ! A.436 at 2.16e+06 assign (resid 6 and name HB1 ) (resid 6 and name HN ) 3.0 1.2 1.0 ! A.434 at 2.84e+06 assign (resid 6 and name HD1# ) (resid 6 and name HN ) 3.0 1.2 1.5 ! A.435 at 1.98e+06 assign (resid 6 and name HD1# ) (resid 6 and name HB2 ) 3.0 1.2 0.7 ! B.241 at 1.15e+08 assign (resid 6 and name HD1# ) (resid 6 and name HB1 ) 3.0 1.2 0.7 ! B.290 at 3.00e+08 assign (resid 6 and name HN ) (resid 7 and name HN ) 3.0 1.2 1.5 ! A.444 at 9.09e+05 !assign (resid 6 and name HD2# ) (resid 7 and name HN ) 4.0 2.2 1.5 ! A.454 at 2.93e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.4 ! A.446 at 6.56e+06 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 1.0 ! A.453 at 1.03e+06 assign (resid 6 and name HB1 ) (resid 10 and name HN ) 4.0 2.2 1.6 ! A.482 at 5.09e+06 assign (resid 6 and name HB1 ) (resid 10 and name HB1 ) 4.0 2.2 1.0 ! B.121 at 5.91e+07 !assign (resid 6 and name HD2# ) (resid 10 and name HB2 ) 4.0 2.2 2.5 ! B.122 at 6.92e+07 assign (resid 6 and name HA ) (resid 10 and name HB1 ) 3.0 1.2 1.0 ! B.354 at 5.95e+07 assign (resid 6 and name HA ) (resid 10 and name HB2 ) 3.0 1.2 1.0 ! B.355 at 1.14e+08 assign (resid 6 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 1.0 ! A.243 at 2.11e+06 assign (resid 6 and name HG ) (resid 11 and name HD1# ) 3.0 1.2 1.5 ! B.103 at 8.04e+07 assign (resid 6 and name HB2 ) (resid 11 and name HD1# ) 3.0 1.2 1.0 ! B.113 at 2.63e+08 assign (resid 6 and name HD2# ) (resid 11 and name HA ) 3.0 1.2 0.5 ! B.126 at 6.96e+07 assign (resid 6 and name HD1# ) (resid 11 and name HA ) 4.0 2.2 1.5 ! B.142 at 5.68e+07 assign (resid 6 and name HB1 ) (resid 11 and name HA ) 2.5 0.7 0.2 ! B.162 at 1.98e+08 assign (resid 6 and name HG ) (resid 11 and name HA ) 3.0 1.2 0.5 ! B.184 at 3.34e+07 assign (resid 6 and name HB2 ) (resid 11 and name HA ) 3.0 1.2 1.0 ! B.185 at 4.24e+07 assign (resid 6 and name HB1 ) (resid 11 and name HB2 ) 2.5 0.7 0.2 ! B.237 at 1.92e+08 assign (resid 6 and name HD2# ) (resid 11 and name HD1# ) 3.0 1.2 0.8 ! B.283 at 2.47e+08 assign (resid 6 and name HG ) (resid 14 and name HN ) 4.0 2.2 0.6 ! A.626 at 4.11e+07 assign (resid 6 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 2.5 ! A.337 at 1.91e+06 assign (resid 6 and name HD1# ) (resid 14 and name HB# ) 3.0 1.2 1.5 ! B.107 at 2.98e+08 assign (resid 6 and name HD2# ) (resid 14 and name HB# ) 2.5 0.7 0.5 ! B.109 at 2.38e+08 assign (resid 6 and name HB1 ) (resid 14 and name HB# ) 4.0 2.2 1.0 ! B.110 at 1.83e+08 assign (resid 6 and name HD2# ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.358 at 8.23e+07 assign (resid 6 and name HD2# ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.343 at 3.62e+06 assign (resid 6 and name HN ) (resid 44 and name HA ) 3.0 1.2 1.2 ! A.441 at 3.06e+06 assign (resid 6 and name HB2 ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.97 at 1.38e+06 assign (resid 6 and name HB1 ) (resid 44 and name HB1 ) 3.0 1.2 1.0 ! B.89 at 7.31e+07 assign (resid 6 and name HB1 ) (resid 44 and name HB2 ) 3.0 1.2 1.0 ! B.123 at 8.84e+07 assign (resid 6 and name HN ) (resid 45 and name HA ) 3.0 1.2 0.5 ! A.431 at 3.23e+06 assign (resid 6 and name HN ) (resid 45 and name HB2 ) 4.0 2.2 1.0 ! A.438 at 8.14e+05 assign (resid 6 and name HB1 ) (resid 45 and name HB2 ) 3.0 1.2 1.7 ! B.168 at 3.12e+07 assign (resid 6 and name HB2 ) (resid 45 and name HN ) 3.0 1.2 1.3 ! B.462 at 1.18e+08 assign (resid 6 and name HN ) (resid 48 and name HA ) 4.0 2.2 0.6 ! A.439 at 6.00e+06 assign (resid 6 and name HB2 ) (resid 54 and name HD1# ) 4.0 2.2 1.0 ! B.112 at 2.35e+08 assign (resid 6 and name HD2# ) (resid 54 and name HD2# ) 4.0 2.2 1.0 ! B.284 at 2.47e+08 assign (resid 6 and name HD2# ) (resid 54 and name HD1# ) 2.5 0.7 1.2 ! B.286 at 2.47e+08 ! C7 assign (resid 7 and name HA ) (resid 7 and name HB1 ) 2.5 0.7 0.2 ! B.246 at 1.19e+06 !!!assign (resid 7 and name HA ) (resid 7 and name HB2 ) 3.0 1.2 0.5 ! B.247 at 1.04e+06 assign (resid 7 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.5 ! B.445 at 6.63e+05 assign (resid 7 and name HB1 ) (resid 7 and name HN ) 3.0 1.2 0.8 ! A.449 at 3.46e+06 assign (resid 7 and name HB2 ) (resid 7 and name HN ) 2.5 0.7 0.3 ! A.450 at 2.62e+06 assign (resid 7 and name HB1 ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.461 at 1.80e+06 assign (resid 7 and name HB2 ) (resid 8 and name HN ) 4.0 2.2 0.3 ! A.460 at 1.34e+06 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.456 at 4.32e+06 assign (resid 7 and name HA ) (resid 8 and name HA2 ) 4.0 2.2 2.0 ! B.249 at 2.61e+07 assign (resid 7 and name HN ) (resid 10 and name HB1 ) 3.0 1.2 0.5 ! A.452 at 3.46e+06 assign (resid 7 and name HN ) (resid 10 and name HB2 ) 4.0 2.2 1.0 ! A.448 at 2.34e+06 assign (resid 7 and name HA ) (resid 10 and name HB1 ) 3.0 1.2 1.2 ! B.244 at 1.02e+08 assign (resid 7 and name HN ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.236 at 1.16e+06 !!!assign (resid 7 and name HN ) (resid 45 and name HB2 ) 4.0 2.2 1.0 ! A.447 at 1.13e+06 assign (resid 7 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.117 at 2.92e+06 assign (resid 7 and name HA ) (resid 45 and name HB1 ) 3.0 1.2 1.0 ! B.246 at 3.46e+07 assign (resid 7 and name HA ) (resid 45 and name HB2 ) 2.5 0.7 0.2 ! B.248 at 3.93e+07 assign (resid 7 and name HB1 ) (resid 45 and name HB2 ) 3.0 1.2 1.3 ! B.331 at 6.84e+07 ! G8 assign (resid 8 and name HA2 ) (resid 8 and name HN ) 2.5 0.7 0.5 ! B.458 at 5.57e+05 assign (resid 8 and name HA1 ) (resid 8 and name HN ) 3.0 1.2 0.2 ! B.457 at 5.38e+05 assign (resid 8 and name HN ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.465 at 1.03e+06 assign (resid 8 and name HA1 ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.468 at 7.26e+06 assign (resid 8 and name HA2 ) (resid 9 and name HN ) 2.5 0.7 0.8 ! A.469 at 7.07e+06 assign (resid 8 and name HA2 ) (resid 9 and name HA ) 4.0 2.2 1.0 ! B.328 at 1.24e+08 assign (resid 8 and name HA1 ) (resid 10 and name HN ) 3.0 1.2 0.7 ! A.477 at 4.45e+06 assign (resid 8 and name HA2 ) (resid 11 and name HB2 ) 3.0 1.2 1.5 ! A.620 at 4.17e+07 assign (resid 8 and name HA2 ) (resid 12 and name HG2# ) 4.0 2.2 1.5 ! B.339 at 3.68e+07 assign (resid 8 and name HN ) (resid 41 and name HG1# ) 3.0 1.2 1.0 ! A.462 at 8.61e+06 assign (resid 8 and name HA2 ) (resid 41 and name HG1# ) 4.0 2.2 1.0 ! B.149 at 1.17e+08 assign (resid 8 and name HN ) (resid 45 and name HB2 ) 4.0 2.2 0.4 ! A.459 at 5.84e+06 ! S9 assign (resid 9 and name HB1 ) (resid 9 and name HN ) 3.0 1.2 1.0 ! A.471 at 2.87e+06 assign (resid 9 and name HB2 ) (resid 9 and name HN ) 3.0 1.2 0.5 ! A.467 at 3.14e+06 assign (resid 9 and name HN ) (resid 10 and name HN ) 3.0 1.2 1.0 ! A.464 at 1.77e+06 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.475 at 8.62e+06 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.6 ! A.480 at 4.16e+06 assign (resid 9 and name HN ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.463 at 1.17e+06 assign (resid 9 and name HA ) (resid 12 and name HG2# ) 3.0 1.2 1.0 ! B.90 at 1.67e+08 ! H10 assign (resid 10 and name HA ) (resid 10 and name HB1 ) 2.5 0.7 0.4 ! B.58 at 1.63e+06 assign (resid 10 and name HA ) (resid 10 and name HB2 ) 2.5 0.7 0.8 ! B.60 at 1.18e+06 assign (resid 10 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.5 ! B.478 at 2.04e+06 assign (resid 10 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.6 ! A.481 at 8.62e+06 assign (resid 10 and name HB1 ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.479 at 8.16e+06 assign (resid 10 and name HB2 ) (resid 10 and name HE1 ) 4.0 2.2 1.2 ! B.420 at 4.84e+07 assign (resid 10 and name HA ) (resid 10 and name HE1 ) 4.0 2.2 2.0 ! B.427 at 2.95e+07 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 1.0 ! A.241 at 1.57e+06 assign (resid 10 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 1.0 ! A.242 at 1.38e+06 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.0 1.2 0.3 ! A.237 at 2.55e+06 !!!!assign (resid 10 and name HN ) (resid 12 and name HG2# ) 3.0 1.2 1.0 ! B.215 at 6.14e+07 assign (resid 10 and name HA ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.319 at 1.53e+06 assign (resid 10 and name HA ) (resid 13 and name HB2 ) 2.5 0.7 0.9 ! B.178 at 1.03e+08 ! L11 assign (resid 11 and name HA ) (resid 11 and name HB1 ) 3.0 1.2 0.7 ! B.186 at 9.65e+05 assign (resid 11 and name HA ) (resid 11 and name HB2 ) 2.5 0.7 0.4 ! B.187 at 1.09e+06 assign (resid 11 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.5 ! A.240 at 2.44e+07 assign (resid 11 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.238 at 3.81e+06 assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.239 at 3.31e+06 assign (resid 11 and name HG ) (resid 11 and name HN ) 4.0 2.2 0.5 ! A.245 at 3.04e+06 assign (resid 11 and name HD1# ) (resid 11 and name HA ) 2.5 0.7 0.7 ! B.163 at 1.38e+08 assign (resid 11 and name HD2# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! B.386 at 1.10e+08 assign (resid 11 and name HN ) (resid 12 and name HG2# ) 4.0 2.2 1.5 ! A.244 at 1.59e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.304 at 9.13e+05 assign (resid 11 and name HD1# ) (resid 12 and name HN ) 4.0 2.2 1.5 ! A.311 at 1.14e+06 assign (resid 11 and name HG ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.310 at 1.17e+06 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.308 at 1.17e+06 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.0 1.2 0.2 ! A.306 at 2.76e+06 assign (resid 11 and name HD2# ) (resid 12 and name HN ) 4.0 2.2 1.2 ! B.391 at 2.53e+07 !!!!nassign (resid 11 and name HD1# ) (resid 13 and name HN ) 4.0 2.2 1.5 ! A.324 at 1.46e+06 assign (resid 11 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.330 at 2.02e+06 assign (resid 11 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 1.5 ! A.336 at 2.32e+06 assign (resid 11 and name HD1# ) (resid 14 and name HB# ) 4.0 2.2 1.0 ! B.108 at 2.21e+08 assign (resid 11 and name HA ) (resid 14 and name HB# ) 3.0 1.2 0.5 ! B.152 at 6.31e+07 assign (resid 11 and name HD1# ) (resid 15 and name HN ) 4.0 2.2 0.5 ! A.340 at 5.29e+06 assign (resid 11 and name HA ) (resid 15 and name HN ) 3.0 1.2 1.0 ! A.483 at 2.07e+06 assign (resid 11 and name HD1# ) (resid 15 and name HD2# ) 4.0 2.2 1.0 ! B.277 at 8.47e+08 assign (resid 11 and name HD1# ) (resid 15 and name HD1# ) 3.0 1.2 1.0 ! B.279 at 1.78e+08 assign (resid 11 and name HD2# ) (resid 15 and name HD1# ) 3.0 1.2 1.2 ! B.280 at 5.47e+08 assign (resid 11 and name HB2 ) (resid 15 and name HD1# ) 4.0 2.2 1.2 ! A.621 at 1.28e+08 assign (resid 11 and name HB1 ) (resid 24 and name HE2 ) 4.0 2.2 1.2 ! A.628 at 1.33e+08 assign (resid 11 and name HA ) (resid 26 and name HE1 ) 4.0 2.2 1.0 ! A.650 at 4.45e+07 assign (resid 11 and name HB2 ) (resid 26 and name HE1 ) 3.0 1.2 1.0 ! B.379 at 8.92e+07 assign (resid 11 and name HD2# ) (resid 26 and name HE1 ) 3.0 1.2 0.8 ! B.381 at 6.56e+07 assign (resid 11 and name HG ) (resid 26 and name HE1 ) 3.0 1.2 0.5 ! B.396 at 8.60e+07 assign (resid 11 and name HB1 ) (resid 26 and name HE1 ) 2.5 0.7 0.2 ! B.424 at 1.19e+08 assign (resid 11 and name HB1 ) (resid 26 and name HD1 ) 4.0 2.2 1.0 ! B.536 at 1.08e+08 assign (resid 11 and name HD2# ) (resid 40 and name HA ) 4.0 2.2 1.0 ! B.169 at 3.91e+07 assign (resid 11 and name HD2# ) (resid 40 and name HD1# ) 2.5 0.7 1.0 ! B.282 at 2.71e+08 assign (resid 11 and name HD2# ) (resid 40 and name HG2# ) 3.0 1.2 1.0 ! B.285 at 6.71e+08 assign (resid 11 and name HD1# ) (resid 40 and name HD1# ) 3.0 1.2 1.0 ! B.294 at 2.51e+08 assign (resid 11 and name HD2# ) (resid 41 and name HA ) 3.0 1.2 0.7 ! B.157 at 1.35e+08 assign (resid 11 and name HD2# ) (resid 41 and name HG1# ) 4.0 2.2 1.5 ! B.235 at 7.59e+08 !!!assign (resid 11 and name HD2# ) (resid 45 and name HN ) 4.0 2.2 1.5 ! A.107 at 1.29e+06 assign (resid 11 and name HD2# ) (resid 44 and name HB2 ) 3.0 1.2 0.8 ! A.614 at 7.31e+07 assign (resid 11 and name HD1# ) (resid 44 and name HB1 ) 3.0 1.2 0.8 ! A.617 at 7.31e+07 assign (resid 11 and name HD1# ) (resid 54 and name HA ) 4.0 2.2 1.0 ! B.134 at 8.80e+07 assign (resid 11 and name HD1# ) (resid 54 and name HD1# ) 4.0 2.2 0.5 ! B.275 at 2.41e+08 assign (resid 11 and name HD1# ) (resid 54 and name HD2# ) 2.5 0.7 1.0 ! B.288 at 2.96e+08 ! V12 assign (resid 12 and name HA ) (resid 12 and name HB ) 2.5 0.7 0.7 ! B.93 at 1.04e+06 assign (resid 12 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.303 at 1.37e+06 assign (resid 12 and name HG2# ) (resid 12 and name HN ) 3.0 1.2 0.3 ! A.312 at 4.23e+06 assign (resid 12 and name HG1# ) (resid 12 and name HN ) 3.0 1.2 1.5 ! A.313 at 3.60e+06 assign (resid 12 and name HB ) (resid 12 and name HN ) 2.5 0.7 0.7 ! A.305 at 2.97e+06 assign (resid 12 and name HG2# ) (resid 12 and name HA ) 2.5 0.7 0.7 ! B.86 at 1.36e+08 assign (resid 12 and name HG1# ) (resid 12 and name HA ) 2.5 0.7 0.8 ! B.87 at 2.98e+08 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.317 at 1.65e+06 assign (resid 12 and name HG1# ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.326 at 3.49e+06 assign (resid 12 and name HG2# ) (resid 13 and name HN ) 3.0 1.2 1.3 ! A.325 at 3.61e+06 assign (resid 12 and name HB ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.321 at 4.69e+06 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.315 at 2.69e+06 assign (resid 12 and name HG1# ) (resid 13 and name HA ) 4.0 2.2 1.0 ! B.116 at 7.07e+07 assign (resid 12 and name HG2# ) (resid 14 and name HN ) 4.0 2.2 2.0 ! A.335 at 3.59e+06 assign (resid 12 and name HG1# ) (resid 14 and name HN ) 4.0 2.2 1.5 ! B.361 at 3.58e+07 assign (resid 12 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.347 at 4.04e+06 assign (resid 12 and name HA ) (resid 15 and name HD1# ) 3.0 1.2 1.0 ! B.88 at 2.98e+08 assign (resid 12 and name HA ) (resid 15 and name HB2 ) 4.0 2.2 1.0 ! B.94 at 3.33e+07 assign (resid 12 and name HA ) (resid 15 and name HB1 ) 4.0 2.2 1.0 ! B.300 at 3.87e+07 assign (resid 12 and name HA ) (resid 16 and name HN ) 3.0 1.2 1.0 ! A.358 at 7.64e+06 assign (resid 12 and name HG1# ) (resid 16 and name HB2 ) 3.0 1.2 1.0 ! B.91 at 8.70e+07 assign (resid 12 and name HG2# ) (resid 24 and name HE2 ) 2.5 0.7 0.7 ! B.207 at 1.89e+08 assign (resid 12 and name HA ) (resid 24 and name HZ ) 2.5 0.7 0.7 ! B.648 at 3.09e+07 assign (resid 12 and name HG1# ) (resid 24 and name HZ ) 2.5 0.7 0.7 ! B.397 at 3.14e+08 assign (resid 12 and name HG2# ) (resid 24 and name HZ ) 3.0 1.2 0.5 ! B.398 at 1.46e+08 assign (resid 12 and name HB ) (resid 24 and name HZ ) 3.0 1.2 1.3 ! B.425 at 7.96e+07 assign (resid 12 and name HG2# ) (resid 26 and name HE1 ) 3.0 1.2 1.0 ! B.383 at 6.10e+07 ! E13 assign (resid 13 and name HA ) (resid 13 and name HB1 ) 2.5 0.7 0.8 ! B.182 at 4.01e+06 assign (resid 13 and name HA ) (resid 13 and name HB2 ) 2.5 0.7 0.8 ! B.183 at 4.01e+06 assign (resid 13 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.5 ! A.318 at 3.59e+06 assign (resid 13 and name HG1 ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.320 at 4.86e+06 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 3.0 1.2 0.8 ! A.323 at 6.82e+06 assign (resid 13 and name HB2 ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.322 at 6.82e+06 assign (resid 13 and name HG1 ) (resid 13 and name HA ) 2.5 0.7 0.2 ! A.610 at 1.08e+08 assign (resid 13 and name HG1 ) (resid 14 and name HN ) 4.0 2.2 0.3 ! A.334 at 1.23e+06 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.8 ! A.329 at 2.08e+06 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 2.5 0.7 0.5 ! A.333 at 3.99e+06 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 3.0 1.2 1.0 ! A.332 at 3.99e+06 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.2 ! A.316 at 4.35e+06 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.0 1.2 1.0 ! A.485 at 4.35e+06 assign (resid 13 and name HA ) (resid 16 and name HB2 ) 3.0 1.2 1.0 ! B.330 at 5.36e+07 ! A14 assign (resid 14 and name HA ) (resid 14 and name HB ) 2.5 0.7 0.3 ! B.155 at 6.17e+06 assign (resid 14 and name HA ) (resid 14 and name HN ) 2.5 0.7 0.5 ! A.328 at 3.02e+06 assign (resid 14 and name HB# ) (resid 14 and name HN ) 2.5 0.7 0.9 ! A.331 at 8.76e+06 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.5 ! A.327 at 4.02e+06 assign (resid 14 and name HB# ) (resid 15 and name HN ) 3.0 1.2 0.4 ! A.350 at 3.32e+06 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 1.0 ! A.349 at 1.58e+06 assign (resid 14 and name HA ) (resid 17 and name HB2 ) 2.5 0.7 0.9 ! B.606 at 9.16e+07 assign (resid 14 and name HA ) (resid 17 and name HD1# ) 3.0 1.2 0.3 ! B.143 at 6.94e+07 assign (resid 14 and name HA ) (resid 17 and name HD2# ) 4.0 2.2 1.0 ! B.315 at 7.65e+07 assign (resid 14 and name HN ) (resid 17 and name HD1# ) 4.0 2.2 1.2 ! B.360 at 3.70e+07 assign (resid 14 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.5 ! B.494 at 7.75e+07 assign (resid 14 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.166 at 1.24e+06 assign (resid 14 and name HB# ) (resid 54 and name HD1# ) 3.0 1.2 1.0 ! B.106 at 1.63e+08 ! L15 assign (resid 15 and name HA ) (resid 15 and name HB2 ) 3.0 1.2 0.5 ! B.93 at 7.21e+07 assign (resid 15 and name HA ) (resid 15 and name HN ) 2.5 0.7 0.5 ! A.348 at 4.46e+06 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 3.0 1.2 1.0 ! A.338 at 1.92e+06 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 0.5 ! A.341 at 5.29e+06 assign (resid 15 and name HG ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.346 at 4.14e+06 assign (resid 15 and name HD1# ) (resid 15 and name HN ) 4.0 2.2 0.5 ! A.339 at 2.74e+06 assign (resid 15 and name HD2# ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.344 at 5.29e+06 assign (resid 15 and name HB2 ) (resid 15 and name HD2# ) 3.0 1.2 0.8 ! B.95 at 8.61e+07 assign (resid 15 and name HB2 ) (resid 15 and name HD1# ) 2.5 0.7 0.7 ! B.96 at 1.09e+08 assign (resid 15 and name HD1# ) (resid 15 and name HA ) 4.0 2.2 1.0 ! B.117 at 1.23e+08 assign (resid 15 and name HD2# ) (resid 15 and name HA ) 3.0 1.2 0.7 ! B.127 at 3.38e+08 assign (resid 15 and name HG ) (resid 15 and name HA ) 2.5 0.7 0.5 ! B.598 at 4.06e+07 assign (resid 15 and name HG ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.357 at 2.29e+06 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.0 1.2 0.8 ! A.355 at 4.81e+06 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 2.5 0.7 0.5 ! A.354 at 7.64e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.353 at 6.62e+06 assign (resid 15 and name HB1 ) (resid 17 and name HN ) 4.0 2.2 2.0 ! A.365 at 1.24e+06 assign (resid 15 and name HN ) (resid 17 and name HD1# ) 4.0 2.2 1.8 ! A.345 at 2.48e+06 assign (resid 15 and name HA ) (resid 18 and name HB ) 2.5 0.7 0.2 ! B.597 at 1.59e+08 assign (resid 15 and name HA ) (resid 18 and name HG1# ) 3.0 1.2 1.3 ! B.612 at 3.68e+08 assign (resid 15 and name HA ) (resid 18 and name HN ) 3.0 1.2 1.0 ! A.165 at 1.41e+06 assign (resid 15 and name HA ) (resid 18 and name HG2# ) 2.5 0.7 1.0 ! B.156 at 1.20e+08 assign (resid 15 and name HD2# ) (resid 18 and name HG1# ) 4.0 2.2 1.5 ! B.234 at 3.00e+08 assign (resid 15 and name HD2# ) (resid 18 and name HB ) 3.0 1.2 1.5 ! B.272 at 7.86e+07 assign (resid 15 and name HA ) (resid 18 and name HG1# ) 4.0 2.2 0.7 ! B.302 at 2.98e+08 assign (resid 15 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.489 at 4.80e+06 assign (resid 15 and name HB2 ) (resid 24 and name HE2 ) 3.0 1.2 1.0 ! B.205 at 5.06e+07 assign (resid 15 and name HB2 ) (resid 24 and name HE1 ) 3.0 1.2 1.0 ! B.206 at 5.06e+07 assign (resid 15 and name HD1# ) (resid 24 and name HE2 ) 3.0 1.2 0.7 ! B.208 at 3.20e+08 assign (resid 15 and name HD2# ) (resid 24 and name HE2 ) 4.0 2.2 1.8 ! B.209 at 7.66e+07 assign (resid 15 and name HB1 ) (resid 24 and name HE1 ) 3.0 1.2 1.0 ! B.210 at 4.49e+07 assign (resid 15 and name HB1 ) (resid 24 and name HD1 ) 3.0 1.2 0.8 ! B.385 at 1.10e+08 assign (resid 15 and name HD2# ) (resid 24 and name HD2 ) 4.0 2.2 1.0 ! B.387 at 1.76e+08 assign (resid 15 and name HD1# ) (resid 24 and name HD2 ) 3.0 1.2 0.8 ! B.390 at 2.75e+08 assign (resid 15 and name HB1 ) (resid 24 and name HZ ) 4.0 2.2 0.3 ! B.399 at 3.29e+07 assign (resid 15 and name HG ) (resid 24 and name HZ ) 4.0 2.2 1.8 ! B.400 at 3.26e+07 assign (resid 15 and name HB2 ) (resid 24 and name HZ ) 3.0 1.2 0.2 ! B.640 at 3.46e+07 !!!!assign (resid 15 and name HD1# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.387 at 1.16e+06 assign (resid 15 and name HD1# ) (resid 26 and name HE1 ) 3.0 1.2 1.0 ! B.382 at 1.90e+08 assign (resid 15 and name HD2# ) (resid 40 and name HD1# ) 4.0 2.2 1.2 ! B.240 at 5.70e+08 assign (resid 15 and name HN ) (resid 54 and name HD1# ) 4.0 2.2 1.0 ! A.342 at 3.69e+06 assign (resid 15 and name HD2# ) (resid 54 and name HB1 ) 2.5 0.7 0.7 ! B.102 at 3.40e+07 assign (resid 15 and name HD2# ) (resid 54 and name HA ) 3.0 1.2 0.5 ! B.348 at 8.18e+07 assign (resid 15 and name HD1# ) (resid 54 and name HD2# ) 4.0 2.2 0.3 ! B.239 at 1.48e+08 assign (resid 15 and name HD2# ) (resid 57 and name HB2 ) 3.0 1.2 0.3 ! B.124 at 8.84e+07 assign (resid 15 and name HD2# ) (resid 57 and name HN ) 4.0 2.2 0.5 ! B.225 at 4.78e+07 assign (resid 15 and name HD2# ) (resid 57 and name HB1 ) 3.0 1.2 1.8 ! B.338 at 2.90e+08 assign (resid 15 and name HD2# ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.282 at 1.27e+06 ! Y16 assign (resid 16 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.5 ! A.352 at 3.59e+06 assign (resid 16 and name HB2 ) (resid 16 and name HN ) 2.5 0.7 0.5 ! A.351 at 4.92e+06 assign (resid 16 and name HE1 ) (resid 16 and name HB2 ) 4.0 2.2 1.5 ! B.251 at 5.33e+07 assign (resid 16 and name HA ) (resid 16 and name HD2 ) 2.5 0.7 0.2 ! B.528 at 9.04e+07 assign (resid 16 and name HB2 ) (resid 17 and name HN ) 3.0 1.2 1.0 ! A.370 at 1.14e+06 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.8 ! A.369 at 1.42e+06 assign (resid 16 and name HN ) (resid 17 and name HD1# ) 4.0 2.2 0.5 ! A.356 at 2.62e+06 assign (resid 16 and name HD1 ) (resid 17 and name HD1# ) 4.0 2.2 1.5 ! B.366 at 5.34e+07 assign (resid 16 and name HE1 ) (resid 17 and name HD1# ) 3.0 1.2 1.0 ! B.392 at 1.69e+08 assign (resid 16 and name HD1 ) (resid 17 and name HG ) 3.0 1.2 1.0 ! B.530 at 1.01e+08 assign (resid 16 and name HN ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.500 at 1.58e+06 assign (resid 16 and name HA ) (resid 19 and name HB2 ) 3.0 1.2 0.5 ! assign (resid 16 and name HA ) (resid 20 and name HN ) 4.0 2.2 2.0 ! A.507 at 9.17e+05 assign (resid 16 and name HB2 ) (resid 20 and name HN ) 4.0 2.2 2.2 ! B.417 at 3.72e+07 assign (resid 16 and name HN ) (resid 24 and name HE1 ) 3.0 1.2 0.5 ! A.359 at 4.35e+06 assign (resid 16 and name HA ) (resid 24 and name HE1 ) 2.5 0.7 0.2 ! B.64 at 2.01e+08 assign (resid 16 and name HB1 ) (resid 24 and name HE1 ) 3.0 1.2 1.0 ! B.637 at 2.98e+07 assign (resid 16 and name HB2 ) (resid 24 and name HE1 ) 2.5 0.7 0.7 ! B.252 at 2.63e+08 assign (resid 16 and name HB2 ) (resid 24 and name HZ ) 3.0 1.2 1.0 ! B.253 at 1.10e+08 assign (resid 16 and name HA ) (resid 24 and name HZ ) 3.0 1.2 1.5 ! B.477 at 1.62e+08 assign (resid 16 and name HN ) (resid 24 and name HZ ) 3.0 1.2 1.0 ! B.504 at 6.15e+07 assign (resid 16 and name HB1 ) (resid 24 and name HZ ) 4.0 2.2 1.5 ! B.516 at 1.86e+08 assign (resid 16 and name HA ) (resid 24 and name HD1 ) 3.0 1.2 0.5 ! B.527 at 1.35e+08 ! L17 assign (resid 17 and name HA ) (resid 17 and name HB1 ) 2.5 0.7 0.8 ! B.123 at 2.02e+06 assign (resid 17 and name HA ) (resid 17 and name HB2 ) 2.5 0.7 0.8 ! B.127 at 2.08e+06 assign (resid 17 and name HA ) (resid 17 and name HN ) 2.5 0.7 0.7 ! A.368 at 2.11e+06 assign (resid 17 and name HG ) (resid 17 and name HN ) 3.0 1.2 1.0 ! A.361 at 1.87e+06 assign (resid 17 and name HB1 ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.363 at 4.29e+06 assign (resid 17 and name HB2 ) (resid 17 and name HN ) 2.5 0.7 0.5 ! A.362 at 4.60e+06 assign (resid 17 and name HD2# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.367 at 2.27e+06 assign (resid 17 and name HD1# ) (resid 17 and name HN ) 2.5 0.7 0.7 ! A.364 at 2.37e+06 assign (resid 17 and name HD1# ) (resid 17 and name HA ) 3.0 1.2 1.0 ! B.144 at 3.78e+08 assign (resid 17 and name HD2# ) (resid 17 and name HA ) 4.0 2.2 0.5 ! B.145 at 3.78e+08 assign (resid 17 and name HG ) (resid 17 and name HA ) 2.5 0.7 0.2 ! B.183 at 1.49e+08 assign (resid 17 and name HN ) (resid 18 and name HG2# ) 4.0 2.2 1.5 ! A.366 at 2.02e+06 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.360 at 1.41e+06 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.168 at 4.77e+06 assign (resid 17 and name HD1# ) (resid 18 and name HN ) 4.0 2.2 0.5 ! A.158 at 8.03e+06 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.0 1.2 0.3 ! A.164 at 4.95e+06 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.162 at 4.95e+06 assign (resid 17 and name HG ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.161 at 2.00e+06 assign (resid 17 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.497 at 4.34e+06 assign (resid 17 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.5 ! A.506 at 9.05e+06 ! V18 assign (resid 18 and name HA ) (resid 18 and name HB ) 2.5 0.7 0.8 ! B.147 at 3.09e+06 assign (resid 18 and name HA ) (resid 18 and name HN ) 2.5 0.7 0.5 ! A.167 at 5.40e+06 assign (resid 18 and name HG1# ) (resid 18 and name HN ) 3.0 1.2 1.5 ! A.157 at 5.00e+06 assign (resid 18 and name HG2# ) (resid 18 and name HN ) 2.5 0.7 0.9 ! A.160 at 6.45e+06 assign (resid 18 and name HB ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.163 at 6.19e+06 assign (resid 18 and name HG1# ) (resid 18 and name HA ) 2.5 0.7 0.5 ! B.147 at 3.42e+08 assign (resid 18 and name HG2# ) (resid 18 and name HA ) 2.5 0.7 0.7 ! B.148 at 3.27e+08 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.6 ! A.496 at 4.28e+06 assign (resid 18 and name HB ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.488 at 5.94e+06 assign (resid 18 and name HG1# ) (resid 19 and name HN ) 3.0 1.2 1.0 ! A.487 at 5.62e+06 assign (resid 18 and name HG2# ) (resid 19 and name HN ) 3.0 1.2 1.5 ! A.486 at 4.60e+06 assign (resid 18 and name HB ) (resid 20 and name HN ) 4.0 2.2 0.5 ! A.510 at 1.16e+06 assign (resid 18 and name HN ) (resid 20 and name HN ) 3.0 1.2 1.0 ! A.501 at 3.78e+06 assign (resid 18 and name HG2# ) (resid 51 and name HA ) 3.0 1.2 1.3 ! B.166 at 5.30e+07 assign (resid 18 and name HG1# ) (resid 51 and name HA ) 4.0 2.2 1.0 ! B.170 at 2.97e+07 assign (resid 18 and name HG2# ) (resid 51 and name HD2# ) 3.0 1.2 1.0 ! B.287 at 2.47e+08 assign (resid 18 and name HG2# ) (resid 54 and name HB1 ) 3.0 1.2 0.7 ! B.104 at 1.02e+08 assign (resid 18 and name HG1# ) (resid 54 and name HB1 ) 3.0 1.2 1.0 ! B.105 at 1.04e+08 assign (resid 18 and name HG1# ) (resid 54 and name HA ) 4.0 2.2 1.3 ! B.137 at 4.10e+07 assign (resid 18 and name HG2# ) (resid 54 and name HD1# ) 3.0 1.2 1.0 ! B.276 at 2.49e+08 assign (resid 18 and name HG2# ) (resid 55 and name HN ) 4.0 2.2 1.5 ! A.254 at 2.81e+06 assign (resid 18 and name HG1# ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.231 at 6.11e+07 ! C19 assign (resid 19 and name HA ) (resid 19 and name HB1 ) 2.5 0.7 0.3 ! B.71 at 1.04e+07 assign (resid 19 and name HA ) (resid 19 and name HB2 ) 2.5 0.7 0.6 ! B.73 at 1.64e+07 assign (resid 19 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.3 ! A.490 at 4.91e+06 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.494 at 4.80e+06 assign (resid 19 and name HB2 ) (resid 19 and name HN ) 2.5 0.7 0.2 ! A.493 at 5.87e+06 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 1.0 ! A.503 at 1.28e+06 assign (resid 19 and name HN ) (resid 20 and name HN ) 2.5 0.7 0.5 ! A.498 at 4.31e+06 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 0.5 ! A.509 at 8.82e+05 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 2.5 0.7 0.6 ! A.508 at 1.16e+06 assign (resid 19 and name HA ) (resid 22 and name HN ) 4.0 2.2 0.5 ! A.412 at 1.17e+06 assign (resid 19 and name HB2 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.422 at 3.36e+06 assign (resid 19 and name HB2 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.521 at 8.45e+05 assign (resid 19 and name HB1 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.518 at 1.59e+06 assign (resid 19 and name HB2 ) (resid 24 and name HD1 ) 3.0 1.2 0.2 ! B.639 at 2.63e+07 assign (resid 19 and name HN ) (resid 24 and name HE1 ) 4.0 2.2 1.4 ! A.499 at 1.32e+06 assign (resid 19 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.529 at 1.22e+06 assign (resid 19 and name HN ) (resid 58 and name HB1 ) 4.0 2.2 0.8 ! A.495 at 9.98e+05 assign (resid 19 and name HA ) (resid 58 and name HB1 ) 2.5 0.7 0.2 assign (resid 19 and name HA ) (resid 58 and name HB2 ) 3.0 1.2 0.5 ! B.250 at 3.73e+07 assign (resid 19 and name HB1 ) (resid 58 and name HA ) 2.5 0.7 0.3 ! B.255 at 7.47e+07 assign (resid 19 and name HB1 ) (resid 58 and name HB1 ) 2.5 0.7 0.2 ! B.255 at 7.47e+07 assign (resid 19 and name HB1 ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.296 at 2.60e+06 ! G20 assign (resid 20 and name HA2 ) (resid 20 and name HN ) 2.5 0.7 0.4 ! A.505 at 9.04e+06 assign (resid 20 and name HA1 ) (resid 20 and name HN ) 2.5 0.7 0.4 ! A.504 at 9.94e+06 assign (resid 20 and name HN ) (resid 21 and name HN ) 4.0 2.2 0.7 ! A.402 at 9.80e+05 assign (resid 20 and name HA1 ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.403 at 8.40e+06 assign (resid 20 and name HA2 ) (resid 21 and name HN ) 2.5 0.7 0.9 ! A.405 at 7.30e+06 assign (resid 20 and name HA2 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.413 at 2.86e+06 ! E21 assign (resid 21 and name HA ) (resid 21 and name HB1 ) 2.5 0.7 0.3 ! B.20 at 4.47e+06 assign (resid 21 and name HA ) (resid 21 and name HB2 ) 2.5 0.7 0.7 ! B.19 at 3.61e+06 assign (resid 21 and name HA ) (resid 21 and name HG1 ) 2.5 0.7 0.5 ! B.18 at 1.90e+06 assign (resid 21 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.5 ! B.17 at 5.03e+06 assign (resid 21 and name HG2 ) (resid 21 and name HN ) 3.0 1.2 1.0 ! A.409 at 2.79e+06 assign (resid 21 and name HG1 ) (resid 21 and name HN ) 2.5 0.7 0.5 ! A.406 at 3.49e+06 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 2.5 0.7 0.5 ! A.408 at 4.40e+06 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 3.0 1.2 0.8 ! A.407 at 3.39e+06 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.3 ! A.401 at 2.94e+06 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 2.5 0.7 1.0 ! A.419 at 9.83e+06 assign (resid 21 and name HG1 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.416 at 1.36e+06 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.0 1.2 0.8 ! A.415 at 5.20e+06 assign (resid 21 and name HB2 ) (resid 23 and name HN ) 4.0 2.2 1.3 ! A.520 at 2.93e+06 assign (resid 21 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.8 ! A.517 at 3.10e+06 ! R22 assign (resid 22 and name HA ) (resid 22 and name HB1 ) 2.5 0.7 0.3 ! B.193 at 1.49e+06 assign (resid 22 and name HA ) (resid 22 and name HB2 ) 3.0 1.2 0.3 ! B.194 at 1.18e+06 assign (resid 22 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.4 ! A.414 at 6.46e+06 assign (resid 22 and name HA ) (resid 22 and name HG2 ) 2.5 0.7 0.4 ! B.195 at 4.96e+07 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.0 1.2 0.8 ! A.420 at 9.53e+06 assign (resid 22 and name HG1 ) (resid 22 and name HN ) 3.0 1.2 0.4 ! A.421 at 7.57e+06 assign (resid 22 and name HG2 ) (resid 22 and name HN ) 3.0 1.2 0.6 ! A.417 at 5.65e+06 assign (resid 22 and name HD# ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.438 at 4.04e+07 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.0 1.2 0.3 ! A.411 at 4.72e+06 assign (resid 22 and name HG2 ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.523 at 2.29e+06 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 3.0 1.2 0.3 ! A.524 at 2.93e+06 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 1.2 1.2 ! A.515 at 3.10e+06 assign (resid 22 and name HB2 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.301 at 1.71e+06 assign (resid 22 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.609 at 1.84e+06 !assign (resid 22 and name HG2 ) (resid 59 and name HN ) 4.0 2.2 2.0 ! A.610 at 1.02e+06 ! G23 assign (resid 23 and name HA2 ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.516 at 4.69e+06 assign (resid 23 and name HA1 ) (resid 23 and name HN ) 3.0 1.2 0.4 ! A.514 at 3.73e+06 assign (resid 23 and name HA1 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.531 at 3.64e+06 assign (resid 23 and name HA2 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.398 at 3.74e+06 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.0 2.2 0.5 ! A.392 at 1.31e+06 assign (resid 23 and name HN ) (resid 24 and name HD1 ) 4.0 2.2 0.3 ! A.513 at 1.05e+06 assign (resid 23 and name HA2 ) (resid 24 and name HD1 ) 3.0 1.2 0.5 ! B.61 at 5.37e+07 assign (resid 23 and name HA2 ) (resid 24 and name HE1 ) 4.0 2.2 1.0 ! B.66 at 1.31e+07 assign (resid 23 and name HA2 ) (resid 24 and name HA ) 4.0 2.2 0.8 ! B.258 at 1.03e+07 assign (resid 23 and name HN ) (resid 58 and name HB2 ) 4.0 2.2 2.0 ! A.522 at 1.02e+06 ! F24 assign (resid 24 and name HA ) (resid 24 and name HB1 ) 2.5 0.7 0.3 ! B.604 at 1.10e+06 assign (resid 24 and name HA ) (resid 24 and name HB2 ) 2.5 0.7 0.3 ! B.202 at 1.30e+06 assign (resid 24 and name HA ) (resid 24 and name HN ) 3.0 1.2 0.2 ! A.399 at 1.08e+06 assign (resid 24 and name HB1 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.530 at 3.74e+06 assign (resid 24 and name HB2 ) (resid 24 and name HN ) 3.0 1.2 1.2 ! A.526 at 1.16e+06 assign (resid 24 and name HD1 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.394 at 2.22e+06 assign (resid 24 and name HE1 ) (resid 24 and name HN ) 3.0 1.2 1.0 ! A.393 at 1.83e+06 assign (resid 24 and name HA ) (resid 24 and name HD1 ) 3.0 1.2 0.8 ! B.633 at 6.02e+07 assign (resid 24 and name HB1 ) (resid 24 and name HD1 ) 2.5 0.7 0.2 ! B.643 at 1.57e+08 assign (resid 24 and name HB2 ) (resid 24 and name HD2 ) 2.5 0.7 0.2 ! B.644 at 2.58e+08 assign (resid 24 and name HB2 ) (resid 24 and name HD1 ) 3.0 1.2 0.8 ! B.645 at 2.58e+08 assign (resid 24 and name HB1 ) (resid 24 and name HD2 ) 3.0 1.2 0.8 ! B.646 at 1.57e+08 assign (resid 24 and name HA ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.146 at 5.61e+06 assign (resid 24 and name HN ) (resid 25 and name HA ) 4.0 2.2 1.0 ! A.400 at 1.03e+06 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.0 1.2 1.5 ! B.41 at 4.70e+07 assign (resid 24 and name HA ) (resid 25 and name HD2 ) 3.0 1.2 1.2 ! B.70 at 6.02e+07 assign (resid 24 and name HA ) (resid 25 and name HB1 ) 3.0 1.2 1.2 ! B.256 at 1.48e+08 assign (resid 24 and name HD2 ) (resid 26 and name HN ) 4.0 2.2 0.5 ! A.388 at 1.34e+06 assign (resid 24 and name HD2 ) (resid 26 and name HA ) 3.0 1.2 1.5 ! B.60 at 1.25e+08 assign (resid 24 and name HE2 ) (resid 26 and name HA ) 3.0 1.2 1.0 ! B.635 at 1.08e+08 assign (resid 24 and name HE2 ) (resid 26 and name HB# ) 3.0 1.2 0.8 ! B.649 at 5.80e+07 assign (resid 24 and name HD2 ) (resid 57 and name HB1 ) 3.0 1.2 1.3 ! B.638 at 6.15e+07 assign (resid 24 and name HB2 ) (resid 57 and name HD2 ) 4.0 2.2 0.7 ! B.647 at 3.72e+07 assign (resid 24 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.2 ! A.617 at 4.40e+06 assign (resid 24 and name HB2 ) (resid 57 and name HB1 ) 3.0 1.2 0.3 ! assign (resid 24 and name HB1 ) (resid 57 and name HB2 ) 3.0 1.2 0.5 ! assign (resid 24 and name HB1 ) (resid 58 and name HB1 ) 4.0 2.2 0.5 ! assign (resid 24 and name HN ) (resid 58 and name HA ) 4.0 2.2 1.0 ! B.631 at 5.03e+07 assign (resid 24 and name HA ) (resid 58 and name HN ) 4.0 2.2 0.5 ! B.632 at 5.12e+07 assign (resid 24 and name HD1 ) (resid 58 and name HA ) 3.0 1.2 1.3 ! B.634 at 6.02e+07 assign (resid 24 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.287 at 6.40e+06 assign (resid 24 and name HB1 ) (resid 58 and name HA ) 3.0 1.2 0.3 ! B.257 at 7.92e+07 assign (resid 24 and name HB2 ) (resid 58 and name HA ) 3.0 1.2 0.6 ! B.259 at 7.47e+07 assign (resid 24 and name HB1 ) (resid 59 and name HN ) 3.0 1.2 0.3 ! A.298 at 2.27e+06 assign (resid 24 and name HB2 ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.299 at 2.60e+06 assign (resid 24 and name HA ) (resid 59 and name HN ) 2.5 0.7 1.0 ! A.295 at 6.94e+06 ! F25 assign (resid 25 and name HA ) (resid 25 and name HN ) 3.0 1.2 0.2 ! A.152 at 3.97e+06 assign (resid 25 and name HB1 ) (resid 25 and name HN ) 2.5 0.7 0.7 ! A.154 at 6.99e+06 assign (resid 25 and name HB2 ) (resid 25 and name HN ) 3.0 1.2 1.0 ! A.153 at 7.17e+06 assign (resid 25 and name HD1 ) (resid 25 and name HN ) 4.0 2.2 0.5 ! A.150 at 2.42e+06 assign (resid 25 and name HD2 ) (resid 25 and name HN ) 2.5 0.7 0.7 ! A.149 at 2.58e+06 assign (resid 25 and name HE2 ) (resid 25 and name HN ) 4.0 2.2 0.5 ! A.151 at 2.06e+06 !assign (resid 25 and name HB2 ) (resid 25 and name HE1 ) 4.0 2.2 0.5 ! B.518 at 2.11e+08 assign (resid 25 and name HB2 ) (resid 25 and name HD2 ) 3.0 1.2 0.8 ! B.520 at 1.97e+08 assign (resid 25 and name HB1 ) (resid 25 and name HD2 ) 2.5 0.7 0.2 ! B.523 at 2.58e+08 assign (resid 25 and name HB1 ) (resid 25 and name HD1 ) 2.5 0.7 1.0 ! B.524 at 2.58e+08 assign (resid 25 and name HB2 ) (resid 25 and name HD1 ) 2.5 0.7 0.2 ! B.525 at 2.57e+08 assign (resid 25 and name HA ) (resid 26 and name HN ) 4.0 2.2 0.8 ! A.383 at 4.88e+06 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 2.5 0.7 1.0 ! A.386 at 2.86e+06 assign (resid 25 and name HB1 ) (resid 26 and name HN ) 4.0 2.2 0.5 ! A.385 at 2.86e+06 !!!assign (resid 25 and name HD1 ) (resid 26 and name HA ) 4.0 2.2 2.0 ! B.63 at 2.44e+07 assign (resid 25 and name HN ) (resid 26 and name HA ) 4.0 2.2 2.0 ! B.77 at 2.55e+07 assign (resid 25 and name HZ ) (resid 36 and name HD# ) 4.0 2.2 0.5 ! B.254 at 1.55e+08 assign (resid 25 and name HN ) (resid 57 and name HB1 ) 4.0 2.2 1.0 ! A.155 at 1.73e+06 !assign (resid 25 and name HD1 ) (resid 57 and name HB1 ) 3.0 1.2 1.0 ! B.65 at 6.15e+07 assign (resid 25 and name HD2 ) (resid 57 and name HB1 ) 3.0 1.2 0.3 ! B.66 at 6.15e+07 assign (resid 25 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.611 at 1.90e+06 assign (resid 25 and name HE1 ) (resid 40 and name HB ) 4.0 2.2 1.5 ! B.646 at 5.37e+07 assign (resid 25 and name HE2 ) (resid 40 and name HB ) 4.0 2.2 2.0 ! B.627 at 5.37e+07 assign (resid 25 and name HE2 ) (resid 40 and name HG12 ) 4.0 2.2 0.8 ! B.642 at 3.26e+07 ! Y26 assign (resid 26 and name HA ) (resid 26 and name HB# ) 2.5 0.7 0.2 ! B.550 at 2.54e+08 assign (resid 26 and name HA ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.384 at 6.93e+06 assign (resid 26 and name HD1 ) (resid 26 and name HN ) 4.0 2.2 0.5 ! A.548 at 1.85e+06 assign (resid 26 and name HB# ) (resid 26 and name HN ) 2.5 0.7 0.5 ! A.426 at 1.29e+07 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.0 1.2 0.7 ! A.532 at 3.33e+06 assign (resid 26 and name HD2 ) (resid 27 and name HG2# ) 3.0 1.2 0.7 ! B.229 at 1.27e+08 assign (resid 26 and name HD1 ) (resid 27 and name HG2# ) 4.0 2.2 2.0 ! B.592 at 5.96e+07 assign (resid 26 and name HE2 ) (resid 41 and name HG1# ) 4.0 2.2 1.5 ! B.380 at 6.90e+07 ! T27 assign (resid 27 and name HA ) (resid 27 and name HG2# ) 3.0 1.2 1.0 ! B.618 at 1.09e+08 assign (resid 27 and name HN ) (resid 27 and name HG2# ) 3.0 1.2 1.0 ! B.624 at 6.18e+07 assign (resid 27 and name HB ) (resid 27 and name HN ) 2.5 0.7 0.5 ! A.533 at 1.11e+06 assign (resid 27 and name HG2# ) (resid 28 and name HA ) 4.0 2.2 1.8 ! B.138 at 4.03e+07 assign (resid 27 and name HG2# ) (resid 28 and name HD1 ) 4.0 2.2 1.5 ! B.154 at 3.12e+07 assign (resid 27 and name HA ) (resid 28 and name HD2 ) 2.5 0.7 0.2 ! B.320 at 3.78e+07 assign (resid 27 and name HA ) (resid 28 and name HD1 ) 2.5 0.7 0.2 ! B.356 at 1.40e+08 assign (resid 27 and name HG2# ) (resid 29 and name HN ) 4.0 2.2 1.5 ! A.33 at 3.09e+06 assign (resid 27 and name HG2# ) (resid 30 and name HN ) 4.0 2.2 2.0 ! B.623 at 7.51e+07 ! P28 assign (resid 28 and name HG1 ) (resid 28 and name HA ) 3.0 1.2 1.0 ! B.607 at 9.13e+07 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.0 1.2 1.2 ! A.36 at 6.38e+06 assign (resid 28 and name HD1 ) (resid 29 and name HN ) 4.0 2.2 2.0 ! A.38 at 1.95e+06 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.0 1.2 1.0 ! A.40 at 4.99e+06 assign (resid 28 and name HD2 ) (resid 29 and name HN ) 4.0 2.2 2.0 ! A.41 at 1.49e+06 assign (resid 28 and name HB1 ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.37 at 1.43e+06 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 4.0 2.2 1.3 ! A.36 at 1.43e+06 assign (resid 28 and name HA ) (resid 29 and name HD1 ) 4.0 2.2 1.8 ! B.202 at 4.23e+07 assign (resid 28 and name HA ) (resid 29 and name HD2 ) 4.0 2.2 0.5 ! B.203 at 4.23e+07 assign (resid 28 and name HD1 ) (resid 29 and name HD2 ) 4.0 2.2 1.8 ! B.329 at 1.52e+08 assign (resid 28 and name HG1 ) (resid 30 and name HN ) 4.0 2.2 2.0 ! A.49 at 2.31e+06 ! R29 assign (resid 29 and name HA ) (resid 29 and name HN ) 2.5 0.7 0.7 ! A.39 at 6.67e+06 assign (resid 29 and name HG2 ) (resid 29 and name HN ) 3.0 1.2 1.0 ! A.35 at 1.35e+07 assign (resid 29 and name HB# ) (resid 29 and name HN ) 3.0 1.2 0.7 ! A.42 at 1.03e+07 assign (resid 29 and name HG1 ) (resid 29 and name HN ) 3.0 1.2 1.2 ! A.34 at 4.62e+06 assign (resid 29 and name HG2 ) (resid 29 and name HA ) 4.0 2.2 1.0 ! B.181 at 4.20e+07 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.0 1.2 1.0 ! A.47 at 1.18e+07 assign (resid 29 and name HG1 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.44 at 2.13e+06 assign (resid 29 and name HG2 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.50 at 4.44e+06 assign (resid 29 and name HB# ) (resid 30 and name HN ) 3.0 1.2 1.3 ! A.45 at 4.70e+06 ! T30 assign (resid 30 and name HA ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.48 at 1.03e+07 assign (resid 30 and name HB ) (resid 30 and name HN ) 3.0 1.2 1.0 ! A.46 at 4.70e+06 assign (resid 30 and name HG2# ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.43 at 3.48e+06 assign (resid 30 and name HG2# ) (resid 30 and name HA ) 2.5 0.7 1.0 ! B.140 at 1.27e+08 assign (resid 30 and name HG2# ) (resid 31 and name HN ) 4.0 2.2 1.3 ! A.1 at 1.25e+06 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.0 1.2 0.8 ! A.6 at 1.35e+07 assign (resid 30 and name HB ) (resid 32 and name HN ) 3.0 1.2 1.0 ! A.11 at 3.69e+06 assign (resid 30 and name HG2# ) (resid 32 and name HN ) 4.0 2.2 1.5 ! A.9 at 1.60e+06 assign (resid 30 and name HA ) (resid 32 and name HN ) 3.0 1.2 1.0 ! B.506 at 2.55e+08 assign (resid 30 and name HA ) (resid 32 and name HG# ) 4.0 2.2 1.0 ! B.608 at 7.45e+07 ! E31 assign (resid 31 and name HB# ) (resid 31 and name HN ) 3.0 1.2 1.0 ! A.2 at 9.97e+06 assign (resid 31 and name HG# ) (resid 31 and name HN ) 2.5 0.7 0.9 ! A.3 at 5.07e+06 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.0 1.2 1.0 ! A.12 at 2.81e+07 assign (resid 31 and name HA ) (resid 33 and name HN ) 3.0 1.2 1.0 ! A.549 at 1.50e+07 ! E32 assign (resid 32 and name HB2 ) (resid 32 and name HN ) 2.5 0.7 0.8 ! A.8 at 9.56e+06 assign (resid 32 and name HG# ) (resid 32 and name HN ) 3.0 1.2 1.0 ! A.7 at 3.33e+06 assign (resid 32 and name HG# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.14 at 2.55e+06 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.4 ! A.19 at 1.64e+07 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 3.0 1.2 1.0 ! A.16 at 3.82e+06 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.15 at 5.17e+06 ! G33 assign (resid 33 and name HA2 ) (resid 34 and name HN ) 3.0 1.2 0.4 ! A.55 at 9.91e+06 assign (resid 33 and name HA1 ) (resid 34 and name HN ) 2.5 0.7 0.8 ! A.54 at 1.38e+07 ! S34 assign (resid 34 and name HB1 ) (resid 34 and name HN ) 2.5 0.7 0.8 ! A.53 at 1.43e+07 assign (resid 34 and name HB2 ) (resid 34 and name HN ) 3.0 1.2 0.8 ! A.52 at 1.43e+07 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 3.0 1.2 0.4 ! A.58 at 1.29e+07 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 2.5 0.7 0.7 ! A.57 at 1.31e+07 assign (resid 34 and name HA ) (resid 35 and name HN ) 3.0 1.2 0.4 ! A.56 at 3.46e+07 assign (resid 34 and name HB1 ) (resid 35 and name HG2 ) 4.0 2.2 1.0 ! B.604 at 3.65e+07 ! R35 assign (resid 35 and name HD# ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.60 at 3.76e+06 assign (resid 35 and name HB2 ) (resid 35 and name HN ) 3.0 1.2 1.0 ! A.62 at 2.52e+07 assign (resid 35 and name HG2 ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.61 at 2.15e+07 assign (resid 35 and name HB1 ) (resid 35 and name HN ) 3.0 1.2 0.9 ! A.63 at 1.74e+07 assign (resid 35 and name HG1 ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.64 at 1.60e+07 assign (resid 35 and name HG2 ) (resid 35 and name HA ) 4.0 2.2 1.0 ! B.174 at 3.92e+07 assign (resid 35 and name HG1 ) (resid 36 and name HN ) 3.0 1.2 0.4 ! A.69 at 1.09e+07 assign (resid 35 and name HG2 ) (resid 36 and name HN ) 2.5 0.7 0.7 ! A.70 at 1.17e+07 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.72 at 1.96e+07 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.74 at 1.54e+07 assign (resid 35 and name HD# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.67 at 2.91e+06 assign (resid 35 and name HG1 ) (resid 36 and name HA ) 3.0 1.2 1.0 ! B.172 at 9.26e+07 assign (resid 35 and name HB2 ) (resid 36 and name HA ) 3.0 1.2 1.5 ! B.179 at 1.21e+08 assign (resid 35 and name HA ) (resid 38 and name HG2 ) 4.0 2.2 1.0 ! B.175 at 1.21e+08 ! R36 assign (resid 36 and name HG1 ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.68 at 9.30e+06 assign (resid 36 and name HG2 ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.76 at 1.17e+07 assign (resid 36 and name HB2 ) (resid 36 and name HN ) 3.0 1.2 0.9 ! A.75 at 1.86e+07 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.73 at 1.94e+07 assign (resid 36 and name HG1 ) (resid 36 and name HA ) 4.0 2.2 1.0 ! B.171 at 4.30e+07 assign (resid 36 and name HG2 ) (resid 36 and name HA ) 3.0 1.2 0.8 ! B.173 at 9.26e+07 assign (resid 36 and name HD# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.85 at 1.11e+06 assign (resid 36 and name HG1 ) (resid 37 and name HN ) 3.0 1.2 1.5 ! A.80 at 3.09e+06 assign (resid 36 and name HG2 ) (resid 37 and name HN ) 3.0 1.2 1.2 ! A.84 at 3.90e+06 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.0 1.2 0.4 ! A.86 at 1.50e+07 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 2.5 0.7 0.9 ! A.82 at 5.16e+06 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.0 1.2 0.7 ! A.83 at 6.38e+06 !assign (resid 36 and name HD# ) (resid 57 and name HE1 ) 4.0 2.2 2.5 ! B.515 at 2.94e+07 ! S37 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.88 at 9.60e+06 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 2.5 0.7 0.9 ! A.77 at 9.60e+06 assign (resid 37 and name HA ) (resid 38 and name HN ) 3.0 1.2 1.0 ! A.28 at 6.67e+06 assign (resid 37 and name HA ) (resid 39 and name HN ) 3.0 1.2 1.0 ! A.539 at 9.13e+06 assign (resid 37 and name HB2 ) (resid 40 and name HG2# ) 4.0 2.2 1.2 ! B.161 at 7.34e+07 ! R38 assign (resid 38 and name HB1 ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.32 at 1.03e+07 assign (resid 38 and name HG2 ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.31 at 5.33e+06 assign (resid 38 and name HD# ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.27 at 1.63e+06 assign (resid 38 and name HG2 ) (resid 38 and name HA ) 3.0 1.2 1.0 ! B.180 at 3.88e+07 assign (resid 38 and name HA ) (resid 38 and name HG1 ) 3.0 1.2 0.8 ! B.559 at 8.43e+07 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 3.0 1.2 1.2 ! A.538 at 3.48e+06 assign (resid 38 and name HG2 ) (resid 39 and name HN ) 3.0 1.2 1.0 ! A.537 at 3.05e+06 assign (resid 38 and name HD# ) (resid 39 and name HN ) 4.0 2.2 1.5 ! A.26 at 9.44e+05 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.9 ! A.20 at 1.03e+07 assign (resid 38 and name HG1 ) (resid 39 and name HA1 ) 3.0 1.2 1.0 ! B.184 at 3.34e+07 assign (resid 38 and name HG1 ) (resid 39 and name HA2 ) 3.0 1.2 0.8 ! B.319 at 8.57e+07 assign (resid 38 and name HA ) (resid 41 and name HN ) 4.0 2.2 0.5 ! B.502 at 5.59e+07 assign (resid 38 and name HA ) (resid 42 and name HN ) 2.5 0.7 0.6 ! A.94 at 6.03e+06 assign (resid 38 and name HA ) (resid 42 and name HG# ) 2.5 0.7 0.7 ! B.321 at 2.19e+08 assign (resid 38 and name HA ) (resid 42 and name HB2 ) 2.5 0.7 0.2 ! B.271 at 1.88e+08 ! G39 assign (resid 39 and name HA1 ) (resid 39 and name HN ) 2.5 0.7 0.2 ! A.23 at 8.86e+07 assign (resid 39 and name HA2 ) (resid 39 and name HN ) 2.5 0.7 0.5 ! A.25 at 5.54e+07 assign (resid 39 and name HA2 ) (resid 43 and name HB2 ) 3.0 1.2 0.5 ! B.605 at 6.55e+07 ! I40 assign (resid 40 and name HG2# ) (resid 40 and name HA ) 3.0 1.2 1.0 ! B.125 at 3.92e+07 assign (resid 40 and name HG2# ) (resid 41 and name HN ) 3.0 1.2 0.2 ! A.89 at 4.36e+06 assign (resid 40 and name HD1# ) (resid 41 and name HA ) 4.0 2.2 1.0 ! B.118 at 1.23e+08 assign (resid 40 and name HG2# ) (resid 41 and name HA ) 3.0 1.2 1.0 ! B.128 at 3.38e+08 assign (resid 40 and name HG2# ) (resid 41 and name HG2# ) 2.5 0.7 1.2 ! B.236 at 2.98e+08 assign (resid 40 and name HB ) (resid 41 and name HN ) 2.5 0.7 1.2 ! B.473 at 2.00e+08 assign (resid 40 and name HD1# ) (resid 44 and name HB1 ) 4.0 2.2 1.0 ! B.615 at 2.98e+08 assign (resid 40 and name HD1# ) (resid 54 and name HA ) 3.0 1.2 1.0 ! B.115 at 3.10e+07 assign (resid 40 and name HD1# ) (resid 54 and name HD2# ) 2.5 0.7 1.0 ! B.238 at 1.81e+08 assign (resid 40 and name HD1# ) (resid 54 and name HG ) 4.0 2.2 1.0 ! B.273 at 1.55e+08 assign (resid 40 and name HG12 ) (resid 57 and name HB1 ) 3.0 1.2 1.0 ! B.150 at 4.06e+07 assign (resid 40 and name HD1# ) (resid 57 and name HD2 ) 3.0 1.2 1.0 ! B.363 at 7.97e+07 assign (resid 40 and name HD1# ) (resid 57 and name HE2 ) 3.0 1.2 0.7 ! B.389 at 2.59e+08 assign (resid 40 and name HG12 ) (resid 57 and name HE1 ) 3.0 1.2 1.0 ! B.394 at 4.28e+07 assign (resid 40 and name HG12 ) (resid 57 and name HE2 ) 3.0 1.2 1.0 ! B.395 at 4.22e+07 assign (resid 40 and name HB ) (resid 57 and name HE1 ) 3.0 1.2 0.5 ! B.423 at 1.34e+08 ! V41 assign (resid 41 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.92 at 6.99e+06 assign (resid 41 and name HB ) (resid 41 and name HN ) 2.5 0.7 1.0 ! A.91 at 6.62e+06 assign (resid 41 and name HG1# ) (resid 41 and name HN ) 4.0 2.2 0.5 ! A.90 at 7.51e+06 assign (resid 41 and name HG1# ) (resid 41 and name HA ) 2.5 0.7 0.7 ! B.158 at 3.68e+08 assign (resid 41 and name HG2# ) (resid 41 and name HN ) 2.5 0.7 0.9 ! B.230 at 1.87e+08 assign (resid 41 and name HG2# ) (resid 41 and name HA ) 2.5 0.7 1.3 ! B.232 at 1.80e+08 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.541 at 2.75e+06 !!!assign (resid 41 and name HG1# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.96 at 1.86e+06 assign (resid 41 and name HA ) (resid 44 and name HB2 ) 3.0 1.2 0.7 ! B.326 at 1.96e+08 assign (resid 41 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! B.442 at 4.50e+07 assign (resid 41 and name HA ) (resid 45 and name HN ) 3.0 1.2 0.8 ! A.114 at 3.36e+06 assign (resid 41 and name HG1# ) (resid 45 and name HN ) 4.0 2.2 1.5 ! A.106 at 2.87e+06 assign (resid 41 and name HB ) (resid 45 and name HN ) 4.0 2.2 1.5 ! A.108 at 3.55e+06 assign (resid 41 and name HG1# ) (resid 45 and name HB2 ) 2.5 0.7 1.0 ! B.146 at 3.78e+08 !assign (resid 41 and name HG1# ) (resid 45 and name HB1 ) 2.5 0.7 1.2 ! B.159 at 1.22e+08 assign (resid 41 and name HA ) (resid 45 and name HB2 ) 3.0 1.2 0.7 ! B.327 at 4.61e+07 assign (resid 41 and name HG1# ) (resid 46 and name HN ) 4.0 2.2 2.0 ! A.120 at 1.76e+06 ! E42 assign (resid 42 and name HA ) (resid 42 and name HB1 ) 2.5 0.7 0.5 ! B.266 at 3.58e+08 assign (resid 42 and name HA ) (resid 42 and name HB2 ) 2.5 0.7 1.0 ! B.264 at 3.03e+08 assign (resid 42 and name HA ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.93 at 1.33e+07 assign (resid 42 and name HA ) (resid 42 and name HG# ) 2.5 0.7 0.9 ! B.262 at 1.42e+08 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.0 1.2 0.8 ! A.546 at 1.73e+07 assign (resid 42 and name HG# ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.545 at 1.74e+06 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.543 at 5.67e+06 assign (resid 42 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.105 at 1.56e+06 assign (resid 42 and name HA ) (resid 45 and name HN ) 3.0 1.2 1.0 ! B.485 at 9.92e+07 assign (resid 42 and name HB1 ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.124 at 7.23e+06 ! Q43 assign (resid 43 and name HA ) (resid 43 and name HB1 ) 3.0 1.2 0.3 ! B.656 at 4.07e+06 assign (resid 43 and name HA ) (resid 43 and name HB2 ) 2.5 0.7 0.3 ! B.657 at 4.07e+06 assign (resid 43 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.547 at 1.20e+07 assign (resid 43 and name HB2 ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.544 at 6.46e+06 assign (resid 43 and name HB1 ) (resid 43 and name HN ) 3.0 1.2 0.2 ! A.542 at 4.54e+06 assign (resid 43 and name HG1 ) (resid 43 and name HE21 ) 3.0 1.2 1.0 ! A.573 at 3.03e+06 assign (resid 43 and name HG1 ) (resid 43 and name HE22 ) 4.0 2.2 0.2 ! A.571 at 2.47e+06 assign (resid 43 and name HG2 ) (resid 43 and name HE22 ) 4.0 2.2 0.6 ! A.566 at 2.50e+06 assign (resid 43 and name HA ) (resid 43 and name HG1 ) 3.0 1.2 0.8 ! B.322 at 1.28e+08 assign (resid 43 and name HA ) (resid 43 and name HG2 ) 3.0 1.2 0.9 ! B.323 at 1.04e+08 assign (resid 43 and name HE21 ) (resid 43 and name HG2 ) 3.0 1.2 0.8 ! B.566 at 8.25e+07 assign (resid 43 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.104 at 2.77e+06 assign (resid 43 and name HB1 ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.99 at 5.62e+06 assign (resid 43 and name HB2 ) (resid 44 and name HN ) 3.0 1.2 0.8 ! A.98 at 5.36e+06 assign (resid 43 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 1.3 ! B.455 at 9.15e+07 assign (resid 43 and name HA ) (resid 47 and name HN ) 4.0 2.2 0.2 ! A.138 at 2.46e+06 assign (resid 43 and name HE21 ) (resid 49 and name HB2 ) 4.0 2.2 0.5 ! A.572 at 3.03e+06 assign (resid 43 and name HG1 ) (resid 53 and name HE22 ) 3.0 1.2 0.8 ! B.426 at 6.74e+07 ! C44 assign (resid 44 and name HA ) (resid 44 and name HB1 ) 2.5 0.7 0.2 ! A.892 at 4.29e+06 !!!!assign (resid 44 and name HA ) (resid 44 and name HB2 ) 2.5 0.7 0.6 ! A.464 at 1.03e+06 assign (resid 44 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.5 ! A.103 at 2.41e+06 !!assign (resid 44 and name HB1 ) (resid 44 and name HN ) 3.0 1.2 1.0 ! A.102 at 2.01e+06 assign (resid 44 and name HB2 ) (resid 44 and name HN ) 2.5 0.7 0.2 ! A.101 at 2.53e+06 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.0 1.2 1.0 ! A.116 at 2.92e+06 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 2.5 0.7 0.6 ! A.109 at 1.25e+06 assign (resid 44 and name HN ) (resid 45 and name HN ) 2.5 0.7 0.4 ! A.145 at 7.96e+06 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 3.0 1.2 0.3 ! A.110 at 3.33e+06 assign (resid 44 and name HA ) (resid 47 and name HN ) 3.0 1.2 0.8 ! B.72 at 6.84e+07 assign (resid 44 and name HN ) (resid 49 and name HB2 ) 4.0 2.2 1.2 ! A.100 at 1.50e+06 assign (resid 44 and name HN ) (resid 49 and name HB1 ) 3.0 1.2 1.0 ! B.451 at 6.17e+07 assign (resid 44 and name HN ) (resid 54 and name HD2# ) 4.0 2.2 1.8 ! A.95 at 1.52e+06 assign (resid 44 and name HB1 ) (resid 54 and name HD2# ) 3.0 1.2 1.5 ! B.616 at 7.05e+07 ! C45 assign (resid 45 and name HA ) (resid 45 and name HB1 ) 2.5 0.7 0.6 ! B.242 at 5.88e+07 assign (resid 45 and name HA ) (resid 45 and name HB2 ) 3.0 1.2 0.6 ! B.432 at 3.35e+07 assign (resid 45 and name HA ) (resid 45 and name HN ) 3.0 1.2 0.2 ! A.115 at 3.20e+06 assign (resid 45 and name HB2 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.111 at 4.35e+06 assign (resid 45 and name HB1 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.113 at 4.15e+06 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.129 at 9.67e+05 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.127 at 3.71e+06 assign (resid 45 and name HN ) (resid 46 and name HN ) 3.0 1.2 0.2 ! A.118 at 4.04e+06 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 2.5 0.7 0.6 ! A.126 at 2.81e+06 assign (resid 45 and name HN ) (resid 46 and name HA ) 4.0 2.2 2.0 ! B.487 at 4.10e+07 assign (resid 45 and name HN ) (resid 47 and name HN ) 3.0 1.2 1.0 ! A.143 at 1.25e+06 ! R46 assign (resid 46 and name HA ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.128 at 3.88e+06 assign (resid 46 and name HD# ) (resid 46 and name HN ) 4.0 2.2 1.5 ! A.130 at 1.34e+06 assign (resid 46 and name HG1 ) (resid 46 and name HN ) 4.0 2.2 0.5 ! A.121 at 3.47e+06 assign (resid 46 and name HB2 ) (resid 46 and name HN ) 3.0 1.2 0.8 ! A.125 at 3.64e+06 assign (resid 46 and name HG2 ) (resid 46 and name HN ) 4.0 2.2 0.8 ! A.122 at 3.27e+06 assign (resid 46 and name HB1 ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.123 at 7.25e+06 assign (resid 46 and name HG1 ) (resid 46 and name HA ) 3.0 1.2 0.5 ! B.182 at 9.88e+07 assign (resid 46 and name HG2 ) (resid 46 and name HA ) 4.0 2.2 0.3 ! B.188 at 6.19e+07 assign (resid 46 and name HD# ) (resid 46 and name HA ) 4.0 2.2 0.5 ! B.204 at 9.45e+07 assign (resid 46 and name HB1 ) (resid 46 and name HD# ) 3.0 1.2 1.0 ! B.596 at 8.84e+07 assign (resid 46 and name HN ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.119 at 2.73e+06 assign (resid 46 and name HD# ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.132 at 1.74e+06 assign (resid 46 and name HG1 ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.133 at 1.17e+06 assign (resid 46 and name HA ) (resid 47 and name HN ) 3.0 1.2 1.0 ! A.139 at 2.20e+06 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 3.0 1.2 1.2 ! A.134 at 3.03e+06 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 3.0 1.2 1.0 ! A.136 at 5.76e+06 assign (resid 46 and name HD# ) (resid 47 and name HA ) 4.0 2.2 1.0 ! B.199 at 3.81e+08 ! S47 assign (resid 47 and name HA ) (resid 47 and name HB1 ) 2.5 0.7 0.3 ! B.198 at 2.48e+08 assign (resid 47 and name HA ) (resid 47 and name HB2 ) 3.0 1.2 0.6 ! B.213 at 1.35e+08 assign (resid 47 and name HA ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.141 at 4.39e+06 assign (resid 47 and name HB2 ) (resid 47 and name HN ) 3.0 1.2 0.3 ! A.137 at 2.47e+06 assign (resid 47 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 0.3 ! A.140 at 2.20e+06 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 3.0 1.2 0.2 ! A.178 at 4.69e+06 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.0 1.2 0.2 ! A.176 at 2.88e+06 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.179 at 2.46e+06 assign (resid 47 and name HB2 ) (resid 49 and name HB1 ) 4.0 2.2 0.8 ! B.332 at 6.19e+07 ! I48 assign (resid 48 and name HA ) (resid 48 and name HN ) 2.5 0.7 0.8 ! A.177 at 1.98e+06 assign (resid 48 and name HB ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.180 at 5.15e+06 assign (resid 48 and name HG2# ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.181 at 2.04e+06 assign (resid 48 and name HD1# ) (resid 48 and name HN ) 4.0 2.2 0.8 ! A.183 at 1.73e+06 assign (resid 48 and name HG11 ) (resid 48 and name HN ) 4.0 2.2 0.5 ! B.612 at 2.05e+06 assign (resid 48 and name HG12 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.182 at 1.18e+06 assign (resid 48 and name HG11 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! B.220 at 5.63e+07 assign (resid 48 and name HA ) (resid 48 and name HG2# ) 2.5 0.7 0.9 ! B.308 at 1.24e+08 assign (resid 48 and name HA ) (resid 48 and name HD1# ) 4.0 2.2 0.8 ! B.311 at 4.39e+07 assign (resid 48 and name HA ) (resid 48 and name HG12 ) 3.0 1.2 1.0 ! B.340 at 5.09e+07 assign (resid 48 and name HB ) (resid 48 and name HD1# ) 3.0 1.2 1.0 ! B.100 at 1.39e+08 ! C49 assign (resid 49 and name HB2 ) (resid 50 and name HN ) 3.0 1.2 0.2 ! A.169 at 1.98e+06 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.2 ! A.174 at 1.65e+06 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 0.3 ! A.170 at 9.52e+05 assign (resid 49 and name HB2 ) (resid 53 and name HE22 ) 3.0 1.2 1.0 ! A.569 at 2.27e+06 assign (resid 49 and name HB2 ) (resid 53 and name HE21 ) 3.0 1.2 0.6 ! A.568 at 4.69e+06 ! S50 assign (resid 50 and name HA ) (resid 50 and name HB2 ) 2.5 0.7 0.6 ! B.201 at 2.65e+07 assign (resid 50 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.6 ! A.173 at 8.07e+06 assign (resid 50 and name HB1 ) (resid 50 and name HN ) 3.0 1.2 1.0 ! A.171 at 9.68e+05 assign (resid 50 and name HB2 ) (resid 50 and name HN ) 3.0 1.2 0.3 ! A.172 at 1.40e+06 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.2 ! A.186 at 3.24e+06 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.187 at 4.40e+06 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.188 at 8.07e+06 assign (resid 50 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.205 at 1.18e+06 assign (resid 50 and name HB1 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! B.429 at 6.02e+07 assign (resid 50 and name HN ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.211 at 1.69e+06 assign (resid 50 and name HN ) (resid 53 and name HB2 ) 3.0 1.2 1.0 ! A.175 at 1.69e+06 assign (resid 50 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 0.7 ! B.428 at 6.02e+07 assign (resid 50 and name HB1 ) (resid 53 and name HG1 ) 4.0 2.2 1.0 ! B.603 at 1.61e+08 ! L51 assign (resid 51 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4 ! B.83 at 5.58e+07 assign (resid 51 and name HD1# ) (resid 51 and name HN ) 3.0 1.2 1.5 ! A.195 at 3.89e+06 assign (resid 51 and name HD2# ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.189 at 4.32e+06 assign (resid 51 and name HG ) (resid 51 and name HN ) 2.5 0.7 0.8 ! A.191 at 8.69e+06 assign (resid 51 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 1.0 ! A.194 at 8.80e+06 assign (resid 51 and name HB2 ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.190 at 6.80e+06 assign (resid 51 and name HG ) (resid 51 and name HA ) 4.0 2.2 1.0 ! B.151 at 5.75e+07 assign (resid 51 and name HD2# ) (resid 51 and name HA ) 2.5 0.7 0.7 ! B.160 at 1.68e+08 assign (resid 51 and name HN ) (resid 52 and name HN ) 3.0 1.2 0.3 ! A.184 at 3.26e+07 assign (resid 51 and name HD1# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! B.223 at 7.20e+06 assign (resid 51 and name HD2# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! A.200 at 2.28e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 1.0 ! A.204 at 1.63e+06 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.0 1.2 1.0 ! A.203 at 4.03e+06 assign (resid 51 and name HG ) (resid 52 and name HN ) 3.0 1.2 1.2 ! A.202 at 4.77e+06 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.201 at 2.79e+06 assign (resid 51 and name HB2 ) (resid 52 and name HA ) 4.0 2.2 1.0 ! B.619 at 3.66e+07 assign (resid 51 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 2.0 ! A.213 at 9.07e+05 assign (resid 51 and name HA ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.222 at 1.29e+06 assign (resid 51 and name HA ) (resid 54 and name HD1# ) 3.0 1.2 1.0 ! B.167 at 5.30e+07 assign (resid 51 and name HD2# ) (resid 54 and name HD1# ) 3.0 1.2 1.0 ! B.289 at 2.96e+08 ! Y52 assign (resid 52 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.2 ! B.479 at 1.78e+08 assign (resid 52 and name HD2 ) (resid 52 and name HN ) 4.0 2.2 0.3 ! A.198 at 1.55e+06 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.209 at 7.73e+06 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 2.5 0.7 0.9 ! A.208 at 9.33e+06 assign (resid 52 and name HA ) (resid 52 and name HD2 ) 2.5 0.7 0.8 ! B.480 at 1.09e+08 assign (resid 52 and name HB2 ) (resid 52 and name HD1 ) 3.0 1.2 0.6 ! B.519 at 1.77e+08 assign (resid 52 and name HB2 ) (resid 52 and name HD2 ) 2.5 0.7 0.7 ! B.521 at 9.12e+07 assign (resid 52 and name HA ) (resid 52 and name HD1 ) 3.0 1.2 0.7 ! B.529 at 1.25e+08 assign (resid 52 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.218 at 3.43e+06 assign (resid 52 and name HA ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.220 at 1.80e+06 assign (resid 52 and name HB1 ) (resid 53 and name HN ) 3.0 1.2 0.2 ! A.217 at 4.18e+06 assign (resid 52 and name HD1 ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.212 at 1.51e+06 assign (resid 52 and name HD1 ) (resid 53 and name HG2 ) 4.0 2.2 1.0 ! B.407 at 4.85e+07 assign (resid 52 and name HN ) (resid 54 and name HN ) 4.0 2.2 0.5 ! A.197 at 1.55e+06 assign (resid 52 and name HA ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.249 at 2.22e+06 assign (resid 52 and name HA ) (resid 55 and name HB1 ) 2.5 0.7 0.5 ! B.196 at 1.17e+08 assign (resid 52 and name HD1 ) (resid 56 and name HN ) 4.0 2.2 2.5 ! A.263 at 1.55e+06 ! Q53 assign (resid 53 and name HB1 ) (resid 53 and name HA ) 2.5 0.7 0.5 ! B.706 at -1.23e+06 assign (resid 53 and name HB2 ) (resid 53 and name HA ) 3.0 1.2 0.3 ! B.707 at -1.03e+06 assign (resid 53 and name HA ) (resid 53 and name HN ) 2.5 0.7 0.6 ! A.219 at 3.92e+06 assign (resid 53 and name HG2 ) (resid 53 and name HN ) 2.5 0.7 0.9 ! A.216 at 8.54e+06 assign (resid 53 and name HG1 ) (resid 53 and name HN ) 2.5 0.7 0.2 ! A.215 at 9.31e+06 assign (resid 53 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.214 at 4.19e+06 assign (resid 53 and name HG2 ) (resid 53 and name HA ) 2.5 0.7 0.2 ! B.600 at 1.54e+08 assign (resid 53 and name HG1 ) (resid 53 and name HA ) 2.5 0.7 0.7 ! B.609 at 1.55e+08 assign (resid 53 and name HA ) (resid 56 and name HB1 ) 3.0 1.2 0.3 ! B.601 at 8.47e+07 assign (resid 53 and name HB2 ) (resid 53 and name HE21 ) 3.0 1.2 1.0 ! A.574 at 1.30e+06 assign (resid 53 and name HG2 ) (resid 53 and name HE22 ) 3.0 1.2 1.0 ! A.570 at 2.26e+06 assign (resid 53 and name HG2 ) (resid 53 and name HE21 ) 3.0 1.2 0.3 ! A.567 at 4.69e+06 assign (resid 53 and name HA ) (resid 53 and name HG2 ) 2.5 0.7 0.2 ! B.324 at 2.16e+08 assign (resid 53 and name HA ) (resid 53 and name HG1 ) 2.5 0.7 0.8 ! B.325 at 1.90e+08 assign (resid 53 and name HA ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.224 at 1.15e+06 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.0 1.2 0.2 ! A.221 at 3.16e+06 assign (resid 53 and name HG1 ) (resid 54 and name HN ) 4.0 2.2 0.2 ! A.233 at 2.87e+06 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.235 at 2.19e+06 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.234 at 3.91e+06 assign (resid 53 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.257 at 7.01e+06 assign (resid 53 and name HA ) (resid 56 and name HB1 ) 3.0 1.2 1.0 ! B.601 at 8.47e+07 assign (resid 53 and name HA ) (resid 56 and name HN ) 3.0 1.2 1.0 ! A.270 at 1.61e+06 assign (resid 53 and name HA ) (resid 56 and name HD22 ) 4.0 2.2 1.0 ! A.550 at 2.21e+06 assign (resid 53 and name HA ) (resid 56 and name HD21 ) 3.0 1.2 1.0 ! A.551 at 1.88e+06 assign (resid 53 and name HB2 ) (resid 57 and name HE2 ) 3.0 1.2 0.8 ! B.401 at 6.40e+07 assign (resid 53 and name HA ) (resid 57 and name HD2 ) 4.0 2.2 1.3 ! B.413 at 3.24e+07 ! L54 assign (resid 54 and name HA ) (resid 54 and name HB1 ) 2.5 0.7 0.4 ! B.420 at 1.04e+06 assign (resid 54 and name HA ) (resid 54 and name HB2 ) 2.5 0.7 0.3 ! B.426 at 1.53e+06 assign (resid 54 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.2 ! A.225 at 2.54e+06 assign (resid 54 and name HD1# ) (resid 54 and name HN ) 3.0 1.2 1.5 ! A.232 at 3.34e+06 assign (resid 54 and name HD2# ) (resid 54 and name HN ) 3.0 1.2 1.2 ! A.231 at 3.50e+06 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 2.5 0.7 0.5 ! A.226 at 4.18e+06 assign (resid 54 and name HG ) (resid 54 and name HN ) 3.0 1.2 0.2 ! A.230 at 2.77e+06 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.227 at 2.77e+06 assign (resid 54 and name HD2# ) (resid 54 and name HA ) 2.5 0.7 0.7 ! B.135 at 1.29e+08 assign (resid 54 and name HD1# ) (resid 54 and name HA ) 4.0 2.2 0.5 ! B.136 at 8.47e+07 assign (resid 54 and name HG ) (resid 54 and name HA ) 4.0 2.2 1.0 ! B.153 at 3.42e+07 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 2.5 0.7 0.7 ! A.260 at 2.45e+06 assign (resid 54 and name HA ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.248 at 2.36e+06 assign (resid 54 and name HD2# ) (resid 55 and name HN ) 4.0 2.2 1.5 ! A.253 at 2.81e+06 assign (resid 54 and name HG ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.252 at 1.88e+06 assign (resid 54 and name HB1 ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.251 at 1.97e+06 assign (resid 54 and name HD2# ) (resid 56 and name HN ) 4.0 2.2 2.2 ! A.266 at 1.29e+06 assign (resid 54 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.7 ! A.271 at 1.37e+06 assign (resid 54 and name HD2# ) (resid 57 and name HD2 ) 3.0 1.2 1.0 ! B.364 at 1.54e+08 assign (resid 54 and name HD2# ) (resid 57 and name HE2 ) 3.0 1.2 0.8 ! B.384 at 5.47e+07 assign (resid 54 and name HA ) (resid 57 and name HN ) 3.0 1.2 1.0 ! A.619 at 1.25e+06 assign (resid 54 and name HA ) (resid 57 and name HD2 ) 2.5 0.7 0.2 ! B.412 at 2.74e+08 assign (resid 54 and name HA ) (resid 57 and name HE2 ) 2.5 0.7 0.5 ! B.526 at 1.35e+08 ! E55 assign (resid 55 and name HA ) (resid 55 and name HB1 ) 2.5 0.7 0.4 ! B.265 at 3.94e+08 assign (resid 55 and name HA ) (resid 55 and name HB2 ) 2.5 0.7 0.6 ! B.263 at 2.41e+08 assign (resid 55 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.372 at 1.15e+07 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.466 at 2.21e+08 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 2.5 0.7 0.8 ! A.258 at 7.03e+06 assign (resid 55 and name HG2 ) (resid 55 and name HN ) 4.0 2.2 0.5 ! A.250 at 3.97e+06 assign (resid 55 and name HG1 ) (resid 55 and name HN ) 4.0 2.2 0.7 ! A.261 at 2.05e+06 assign (resid 55 and name HA ) (resid 55 and name HG2 ) 2.5 0.7 0.2 ! B.260 at 1.19e+08 assign (resid 55 and name HA ) (resid 55 and name HG1 ) 3.0 1.2 0.5 ! B.261 at 8.54e+07 assign (resid 55 and name HN ) (resid 56 and name HN ) 2.5 0.7 0.5 ! A.265 at 4.48e+06 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 3.0 1.2 0.7 ! A.267 at 3.33e+06 assign (resid 55 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.4 ! A.269 at 6.83e+06 assign (resid 55 and name HA ) (resid 57 and name HN ) 2.5 0.7 1.3 ! A.620 at 5.42e+06 assign (resid 55 and name HG2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.284 at 1.06e+06 assign (resid 55 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 1.3 ! A.283 at 1.51e+06 assign (resid 55 and name HA ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.291 at 5.49e+06 ! N56 assign (resid 56 and name HA ) (resid 56 and name HB1 ) 2.5 0.7 0.7 ! B.910 at 2.12e+08 assign (resid 56 and name HA ) (resid 56 and name HB2 ) 2.5 0.7 0.3 ! B.549 at 2.45e+08 assign (resid 56 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.6 ! A.268 at 6.83e+06 assign (resid 56 and name HB1 ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.274 at 5.74e+06 assign (resid 56 and name HB2 ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.273 at 8.24e+06 assign (resid 56 and name HB2 ) (resid 56 and name HD22 ) 3.0 1.2 0.8 ! A.554 at 3.18e+06 assign (resid 56 and name HB2 ) (resid 56 and name HD21 ) 3.0 1.2 0.3 ! A.555 at 2.19e+06 assign (resid 56 and name HB1 ) (resid 56 and name HD22 ) 3.0 1.2 1.0 ! A.553 at 3.14e+06 assign (resid 56 and name HB1 ) (resid 56 and name HD21 ) 3.0 1.2 0.3 ! A.552 at 2.40e+06 assign (resid 56 and name HN ) (resid 57 and name HB2 ) 4.0 2.2 1.3 ! A.272 at 1.34e+06 assign (resid 56 and name HN ) (resid 57 and name HE2 ) 4.0 2.2 0.3 ! A.262 at 1.62e+06 assign (resid 56 and name HN ) (resid 57 and name HN ) 2.5 0.7 0.5 ! A.264 at 4.40e+06 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 2.5 0.7 0.5 ! A.614 at 1.34e+06 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 3.0 1.2 1.0 ! A.615 at 1.65e+06 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.621 at 5.42e+06 assign (resid 56 and name HA ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.292 at 5.36e+06 ! Y57 assign (resid 57 and name HA ) (resid 57 and name HB2 ) 2.5 0.7 0.6 ! B.458 at 1.03e+06 assign (resid 57 and name HA ) (resid 57 and name HB1 ) 2.5 0.7 0.3 ! B.459 at 4.29e+06 assign (resid 57 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.5 ! A.622 at 5.42e+06 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.616 at 4.40e+06 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 2.5 0.7 0.5 ! A.618 at 2.63e+06 assign (resid 57 and name HD2 ) (resid 57 and name HN ) 2.5 0.7 0.4 ! A.278 at 1.05e+07 assign (resid 57 and name HE2 ) (resid 57 and name HN ) 3.0 1.2 1.2 ! A.275 at 1.42e+06 assign (resid 57 and name HD1 ) (resid 57 and name HA ) 2.5 0.7 1.0 ! B.84 at 5.67e+07 assign (resid 57 and name HB1 ) (resid 57 and name HD1 ) 2.5 0.7 0.2 ! B.408 at 2.14e+08 assign (resid 57 and name HB1 ) (resid 57 and name HD2 ) 3.0 1.2 0.8 ! B.409 at 2.14e+08 assign (resid 57 and name HB2 ) (resid 57 and name HD1 ) 3.0 1.2 0.8 ! B.415 at 2.25e+08 assign (resid 57 and name HB1 ) (resid 57 and name HE1 ) 4.0 2.2 0.7 ! B.513 at 6.84e+07 assign (resid 57 and name HN ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.276 at 1.04e+07 assign (resid 57 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 0.7 ! A.289 at 1.56e+06 assign (resid 57 and name HB2 ) (resid 58 and name HN ) 3.0 1.2 0.8 ! A.285 at 6.83e+06 assign (resid 57 and name HA ) (resid 58 and name HN ) 2.5 0.7 0.8 ! A.290 at 5.49e+06 ! C58 assign (resid 58 and name HA ) (resid 58 and name HB1 ) 2.5 0.7 0.2 ! B.643 at 1.58e+08 assign (resid 58 and name HA ) (resid 58 and name HB2 ) 3.0 1.2 0.3 ! B.644 at 1.15e+08 assign (resid 58 and name HA ) (resid 58 and name HN ) 2.5 0.7 0.6 ! A.69 at 5.10e+07 assign (resid 58 and name HB1 ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.288 at 3.87e+06 assign (resid 58 and name HB2 ) (resid 58 and name HN ) 2.5 0.7 0.2 ! A.286 at 6.40e+06 assign (resid 58 and name HN ) (resid 59 and name HN ) 4.0 2.2 0.6 ! A.279 at 1.93e+06 assign (resid 58 and name HB2 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.297 at 2.88e+06 assign (resid 58 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.300 at 2.60e+06 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.294 at 6.84e+06 ! G59 assign (resid 59 and name HA# ) (resid 59 and name HN ) 2.5 0.7 0.2 ! A.302 at 7.17e+07 !@ END_XPLR_NOE_FILE
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