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 |
|
|
650714 |
6x4x   |
30755 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: B24Y_DKP_noe_deposit.tbl ! pck2xplr.nawk Table; Input File: B24Y_NOESY.PCK ! Date: Tue Jul 31 14:07:23 EDT 2018 ! Path: /home/yang/data/B24Tyr_DKP/B24Y_sa ! G1 assign (resid 1 and name HA# ) (resid 2 and name HG2# ) 4.0 2.2 2.0 ! A.242 at 9.76e+05 assign (resid 1 and name HA# ) (resid 2 and name HN ) 3.0 1.2 0.5 ! C.142 at 2.37e+07 assign (resid 1 and name HA# ) (resid 3 and name HN ) 3.0 1.2 0.8 ! C.244 at 2.76e+06 assign (resid 1 and name HA# ) (resid 4 and name HN ) 3.0 1.2 1.0 ! B.30 at -6.20e+05 assign (resid 1 and name HA# ) (resid 19 and name HE1 ) 4.0 2.2 1.0 ! A.379 at 1.65e+06 ! I2 assign (resid 2 and name HA ) (resid 2 and name HD1# ) 4.0 2.2 1.5 ! A.23 at 9.63e+05 assign (resid 2 and name HA ) (resid 2 and name HG12 ) 4.0 2.2 1.0 ! A.5 at -7.18e+05 assign (resid 2 and name HD1# ) (resid 2 and name HN ) 4.0 2.2 1.3 ! C.136 at 1.88e+06 assign (resid 2 and name HG2# ) (resid 2 and name HN ) 3.0 1.2 0.5 ! C.137 at 1.62e+07 assign (resid 2 and name HB ) (resid 2 and name HN ) 3.0 1.2 1.0 ! C.140 at 2.91e+06 assign (resid 2 and name HG11 ) (resid 2 and name HN ) 4.0 2.2 0.6 ! C.139 at 2.96e+06 assign (resid 2 and name HG12 ) (resid 2 and name HN ) 4.0 2.2 0.5 ! D.72 at 8.43e+08 assign (resid 2 and name HG2# ) (resid 3 and name HG2# ) 2.5 0.7 1.2 ! A.45 at 6.70e+06 assign (resid 2 and name HG12 ) (resid 3 and name HG2# ) 4.0 2.2 1.5 ! A.81 at -6.59e+05 assign (resid 2 and name HG11 ) (resid 3 and name HN ) 4.0 2.2 1.5 ! A.12 at 4.73e+05 assign (resid 2 and name HG2# ) (resid 3 and name HG1# ) 4.0 2.2 2.0 ! A.10 at 9.51e+05 assign (resid 2 and name HG2# ) (resid 3 and name HB ) 4.0 2.2 1.5 ! A.9 at -8.54e+05 assign (resid 2 and name HG2# ) (resid 3 and name HN ) 3.0 1.2 0.8 ! B.19 at 4.06e+06 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.0 1.2 1.0 ! C.46 at 5.17e+06 assign (resid 2 and name HN ) (resid 3 and name HG2# ) 4.0 2.2 1.5 ! C.138 at 3.06e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.0 1.2 1.0 ! C.245 at 3.22e+06 !assign (resid 2 and name HG2# ) (resid 4 and name HN ) 4.0 2.2 1.5 ! B.36 at 5.05e+05 assign (resid 2 and name HA ) (resid 4 and name HN ) 3.0 1.2 1.0 ! C.246 at 2.55e+06 !assign (resid 2 and name HG2# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! C.177 at 1.12e+06 assign (resid 2 and name HG12 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! C.181 at 2.71e+06 assign (resid 2 and name HG11 ) (resid 6 and name HN ) 4.0 2.2 0.5 ! C.183 at 1.25e+06 assign (resid 2 and name HD1# ) (resid 16 and name HD2# ) 4.0 2.2 2.0 ! A.18 at -8.21e+05 assign (resid 2 and name HD1# ) (resid 16 and name HD1# ) 3.0 1.2 1.5 ! A.100 at -1.44e+06 !assign (resid 2 and name HG2# ) (resid 19 and name HD2 ) 3.0 1.2 1.0 ! C.446 at 5.48e+06 assign (resid 2 and name HD1# ) (resid 19 and name HB1 ) 4.0 2.2 0.5 ! A.366 at -7.76e+05 assign (resid 2 and name HD1# ) (resid 19 and name HB2 ) 4.0 2.2 0.5 ! A.362 at -6.89e+05 assign (resid 2 and name HG12 ) (resid 19 and name HE2 ) 4.0 2.2 1.0 ! A.388 at 5.35e+05 assign (resid 2 and name HG11 ) (resid 19 and name HE2 ) 3.0 1.2 0.5 ! A.389 at 5.01e+05 assign (resid 2 and name HG2# ) (resid 19 and name HE2 ) 4.0 2.2 1.5 ! A.385 at -1.23e+06 assign (resid 2 and name HD1# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.202 at 4.57e+05 assign (resid 2 and name HN ) (resid 19 and name HE1 ) 3.0 1.2 1.0 ! C.99 at 1.01e+06 assign (resid 2 and name HD1# ) (resid 19 and name HE2 ) 3.0 1.2 1.0 ! D.12 at 1.09e+06 assign (resid 2 and name HD1# ) (resid 19 and name HD2 ) 3.0 1.2 0.8 ! D.26 at 2.67e+06 assign (resid 2 and name HB ) (resid 19 and name HD1 ) 3.0 1.2 1.3 ! D.36 at 7.36e+05 assign (resid 2 and name HB ) (resid 19 and name HE1 ) 3.0 1.2 0.5 ! D.65 at 1.00e+06 assign (resid 2 and name HG11 ) (resid 32 and name HD1# ) 4.0 2.2 1.0 ! A.55 at -6.67e+05 assign (resid 2 and name HG12 ) (resid 32 and name HD1# ) 3.0 1.2 1.0 ! A.56 at -8.33e+05 assign (resid 2 and name HG12 ) (resid 32 and name HD2# ) 3.0 1.2 1.0 ! A.70 at 9.15e+05 assign (resid 2 and name HG2# ) (resid 32 and name HD1# ) 4.0 2.2 1.5 ! A.58 at 2.22e+06 assign (resid 2 and name HG2# ) (resid 32 and name HD2# ) 4.0 2.2 0.5 ! A.61 at -4.06e+06 assign (resid 2 and name HD1# ) (resid 32 and name HD1# ) 3.0 1.2 1.3 ! A.57 at 1.72e+06 assign (resid 2 and name HD1# ) (resid 32 and name HD2# ) 4.0 2.2 0.8 ! A.63 at -1.88e+06 assign (resid 2 and name HD1# ) (resid 36 and name HG ) 4.0 2.2 1.0 ! A.20 at -4.20e+05 assign (resid 2 and name HD1# ) (resid 36 and name HD2# ) 4.0 1.2 0.5 ! A.16 at -2.02e+06 assign (resid 2 and name HD1# ) (resid 36 and name HD1# ) 4.0 1.2 0.5 ! A.17 at -1.24e+06 assign (resid 2 and name HG2# ) (resid 36 and name HD1# ) 4.0 2.2 2.0 ! A.120 at -5.51e+05 assign (resid 2 and name HG2# ) (resid 47 and name HD1 ) 3.0 1.2 0.8 ! C.109 at 1.96e+06 assign (resid 2 and name HG2# ) (resid 47 and name HE1 ) 3.0 1.2 0.4 ! C.477 at 4.28e+06 assign (resid 2 and name HD1# ) (resid 47 and name HD1 ) 3.0 1.2 1.3 assign (resid 2 and name HD1# ) (resid 47 and name HE1 ) 4.0 2.2 0.8 assign (resid 2 and name HG12 ) (resid 47 and name HE1 ) 3.0 1.2 1.2 ! D.64 at 3.07e+06 assign (resid 2 and name HG2# ) (resid 47 and name HA ) 4.0 2.2 0.5 assign (resid 2 and name HN ) (resid 51 and name HG2# ) 4.0 2.2 1.5 ! D.76 at 7.11e+08 ! V3 assign (resid 3 and name HA ) (resid 3 and name HG2# ) 3.0 1.2 1.0 ! A.44 at 7.57e+06 assign (resid 3 and name HA ) (resid 3 and name HG1# ) 3.0 1.2 1.0 ! A.28 at 4.94e+06 assign (resid 3 and name HA ) (resid 3 and name HB ) 3.0 1.2 1.0 ! 4D CC assign (resid 3 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.5 ! 4D CN assign (resid 3 and name HB ) (resid 3 and name HN ) 2.5 0.7 0.4 ! B.20 at -6.79e+06 assign (resid 3 and name HG1# ) (resid 3 and name HN ) 3.0 1.2 1.2 ! B.21 at 2.53e+06 assign (resid 3 and name HG2# ) (resid 3 and name HN ) 3.0 1.2 1.0 ! B.22 at 7.69e+06 !assign (resid 3 and name HG2# ) (resid 4 and name HB# ) 4.0 2.2 2.0 ! A.574 at -9.71e+05 assign (resid 3 and name HG1# ) (resid 4 and name HA ) 3.0 1.2 1.8 ! A.37 at 1.41e+06 assign (resid 3 and name HG1# ) (resid 4 and name HG2 ) 3.0 1.2 1.8 ! A.173 at -1.54e+06 assign (resid 3 and name HG2# ) (resid 4 and name HN ) 3.0 1.2 1.2 ! B.34 at 1.91e+06 assign (resid 3 and name HG1# ) (resid 4 and name HN ) 2.5 0.7 1.9 ! B.33 at 3.20e+06 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.0 1.2 1.0 ! B.28 at 1.23e+06 assign (resid 3 and name HB ) (resid 4 and name HN ) 3.0 1.2 1.0 ! B.37 at -6.53e+06 assign (resid 3 and name HN ) (resid 4 and name HA ) 4.0 2.2 1.5 ! C.253 at 1.46e+07 !assign (resid 3 and name HG2# ) (resid 5 and name HN ) 3.0 1.2 1.0 ! C.179 at 1.18e+06 assign (resid 3 and name HG1# ) (resid 7 and name HB1 ) 3.0 1.2 1.0 ! A.42 at -4.31e+06 assign (resid 3 and name HG1# ) (resid 7 and name HB2 ) 3.0 1.2 1.0 ! A.41 at -4.26e+06 assign (resid 3 and name HA ) (resid 7 and name HB1 ) 3.0 1.2 1.0 ! 4D CC assign (resid 3 and name HG2# ) (resid 7 and name HB1 ) 4.0 2.2 2.5 ! 4D CC assign (resid 3 and name HA ) (resid 7 and name HN ) 3.0 1.2 0.5 ! C.158 at 1.40e+06 assign (resid 3 and name HG1# ) (resid 7 and name HN ) 4.0 2.2 1.0 ! C.184 at 2.20e+06 assign (resid 3 and name HA ) (resid 32 and name HD2# ) 3.0 1.2 1.0 ! A.66 at -1.10e+06 assign (resid 3 and name HG1# ) (resid 32 and name HD2# ) 4.0 2.2 1.0 ! A.59 at 1.15e+06 assign (resid 3 and name HG2# ) (resid 32 and name HD2# ) 3.0 1.2 1.5 ! A.79 at -4.00e+07 assign (resid 3 and name HG2# ) (resid 47 and name HE1 ) 3.0 1.2 1.0 ! C.479 at 7.00e+06 assign (resid 3 and name HG2# ) (resid 47 and name HD1 ) 4.0 2.2 1.2 ! D.34 at 1.42e+06 ! E4 assign (resid 4 and name HG2 ) (resid 4 and name HA ) 3.0 1.2 1.0 ! A.36 at -4.99e+06 assign (resid 4 and name HG1 ) (resid 4 and name HA ) 3.0 1.2 0.7 ! A.34 at -1.88e+06 assign (resid 4 and name HG2 ) (resid 4 and name HN ) 2.5 0.7 0.8 ! B.32 at -3.56e+06 assign (resid 4 and name HG1 ) (resid 4 and name HN ) 2.5 0.7 0.8 ! B.31 at -2.01e+06 assign (resid 4 and name HB# ) (resid 4 and name HN ) 2.5 0.7 0.8 ! B.27 at -8.02e+06 assign (resid 4 and name HG1 ) (resid 5 and name HN ) 4.0 2.2 0.5 ! C.173 at 1.46e+06 assign (resid 4 and name HB# ) (resid 5 and name HN ) 3.0 1.2 1.0 ! C.175 at 5.61e+06 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.0 1.2 0.5 ! C.257 at 1.86e+06 assign (resid 4 and name HA ) (resid 7 and name HN ) 3.0 1.2 1.5 ! C.258 at 1.27e+06 assign (resid 4 and name HA ) (resid 8 and name HB ) 3.0 1.2 1.0 ! A.38 at -2.94e+06 !assign (resid 4 and name HN ) (resid 8 and name HG2# ) 4.0 2.2 2.5 ! B.35 at 5.95e+05 ! Q5 assign (resid 5 and name HA ) (resid 5 and name HB1 ) 2.5 0.7 0.8 ! C.81 at 1.42e+07 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 2.5 0.7 0.8 ! C.82 at 1.08e+07 assign (resid 5 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.8 ! C.79 at 2.88e+06 assign (resid 5 and name HG2 ) (resid 5 and name HN ) 4.0 2.2 1.0 ! C.174 at 1.17e+06 assign (resid 5 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 1.0 ! C.176 at 3.54e+06 assign (resid 5 and name HG2 ) (resid 5 and name HA ) 3.0 1.2 1.0 ! A.178 at -7.10e+06 assign (resid 5 and name HG1 ) (resid 5 and name HA ) 3.0 1.2 1.0 ! A.176 at -5.87e+06 assign (resid 5 and name HB1 ) (resid 5 and name HE21 ) 2.5 0.7 1.0 ! B.449 at -3.79e+06 assign (resid 5 and name HB2 ) (resid 5 and name HE21 ) 2.5 0.7 0.8 ! B.447 at -3.79e+06 assign (resid 5 and name HG2 ) (resid 5 and name HE21 ) 2.5 0.7 0.8 ! B.451 at -4.20e+06 assign (resid 5 and name HG1 ) (resid 5 and name HE21 ) 2.5 0.7 0.8 ! B.450 at -4.20e+06 assign (resid 5 and name HA ) (resid 5 and name HE21 ) 3.0 1.2 1.5 ! B.456 at 6.70e+05 assign (resid 5 and name HG2 ) (resid 5 and name HE22 ) 3.0 1.2 1.0 ! B.455 at -2.96e+06 assign (resid 5 and name HG1 ) (resid 5 and name HE22 ) 3.0 1.2 1.0 ! B.454 at -2.77e+06 assign (resid 5 and name HB1 ) (resid 5 and name HE22 ) 3.0 1.2 1.5 ! B.453 at -9.88e+05 assign (resid 5 and name HB2 ) (resid 5 and name HE22 ) 3.0 1.2 1.5 ! B.452 at -9.88e+05 assign (resid 5 and name HG2 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! B.43 at -4.32e+05 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.0 1.2 1.0 ! C.156 at 5.67e+06 assign (resid 5 and name HG1 ) (resid 6 and name HN ) 3.0 1.2 1.5 ! C.170 at 1.10e+06 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 3.0 1.2 1.0 ! C.171 at 4.53e+06 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 3.0 1.2 1.0 ! C.172 at 4.55e+06 assign (resid 5 and name HA ) (resid 9 and name HB2 ) 3.0 1.2 1.0 ! C.172 at 4.55e+06 ! C6 assign (resid 6 and name HA ) (resid 6 and name HN ) 2.5 0.7 0.8 ! C.157 at 2.18e+06 assign (resid 6 and name HB1 ) (resid 6 and name HN ) 3.0 1.2 0.5 ! C.167 at 5.45e+06 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 2.5 0.7 0.8 ! C.166 at 5.01e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 1.0 ! C.189 at 2.05e+06 assign (resid 6 and name HA ) (resid 11 and name HN ) 3.0 1.2 0.8 ! C.3 at 1.96e+06 assign (resid 6 and name HB1 ) (resid 27 and name HN ) 3.0 1.2 1.0 ! D.62 at 2.44e+08 assign (resid 6 and name HN ) (resid 32 and name HD1# ) 4.0 2.2 2.0 ! C.178 at 9.26e+05 assign (resid 6 and name HN ) (resid 32 and name HD2# ) 4.0 2.2 1.0 ! C.187 at 2.18e+06 assign (resid 6 and name HA ) (resid 11 and name HB2 ) 3.0 1.2 1.8 ! C7 assign (resid 7 and name HA ) (resid 7 and name HB1 ) 3.0 1.2 0.8 ! C.162 at 4.74e+06 assign (resid 7 and name HA ) (resid 7 and name HB2 ) 2.5 0.7 0.8 ! C.161 at 5.28e+06 assign (resid 7 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 1.0 ! B.28 at 2.56e+05 assign (resid 7 and name HB1 ) (resid 7 and name HN ) 2.5 0.7 0.8 ! B.29 at 7.11e+05 assign (resid 7 and name HB1 ) (resid 8 and name HN ) 3.0 1.2 0.5 ! C.222 at 1.07e+06 assign (resid 7 and name HB2 ) (resid 8 and name HN ) 2.5 0.7 0.8 ! C.305 at 2.22e+06 assign (resid 7 and name HA ) (resid 26 and name HB2 ) 4.0 2.2 1.0 ! A.437 at -6.35e+05 assign (resid 7 and name HA ) (resid 26 and name HB1 ) 3.0 1.2 1.0 ! A.433 at -6.42e+05 assign (resid 7 and name HA ) (resid 27 and name HN ) 3.0 1.2 1.0 ! C.23 at 2.25e+06 assign (resid 7 and name HB1 ) (resid 28 and name HB2 ) 4.0 2.2 2.0 ! A.506 at -2.91e+05 assign (resid 7 and name HB1 ) (resid 28 and name HB1 ) 3.0 1.2 2.0 ! A.507 at -1.63e+05 !assign (resid 7 and name HB2 ) (resid 28 and name HB1 ) 4.0 2.2 2.0 ! A.506 at -2.91e+05 !assign (resid 7 and name HB2 ) (resid 28 and name HB2 ) 4.0 2.2 2.0 ! A.507 at -1.63e+05 assign (resid 7 and name HN ) (resid 32 and name HD2# ) 4.0 2.2 1.0 ! C.186 at 2.16e+06 ! T8 assign (resid 8 and name HA ) (resid 8 and name HN ) 2.5 0.7 0.7 ! C.163 at 1.75e+06 assign (resid 8 and name HA ) (resid 8 and name HB ) 2.5 0.7 0.7 ! C.96 at 1.60e+07 assign (resid 8 and name HA ) (resid 8 and name HG2# ) 2.5 0.7 0.7 ! A.189 at 1.01e+07 assign (resid 8 and name HB ) (resid 8 and name HN ) 2.5 0.7 0.8 ! C.218 at 2.41e+06 assign (resid 8 and name HG2# ) (resid 8 and name HN ) 3.0 1.2 1.3 ! C.358 at 3.62e+06 assign (resid 8 and name HG2# ) (resid 9 and name HB1 ) 4.0 2.2 2.0 ! A.197 at 7.70e+06 assign (resid 8 and name HG2# ) (resid 9 and name HB2 ) 4.0 2.2 2.0 ! A.195 at 4.16e+06 assign (resid 8 and name HB ) (resid 9 and name HB1 ) 3.0 1.2 1.8 ! A.192 at -1.47e+06 assign (resid 8 and name HN ) (resid 9 and name HB2 ) 4.0 2.2 1.0 ! C.223 at 9.10e+05 ! S9 assign (resid 9 and name HA ) (resid 9 and name HN ) 2.5 0.7 0.7 assign (resid 9 and name HA ) (resid 9 and name HB1 ) 2.5 0.7 0.7 assign (resid 9 and name HA ) (resid 9 and name HB2 ) 2.5 0.7 0.7 assign (resid 9 and name HB2 ) (resid 10 and name HB ) 4.0 2.2 1.5 ! A.204 at -7.97e+05 assign (resid 9 and name HB1 ) (resid 10 and name HB ) 4.0 2.2 1.0 ! A.237 at -5.71e+05 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.8 ! B.59 at 3.86e+06 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 2.5 0.7 0.8 ! B.61 at 9.62e+06 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 2.5 0.7 1.4 ! C.301 at 4.29e+06 ! I10 assign (resid 10 and name HA ) (resid 10 and name HG2# ) 2.5 0.7 0.7 ! A.219 at 4.56e+06 assign (resid 10 and name HD1# ) (resid 10 and name HB ) 2.5 0.7 0.7 ! A.208 at -3.54e+06 assign (resid 10 and name HA ) (resid 10 and name HD1# ) 4.0 2.2 1.5 ! A.217 at 7.01e+05 assign (resid 10 and name HA ) (resid 10 and name HG11 ) 4.0 2.2 2.0 ! A.212 at -4.04e+05 assign (resid 10 and name HA ) (resid 10 and name HG12 ) 4.0 2.2 2.0 ! A.214 at -4.49e+05 assign (resid 10 and name HG12 ) (resid 10 and name HN ) 3.0 1.2 1.0 ! B.75 at -7.12e+05 assign (resid 10 and name HG2# ) (resid 10 and name HN ) 3.0 1.2 1.5 ! B.63 at 2.14e+06 assign (resid 10 and name HG11 ) (resid 10 and name HN ) 2.5 0.7 1.0 ! B.76 at -1.72e+06 assign (resid 10 and name HB ) (resid 10 and name HN ) 2.5 0.7 0.8 ! B.62 at -4.77e+06 assign (resid 10 and name HD1# ) (resid 10 and name HN ) 2.5 0.7 2.0 ! C.198 at 2.05e+06 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.0 1.2 1.0 ! C.2 at 2.11e+06 assign (resid 10 and name HG2# ) (resid 11 and name HN ) 3.0 1.2 1.8 ! C.4 at 1.10e+06 assign (resid 10 and name HB ) (resid 11 and name HN ) 3.0 1.2 1.8 assign (resid 10 and name HD1# ) (resid 11 and name HN ) 4.0 2.2 2.0 assign (resid 10 and name HG2# ) (resid 12 and name HA ) 4.0 2.2 1.5 ! A.220 at 8.59e+05 assign (resid 10 and name HG2# ) (resid 24 and name HA ) 2.5 0.7 0.7 ! A.222 at 3.71e+06 assign (resid 10 and name HG2# ) (resid 24 and name HB2 ) 2.5 0.7 1.5 ! A.224 at -5.42e+06 assign (resid 10 and name HG2# ) (resid 24 and name HB1 ) 2.5 0.7 0.7 ! A.225 at -5.42e+06 assign (resid 10 and name HG2# ) (resid 25 and name HA ) 3.0 1.2 1.0 ! A.221 at 1.69e+06 assign (resid 10 and name HG2# ) (resid 25 and name HB2 ) 4.0 2.2 1.8 ! A.226 at -1.99e+06 assign (resid 10 and name HG2# ) (resid 25 and name HB1 ) 4.0 2.2 1.8 ! A.227 at -1.99e+06 assign (resid 10 and name HD1# ) (resid 25 and name HA ) 3.0 1.2 0.8 ! A.218 at 1.19e+06 assign (resid 10 and name HG2# ) (resid 25 and name HN ) 3.0 1.2 1.0 ! C.114 at 2.64e+06 assign (resid 10 and name HG12 ) (resid 25 and name HN ) 4.0 2.2 1.0 ! C.115 at 9.95e+05 assign (resid 10 and name HG2# ) (resid 26 and name HA ) 4.0 2.2 1.5 ! A.223 at 5.99e+05 assign (resid 10 and name HB ) (resid 26 and name HE1 ) 4.0 2.2 1.0 ! D.80 at 1.66e+09 assign (resid 10 and name HG11 ) (resid 26 and name HE1 ) 3.0 1.2 0.3 ! D.74 at 3.41e+09 assign (resid 10 and name HG12 ) (resid 26 and name HE1 ) 4.0 2.2 1.0 ! D.75 at 1.46e+09 assign (resid 10 and name HD1# ) (resid 26 and name HE1 ) 4.0 2.2 1.0 ! C.81 at 4.25e+06 assign (resid 10 and name HD1# ) (resid 26 and name HD2 ) 4.0 2.2 1.0 ! C.95 at 2.90e+06 assign (resid 10 and name HG11 ) (resid 26 and name HD2 ) 3.0 1.2 1.3 ! D.92 at 1.73e+06 assign (resid 10 and name HG12 ) (resid 26 and name HD2 ) 3.0 1.2 0.3 ! C.92 at 1.73e+06 assign (resid 10 and name HG11 ) (resid 26 and name HN ) 4.0 2.2 0.8 ! D.64 at 3.36e+08 assign (resid 10 and name HD1# ) (resid 26 and name HN ) 3.0 1.2 1.3 ! D.65 at 3.81e+08 assign (resid 10 and name HG11 ) (resid 27 and name HN ) 4.0 2.2 1.8 ! E.7 at 2.88e+08 ! C11 assign (resid 11 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 0.8 ! D.22 at 2.39e+08 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.8 ! C.39 at 3.15e+06 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.0 1.2 0.8 ! C.50 at 1.11e+06 assign (resid 11 and name HB1 ) (resid 16 and name HD1# ) 4.0 2.2 1.0 assign (resid 11 and name HB2 ) (resid 16 and name HD1# ) 4.0 2.2 1.0 ! S12 assign (resid 12 and name HA ) (resid 12 and name HB1 ) 2.5 0.7 0.8 ! C.119 at 2.20e+07 assign (resid 12 and name HA ) (resid 12 and name HB2 ) 2.5 0.7 0.8 ! C.120 at 1.89e+07 assign (resid 12 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.8 ! C.112 at 6.36e+06 assign (resid 12 and name HB1 ) (resid 12 and name HN ) 2.5 0.7 1.4 ! C.37 at 3.84e+06 assign (resid 12 and name HB2 ) (resid 12 and name HN ) 2.5 0.7 0.8 ! C.38 at 2.01e+06 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.95 at 3.45e+06 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.96 at 3.24e+06 assign (resid 12 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.8 ! B.93 at 6.14e+06 !assign (resid 12 and name HN ) (resid 13 and name HN ) 3.0 1.2 1.0 ! C.15 at 4.79e+06 assign (resid 12 and name HB1 ) (resid 14 and name HD1 ) 3.0 1.2 1.0 ! A.286 at -8.35e+05 assign (resid 12 and name HB2 ) (resid 14 and name HD1 ) 3.0 1.2 1.0 ! A.244 at -6.83e+05 assign (resid 12 and name HB1 ) (resid 14 and name HN ) 2.5 0.7 0.4 ! B.106 at 2.37e+06 assign (resid 12 and name HB2 ) (resid 14 and name HN ) 3.0 1.2 1.0 ! B.437 at 1.50e+06 assign (resid 12 and name HA ) (resid 14 and name HN ) 3.0 1.2 1.0 ! C.416 at 1.26e+06 assign (resid 12 and name HB1 ) (resid 15 and name HG1 ) 4.0 2.2 1.0 ! A.301 at -5.41e+05 assign (resid 12 and name HA ) (resid 15 and name HN ) 3.0 1.2 1.5 ! B.124 at 5.17e+05 assign (resid 12 and name HB2 ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.121 at 1.12e+06 assign (resid 12 and name HB1 ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.120 at 9.87e+05 assign (resid 12 and name HN ) (resid 15 and name HN ) 3.0 1.2 0.5 ! C.13 at 1.01e+06 assign (resid 12 and name HN ) (resid 15 and name HB1 ) 3.0 1.2 1.0 ! C.51 at 4.04e+06 assign (resid 12 and name HN ) (resid 15 and name HG1 ) 3.0 1.2 0.5 ! C.52 at 1.77e+06 assign (resid 12 and name HN ) (resid 15 and name HB2 ) 3.0 1.2 1.5 ! C.53 at 1.11e+06 ! L13 assign (resid 13 and name HA ) (resid 13 and name HB2 ) 2.5 0.7 0.8 ! C.125 at 3.90e+06 assign (resid 13 and name HA ) (resid 13 and name HB1 ) 3.0 1.2 0.5 ! C.126 at 2.60e+06 assign (resid 13 and name HA ) (resid 13 and name HN ) 3.0 1.2 1.0 ! C.112 at 4.61e+06 assign (resid 13 and name HB1 ) (resid 13 and name HD1# ) 3.0 1.2 1.0 ! A.260 at 8.73e+06 assign (resid 13 and name HB1 ) (resid 13 and name HD2# ) 2.5 0.7 0.8 ! A.259 at 8.73e+06 assign (resid 13 and name HB2 ) (resid 13 and name HD1# ) 3.0 1.2 1.0 ! A.255 at 6.38e+06 assign (resid 13 and name HB2 ) (resid 13 and name HD2# ) 2.5 0.7 1.8 ! A.256 at 6.38e+06 assign (resid 13 and name HG ) (resid 13 and name HA ) 3.0 1.2 1.0 ! A.252 at -1.40e+06 assign (resid 13 and name HD2# ) (resid 13 and name HA ) 4.0 2.2 1.0 ! A.250 at -9.27e+06 assign (resid 13 and name HD1# ) (resid 13 and name HA ) 2.5 0.7 0.7 ! A.251 at -9.27e+06 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 2.5 0.7 0.8 ! B.97 at -6.50e+06 assign (resid 13 and name HG ) (resid 13 and name HN ) 3.0 1.2 1.5 ! B.98 at -1.82e+06 assign (resid 13 and name HD1# ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.434 at -1.37e+06 assign (resid 13 and name HD2# ) (resid 13 and name HN ) 4.0 2.2 1.0 ! C.60 at 2.25e+06 assign (resid 13 and name HB2 ) (resid 13 and name HN ) 3.0 1.2 1.0 ! C.67 at 1.99e+07 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.102 at 1.09e+06 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.107 at -3.31e+06 assign (resid 13 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 2.0 ! B.433 at -7.25e+05 assign (resid 13 and name HG ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.432 at -7.45e+05 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! C.16 at 4.83e+06 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 3.0 1.2 0.5 ! C.432 at 7.70e+06 assign (resid 13 and name HD2# ) (resid 14 and name HN ) 4.0 2.2 2.0 ! C.443 at 1.27e+06 assign (resid 13 and name HB1 ) (resid 15 and name HN ) 4.0 2.2 1.5 ! B.122 at -6.45e+05 assign (resid 13 and name HA ) (resid 16 and name HB1 ) 2.5 0.7 0.8 ! A.317 at -2.11e+06 assign (resid 13 and name HA ) (resid 16 and name HB2 ) 2.5 0.7 0.8 ! A.246 at -1.64e+06 assign (resid 13 and name HA ) (resid 16 and name HG ) 4.0 2.2 1.0 ! A.253 at -7.30e+05 assign (resid 13 and name HA ) (resid 16 and name HD2# ) 3.0 1.2 1.0 ! A.249 at -2.52e+06 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.0 1.2 1.0 ! C.367 at 1.72e+06 assign (resid 13 and name HD1# ) (resid 16 and name HD2# ) 4.0 2.2 1.0 ! A.268 at 4.23e+06 assign (resid 13 and name HD1# ) (resid 16 and name HB1 ) 4.0 2.2 1.0 ! A.265 at 1.03e+06 assign (resid 13 and name HD1# ) (resid 17 and name HG1 ) 3.0 1.2 1.2 ! A.264 at 1.53e+06 assign (resid 13 and name HA ) (resid 17 and name HN ) 3.0 1.2 1.0 ! C.366 at 2.55e+06 assign (resid 13 and name HD1# ) (resid 22 and name HD2 ) 3.0 1.2 0.8 ! C.453 at 1.76e+06 assign (resid 13 and name HD1# ) (resid 22 and name HB1 ) 3.0 1.2 1.0 ! A.398 at 9.70e+05 assign (resid 13 and name HD1# ) (resid 22 and name HB2 ) 3.0 1.2 1.0 ! A.263 at 9.89e+05 assign (resid 13 and name HD2# ) (resid 22 and name HB1 ) 4.0 2.2 1.5 ! A.398 at 9.70e+05 assign (resid 13 and name HB2 ) (resid 22 and name HD2 ) 4.0 2.2 1.0 ! A.596 at -7.80e+05 assign (resid 13 and name HG ) (resid 22 and name HD2 ) 4.0 2.2 1.5 ! C.451 at 1.05e+06 assign (resid 13 and name HD2# ) (resid 22 and name HD2 ) 4.0 2.2 1.5 ! C.452 at 2.56e+06 assign (resid 13 and name HD1# ) (resid 22 and name HE2 ) 4.0 2.2 1.0 ! C.448 at 2.04e+06 assign (resid 13 and name HD1# ) (resid 22 and name HZ ) 4.0 2.2 1.7 ! A.406 at 8.47e+05 !assign (resid 13 and name HD2# ) (resid 23 and name HN ) 3.0 1.2 1.0 ! C.421 at 1.65e+06 !assign (resid 13 and name HD1# ) (resid 27 and name HD1# ) 4.0 2.2 2.0 ! A.486 at 2.07e+07 !assign (resid 13 and name HD1# ) (resid 35 and name HB# ) 4.0 2.2 2.0 ! A.608 at -1.53e+06 assign (resid 13 and name HA ) (resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.248 at 7.99e+05 assign (resid 13 and name HA ) (resid 39 and name HG2# ) 4.0 2.2 1.0 ! A.247 at 7.71e+05 assign (resid 13 and name HG ) (resid 39 and name HG2# ) 4.0 2.2 1.0 ! A.698 at -7.95e+05 assign (resid 13 and name HD1# ) (resid 39 and name HG1# ) 4.0 2.2 1.0 ! A.700 at -4.58e+06 assign (resid 13 and name HD1# ) (resid 39 and name HG2# ) 3.0 1.2 1.0 ! A.679 at -1.12e+07 assign (resid 13 and name HD1# ) (resid 39 and name HA ) 4.0 2.2 1.5 ! A.672 at -9.24e+05 assign (resid 13 and name HD2# ) (resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.678 at -1.12e+07 !assign (resid 13 and name HB1 ) (resid 39 and name HG2# ) 4.0 2.2 2.0 ! A.599 at 3.28e+06 !assign (resid 13 and name HB2 ) (resid 39 and name HG1# ) 4.0 2.2 2.0 ! A.688 at 2.12e+06 !assign (resid 13 and name HD1# ) (resid 39 and name HN ) 4.0 2.2 2.0 ! C.135 at 1.06e+06 ! Y14 assign (resid 14 and name HA ) (resid 14 and name HB# ) 2.5 0.7 0.4 ! C.137 at 4.66e+06 assign (resid 14 and name HA ) (resid 14 and name HN ) 2.5 0.7 0.5 ! C.138 at 3.72e+06 assign (resid 14 and name HB# ) (resid 14 and name HD1 ) 2.5 0.7 0.7 ! A.283 at 1.90e+07 assign (resid 14 and name HB# ) (resid 14 and name HD2 ) 2.5 0.7 0.7 ! A.283 at 1.90e+07 assign (resid 14 and name HA ) (resid 14 and name HD2 ) 2.5 0.7 0.8 ! A.285 at -7.29e+06 assign (resid 14 and name HE1 ) (resid 14 and name HB# ) 4.0 2.2 1.5 ! A.276 at 1.60e+06 assign (resid 14 and name HE2 ) (resid 14 and name HB# ) 4.0 2.2 1.0 ! A.276 at 1.60e+06 !assign (resid 14 and name HA ) (resid 14 and name HE# ) 4.0 2.2 1.0 ! A.289 at -8.15e+05 assign (resid 14 and name HB# ) (resid 14 and name HN ) 3.0 1.2 0.9 ! B.100 at -1.05e+07 assign (resid 14 and name HD1 ) (resid 14 and name HN ) 2.5 0.7 0.6 ! B.436 at -2.28e+06 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.117 at 2.36e+06 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! D.5 at -3.79e+06 assign (resid 14 and name HB# ) (resid 15 and name HN ) 3.0 1.2 0.8 ! B.119 at -6.52e+06 assign (resid 14 and name HD1 ) (resid 15 and name HG2 ) 4.0 2.2 1.0 ! A.303 at 6.77e+05 assign (resid 14 and name HD1 ) (resid 15 and name HG1 ) 3.0 1.2 0.3 ! A.288 at 1.70e+06 assign (resid 14 and name HD2 ) (resid 15 and name HA ) 3.0 1.2 0.5 ! A.284 at -1.14e+06 assign (resid 14 and name HE2 ) (resid 15 and name HG2 ) 3.0 2.2 1.0 ! A.304 at 4.94e+05 assign (resid 14 and name HD1 ) (resid 15 and name HB2 ) 4.0 2.2 1.5 ! 4dCC assign (resid 14 and name HA ) (resid 17 and name HB2 ) 2.5 0.7 0.4 ! A.273 at -2.19e+06 assign (resid 14 and name HA ) (resid 17 and name HG1 ) 4.0 2.2 1.0 ! 4dCC assign (resid 14 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.7 ! B.170 at 7.56e+05 !!assign (resid 14 and name HB# ) (resid 17 and name HB2 ) 4.0 2.2 1.5 ! A.278 at 7.45e+05 assign (resid 14 and name HD2 ) (resid 17 and name HB2 ) 4.0 2.2 1.8 ! A.280 at 1.21e+06 assign (resid 14 and name HE2 ) (resid 18 and name HD21 ) 3.0 1.2 1.3 ! B.474 at -5.78e+05 assign (resid 14 and name HD2 ) (resid 18 and name HD21 ) 4.0 2.2 1.0 ! B.473 at -9.74e+05 ! Q15 assign (resid 15 and name HA ) (resid 15 and name HB2 ) 3.0 1.2 0.8 ! C.170 at 3.45e+06 assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.5 0.7 0.8 ! C.171 at 7.35e+06 assign (resid 15 and name HA ) (resid 15 and name HN ) 2.5 0.7 0.8 ! B.82 at -1.23e+06 assign (resid 15 and name HG1 ) (resid 15 and name HA ) 2.5 0.7 1.2 ! A.293 at -6.59e+06 assign (resid 15 and name HG2 ) (resid 15 and name HA ) 3.0 1.2 0.8 ! A.292 at -6.47e+06 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 3.0 1.2 0.5 ! B.128 at -6.91e+06 assign (resid 15 and name HG1 ) (resid 15 and name HN ) 2.5 0.7 1.2 ! B.123 at -9.27e+06 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 1.0 ! B.127 at -1.10e+07 !assign (resid 15 and name HA ) (resid 15 and name HE22 ) 2.5 0.7 0.8 ! B.466 at 1.22e+06 assign (resid 15 and name HB2 ) (resid 15 and name HE22 ) 2.5 0.7 0.8 ! B.462 at -2.26e+06 assign (resid 15 and name HG2 ) (resid 15 and name HE22 ) 3.0 1.2 1.0 ! B.464 at -1.05e+07 assign (resid 15 and name HA ) (resid 15 and name HE21 ) 4.0 2.2 1.5 ! B.445 at 1.41e+06 assign (resid 15 and name HG1 ) (resid 15 and name HE21 ) 2.5 0.7 0.8 ! B.461 at -3.21e+06 assign (resid 15 and name HG2 ) (resid 15 and name HE21 ) 2.5 0.7 0.8 ! B.459 at -4.38e+06 assign (resid 15 and name HB2 ) (resid 15 and name HE21 ) 2.5 0.7 0.8 ! C.438 at 5.10e+06 assign (resid 15 and name HG2 ) (resid 15 and name HN ) 2.5 0.7 0.8 ! C.433 at 4.29e+06 assign (resid 15 and name HB1 ) (resid 15 and name HE21 ) 2.5 0.7 1.0 ! C.439 at 4.32e+06 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.0 1.2 1.0 ! B.145 at -3.55e+06 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.0 1.2 1.0 ! B.144 at -3.21e+06 assign (resid 15 and name HN ) (resid 16 and name HN ) 3.0 1.2 1.0 ! C.363 at 7.15e+06 assign (resid 15 and name HN ) (resid 17 and name HN ) 3.0 1.2 1.0 ! D.6 at -6.71e+06 assign (resid 15 and name HA ) (resid 18 and name HB1 ) 3.0 1.2 0.3 ! A.349 at -1.31e+06 assign (resid 15 and name HA ) (resid 18 and name HB2 ) 3.0 1.2 0.3 ! A.345 at -1.58e+06 assign (resid 15 and name HA ) (resid 18 and name HD21 ) 3.0 1.2 1.0 ! B.470 at 1.17e+06 assign (resid 15 and name HA ) (resid 18 and name HD22 ) 3.0 1.2 1.0 ! B.467 at 7.44e+05 assign (resid 15 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5 ! C.404 at 1.78e+06 !assign (resid 15 and name HG1 ) (resid 19 and name HE1 ) 4.0 2.2 2.0 ! A.300 at 4.66e+05 !assign (resid 15 and name HB2 ) (resid 19 and name HE1 ) 3.0 1.2 1.0 ! A.387 at 2.91e+06 ! L16 assign (resid 16 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.8 ! B.105 at -1.37e+06 assign (resid 16 and name HD2# ) (resid 16 and name HB1 ) 2.5 0.7 0.7 ! A.312 at 5.63e+06 assign (resid 16 and name HD1# ) (resid 16 and name HB1 ) 3.0 1.2 0.7 ! A.313 at 3.28e+06 assign (resid 16 and name HD2# ) (resid 16 and name HB2 ) 2.5 0.7 0.7 ! A.326 at 2.91e+06 assign (resid 16 and name HD1# ) (resid 16 and name HB2 ) 2.5 0.7 0.7 ! A.324 at 3.05e+06 assign (resid 16 and name HG ) (resid 16 and name HA ) 3.0 1.2 0.3 ! A.307 at -1.43e+06 assign (resid 16 and name HD2# ) (resid 16 and name HA ) 3.0 1.2 1.5 ! A.305 at -2.42e+06 assign (resid 16 and name HD1# ) (resid 16 and name HA ) 3.0 1.2 1.0 ! A.306 at -5.46e+06 assign (resid 16 and name HD2# ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.147 at -1.31e+06 assign (resid 16 and name HB2 ) (resid 16 and name HN ) 2.5 0.7 0.8 ! B.136 at -2.39e+06 assign (resid 16 and name HG ) (resid 16 and name HN ) 3.0 1.2 1.6 ! B.146 at -4.33e+06 assign (resid 16 and name HB1 ) (resid 16 and name HN ) 2.5 0.7 0.8 ! B.137 at -5.86e+06 assign (resid 16 and name HD1# ) (resid 16 and name HN ) 2.5 0.7 1.9 ! B.148 at -1.31e+06 assign (resid 16 and name HD1# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! B.164 at -6.02e+05 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 1.0 ! C.364 at 1.46e+07 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.0 1.2 1.0 ! D8 at -2.00e+07 assign (resid 16 and name HN ) (resid 18 and name HN ) 3.0 1.2 1.2 assign (resid 16 and name HA ) (resid 19 and name HD2 ) 4.0 2.2 2.0 ! A.375 at -4.22e+06 assign (resid 16 and name HA ) (resid 19 and name HB2 ) 3.0 1.2 1.0 ! A.355 at -1.53e+06 assign (resid 16 and name HA ) (resid 19 and name HE2 ) 4.0 2.2 2.0 ! A.380 at -1.65e+06 assign (resid 16 and name HD1# ) (resid 19 and name HD2 ) 4.0 2.2 1.5 ! A.169 at 6.73e+05 assign (resid 16 and name HD1# ) (resid 19 and name HE2 ) 4.0 2.2 1.5 ! A.168 at 8.18e+05 assign (resid 16 and name HG ) (resid 19 and name HN ) 4.0 2.2 1.5 ! C.210 at 4.28e+06 assign (resid 16 and name HA ) (resid 19 and name HN ) 3.0 1.2 1.0 ! C.233 at 3.81e+06 !assign (resid 16 and name HD2# ) (resid 27 and name HB1 ) 2.5 0.7 2.7 ! A.331 at -3.79e+06 assign (resid 16 and name HD1# ) (resid 32 and name HA ) 4.0 2.2 1.5 ! A.544 at -1.62e+06 assign (resid 16 and name HD1# ) (resid 32 and name HD1# ) 3.0 1.2 1.0 ! A.561 at 2.30e+07 assign (resid 16 and name HD2# ) (resid 32 and name HA ) 4.0 2.2 1.6 ! A.542 at -1.63e+06 assign (resid 16 and name HD2# ) (resid 32 and name HD1# ) 4.0 2.2 1.2 ! A.560 at -4.11e+06 assign (resid 16 and name HD2# ) (resid 35 and name HB# ) 3.0 1.2 1.0 ! A.606 at -1.85e+07 assign (resid 16 and name HD1# ) (resid 35 and name HB# ) 4.0 2.2 1.0 ! A.93 at -6.23e+06 assign (resid 16 and name HD2# ) (resid 35 and name HN ) 4.0 2.2 2.0 ! C.204 at 2.62e+06 assign (resid 16 and name HA ) (resid 36 and name HD2# ) 3.0 1.2 1.0 ! A.131 at -1.90e+06 assign (resid 16 and name HB1 ) (resid 36 and name HD2# ) 4.0 2.2 1.0 ! A.134 at 8.92e+05 assign (resid 16 and name HB2 ) (resid 36 and name HD2# ) 4.0 2.2 1.5 ! A.133 at 2.57e+06 assign (resid 16 and name HG ) (resid 36 and name HD2# ) 3.0 1.2 1.0 ! A.142 at 9.26e+05 assign (resid 16 and name HD1# ) (resid 36 and name HD2# ) 3.0 1.2 1.0 ! A.144 at 4.83e+06 assign (resid 16 and name HD1# ) (resid 36 and name HG ) 3.0 1.2 0.8 ! A.329 at 1.40e+06 assign (resid 16 and name HD1# ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.337 at -7.35e+05 assign (resid 16 and name HD2# ) (resid 36 and name HA ) 3.0 1.2 1.2 ! A.613 at -6.18e+05 assign (resid 16 and name HD2# ) (resid 36 and name HD2# ) 4.0 2.2 1.0 ! A.141 at 2.81e+06 assign (resid 16 and name HD2# ) (resid 36 and name HN ) 4.0 2.2 0.8 ! B.334 at -6.61e+05 assign (resid 16 and name HB1 ) (resid 39 and name HB ) 3.0 1.2 1.2 ! A.659 at 2.12e+06 assign (resid 16 and name HB1 ) (resid 39 and name HG1# ) 3.0 1.2 1.0 ! A.686 at -3.61e+06 assign (resid 16 and name HB1 ) (resid 39 and name HG2# ) 3.0 1.2 1.0 ! A.315 at -2.73e+06 assign (resid 16 and name HB2 ) (resid 39 and name HB ) 4.0 2.2 1.6 ! A.325 at 5.25e+05 assign (resid 16 and name HB2 ) (resid 39 and name HG1# ) 4.0 2.2 1.6 ! A.685 at -1.81e+06 assign (resid 16 and name HB2 ) (resid 39 and name HG2# ) 4.0 2.2 1.0 ! A.323 at -1.36e+06 assign (resid 16 and name HG ) (resid 39 and name HG2# ) 3.0 1.2 0.8 ! A.327 at -1.08e+06 assign (resid 16 and name HD1# ) (resid 39 and name HB ) 4.0 2.2 1.8 ! A.99 at 7.53e+05 assign (resid 16 and name HD1# ) (resid 39 and name HG2# ) 4.0 2.2 1.5 ! A.94 at -3.80e+06 assign (resid 16 and name HD2# ) (resid 39 and name HG1# ) 4.0 2.2 1.2 ! A.677 at -5.50e+06 assign (resid 16 and name HD2# ) (resid 39 and name HG2# ) 3.0 1.2 0.7 ! A.333 at -3.15e+06 ! E17 assign (resid 17 and name HA ) (resid 17 and name HG1 ) 2.5 0.7 0.8 ! A.341 at -5.39e+06 assign (resid 17 and name HA ) (resid 17 and name HG2 ) 2.5 0.7 0.8 ! A.343 at -3.69e+06 assign (resid 17 and name HB1 ) (resid 17 and name HN ) 3.0 1.2 1.0 ! B.160 at -7.19e+06 assign (resid 17 and name HG1 ) (resid 17 and name HN ) 2.5 0.7 0.8 ! B.169 at -2.88e+06 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 1.0 ! B.175 at 3.20e+06 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.0 1.2 1.0 ! B.430 at -3.62e+06 assign (resid 17 and name HG1 ) (resid 18 and name HN ) 3.0 1.2 1.0 ! B.182 at -9.60e+05 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 1.2 1.0 ! B.177 at -3.76e+06 assign (resid 17 and name HN ) (resid 18 and name HN ) 3.0 1.2 1.0 ! C.362 at 5.84e+06 assign (resid 17 and name HA ) (resid 19 and name HN ) 3.0 1.2 1.0 ! B.187 at 4.40e+06 assign (resid 17 and name HA ) (resid 20 and name HN ) 3.0 1.2 1.0 ! B.427 at 2.40e+06 assign (resid 17 and name HA ) (resid 39 and name HG1# ) 3.0 1.2 1.0 ! A.334 at 7.68e+06 assign (resid 17 and name HA ) (resid 39 and name HG2# ) 4.0 2.2 1.2 ! A.681 at 2.39e+06 assign (resid 17 and name HG1 ) (resid 39 and name HG2# ) 4.0 2.2 0.5 ! A.683 at -1.86e+06 assign (resid 17 and name HG1 ) (resid 39 and name HG1# ) 2.5 0.7 0.7 ! A.694 at -8.97e+06 assign (resid 17 and name HG2 ) (resid 39 and name HG1# ) 2.5 0.7 0.8 ! A.696 at -1.02e+07 assign (resid 17 and name HG2 ) (resid 39 and name HG2# ) 4.0 2.2 1.0 ! A.682 at -1.86e+06 assign (resid 17 and name HN ) (resid 39 and name HG1# ) 4.0 2.2 1.0 ! B.166 at 1.46e+06 ! N18 assign (resid 18 and name HA ) (resid 18 and name HN ) 2.5 0.7 0.8 ! B.124 at 1.17e+06 assign (resid 18 and name HB2 ) (resid 18 and name HN ) 2.5 0.7 0.8 ! B.429 at -1.49e+07 assign (resid 18 and name HB1 ) (resid 18 and name HN ) 2.5 0.7 0.8 ! B.176 at -1.49e+07 assign (resid 18 and name HB2 ) (resid 18 and name HD21 ) 2.5 0.7 0.8 ! B.472 at -3.19e+06 assign (resid 18 and name HB1 ) (resid 18 and name HD21 ) 3.0 1.2 1.0 ! B.471 at -3.19e+06 assign (resid 18 and name HB2 ) (resid 18 and name HD22 ) 2.5 0.7 1.2 ! B.469 at -1.35e+06 assign (resid 18 and name HB1 ) (resid 18 and name HD22 ) 3.0 1.2 1.0 ! B.468 at -1.04e+06 !assign (resid 18 and name HB2 ) (resid 19 and name HD1 ) 4.0 2.2 1.0 ! A.377 at 9.61e+05 !assign (resid 18 and name HB2 ) (resid 19 and name HE1 ) 3.0 1.2 0.3 ! A.384 at 1.43e+06 assign (resid 18 and name HB2 ) (resid 19 and name HE2 ) 4.0 2.2 1.0 ! A.346 at 8.64e+05 assign (resid 18 and name HB2 ) (resid 19 and name HD2 ) 4.0 2.2 1.0 ! A.347 at 6.31e+05 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.0 1.2 1.0 ! B.184 at 3.32e+06 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 3.0 1.2 1.0 ! B.426 at -3.78e+06 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 3.0 1.2 1.0 ! B.194 at -3.78e+06 assign (resid 18 and name HN ) (resid 19 and name HN ) 3.0 1.2 1.0 assign (resid 18 and name HB2 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.161 at 1.90e+05 assign (resid 18 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.160 at 1.90e+05 assign (resid 18 and name HA ) (resid 20 and name HN ) 3.0 1.2 1.0 ! B.494 at 3.56e+06 ! Y19 assign (resid 19 and name HA ) (resid 19 and name HD1 ) 3.0 1.2 0.8 ! A.376 at -2.99e+06 assign (resid 19 and name HE1 ) (resid 19 and name HB1 ) 4.0 2.2 1.0 ! A.369 at 8.28e+05 assign (resid 19 and name HD1 ) (resid 19 and name HB1 ) 3.0 1.2 1.0 ! A.372 at 5.64e+06 assign (resid 19 and name HD2 ) (resid 19 and name HB1 ) 3.0 1.2 1.0 ! A.370 at -5.54e+06 assign (resid 19 and name HE2 ) (resid 19 and name HB2 ) 4.0 2.2 1.0 ! A.361 at 5.17e+05 assign (resid 19 and name HD1 ) (resid 19 and name HB2 ) 3.0 1.2 1.0 ! A.357 at 4.86e+06 assign (resid 19 and name HD2 ) (resid 19 and name HB2 ) 3.0 1.2 1.0 ! A.359 at -4.81e+06 assign (resid 19 and name HA ) (resid 19 and name HE1 ) 4.0 2.2 1.0 ! A.381 at -9.68e+05 assign (resid 19 and name HD1 ) (resid 19 and name HN ) 3.0 1.2 1.8 ! B.424 at -6.18e+06 !assign (resid 19 and name HE1 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.425 at -9.71e+05 assign (resid 19 and name HB2 ) (resid 19 and name HN ) 2.5 0.7 0.8 ! B.193 at -8.63e+06 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.0 1.2 0.8 ! B.195 at -4.68e+06 assign (resid 19 and name HA ) (resid 19 and name HD1 ) 3.0 1.2 0.8 ! D.20 at 4.86e+06 assign (resid 19 and name HN ) (resid 20 and name HA ) 4.0 2.2 1.5 ! B.198 at -4.75e+05 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.5 ! B.428 at 1.03e+06 assign (resid 19 and name HN ) (resid 20 and name HB1 ) 4.0 2.2 0.6 ! C.351 at 1.05e+06 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 3.0 1.2 0.5 ! C.408 at 1.95e+06 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 0.5 ! C.410 at 1.30e+06 assign (resid 19 and name HN ) (resid 20 and name HN ) 2.5 0.7 0.5 assign (resid 19 and name HB1 ) (resid 36 and name HD1# ) 4.0 2.2 0.8 ! A.122 at 2.56e+06 assign (resid 19 and name HB1 ) (resid 36 and name HD2# ) 3.0 1.2 1.0 ! A.367 at 1.99e+06 assign (resid 19 and name HB2 ) (resid 36 and name HD1# ) 3.0 1.2 1.3 ! A.364 at 9.36e+05 assign (resid 19 and name HB2 ) (resid 36 and name HD2# ) 2.5 0.7 0.5 ! A.363 at 2.69e+06 assign (resid 19 and name HD2 ) (resid 36 and name HD2# ) 3.0 1.2 1.0 ! D.23 at 3.55e+06 !!!assign (resid 19 and name HE2 ) (resid 36 and name HD2# ) 4.0 2.2 2.0 ! A.627 at 6.04e+05 assign (resid 19 and name HN ) (resid 36 and name HD2# ) 3.0 1.2 1.2 ! B.207 at -1.17e+06 assign (resid 19 and name HA ) (resid 46 and name HN ) 3.0 1.2 1.5 ! E.98 at 9.63e+08 assign (resid 19 and name HB1 ) (resid 46 and name HN ) 3.0 1.2 1.0 ! C20 assign (resid 20 and name HA ) (resid 20 and name HB1 ) 3.0 1.2 0.5 assign (resid 20 and name HA ) (resid 20 and name HB2 ) 2.5 0.7 0.3 assign (resid 20 and name HB1 ) (resid 20 and name HN ) 2.5 0.7 0.2 ! B.213 at -4.20e+06 assign (resid 20 and name HB2 ) (resid 20 and name HN ) 2.5 0.7 0.5 ! B.212 at -1.58e+06 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.3 ! B.216 at 5.45e+06 assign (resid 20 and name HB2 ) (resid 21 and name HN ) 3.0 1.2 1.0 ! B.217 at -3.21e+06 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 3.0 1.2 1.0 ! B.218 at -1.29e+06 assign (resid 20 and name HN ) (resid 21 and name HN ) 3.0 1.2 1.5 assign (resid 20 and name HN ) (resid 36 and name HD2# ) 4.0 2.2 1.0 ! C.442 at 1.07e+06 assign (resid 20 and name HB2 ) (resid 43 and name HD2 ) 4.0 2.2 1.0 ! A.392 at 1.15e+06 assign (resid 20 and name HB2 ) (resid 43 and name HB2 ) 4.0 2.2 1.5 ! A.393 at 6.31e+05 assign (resid 20 and name HA ) (resid 45 and name HA ) 3.0 1.2 0.4 assign (resid 20 and name HA ) (resid 45 and name HB2 ) 3.0 1.2 1.0 assign (resid 20 and name HB2 ) (resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HB2 ) (resid 45 and name HB1 ) 4.0 2.2 0.6 assign (resid 20 and name HB2 ) (resid 45 and name HB2 ) 3.0 1.2 0.5 !!!!!assign (resid 20 and name HB1 ) (resid 45 and name HA ) 4.0 2.2 2.0 !!!!!!assign ( resid 20 and name HB1 )( resid 46 and name HN ) 4.0 2.2 2.5 ! N21 assign (resid 21 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.5 ! B.215 at 5.34e+06 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 2.5 0.7 0.8 ! B.431 at -7.09e+06 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 2.5 0.7 0.8 ! B.219 at -7.29e+06 assign (resid 21 and name HB1 ) (resid 21 and name HD22 ) 2.5 0.7 1.2 ! B.477 at -5.29e+06 assign (resid 21 and name HB2 ) (resid 21 and name HD22 ) 2.5 0.7 1.2 ! B.479 at -1.06e+07 assign (resid 21 and name HB2 ) (resid 21 and name HD21 ) 2.5 0.7 0.8 ! B.476 at -4.21e+06 assign (resid 21 and name HB1 ) (resid 21 and name HD21 ) 2.5 0.7 0.8 ! B.475 at -3.69e+06 assign (resid 21 and name HN ) (resid 21 and name HD21 ) 4.0 2.2 1.0 assign (resid 21 and name HN ) (resid 21 and name HD22 ) 4.0 2.2 1.5 assign (resid 21 and name HN ) (resid 40 and name HB2 ) 4.0 2.2 1.0 !!!!assign (resid 21 and name HN ) (resid 43 and name HG2 ) 4.0 2.2 2.5 assign (resid 21 and name HD22 ) (resid 44 and name HA1 ) 4.0 2.2 1.0 !assign (resid 21 and name HN ) (resid 39 and name HG2# ) 4.0 2.2 2.5 assign (resid 21 and name HN ) (resid 45 and name HA ) 3.0 1.2 0.3 ! C.213 at 2.32e+06 !!!!assign (resid 21 and name HN ) (resid 45 and name HB1 ) 4.0 2.2 1.0 !!!!assign (resid 21 and name HN ) (resid 45 and name HB2 ) 4.0 2.2 1.0 !!!!assign (resid 21 and name HD21 ) (resid 46 and name HB1 ) 4.0 2.2 2.0 !!!!assign (resid 21 and name HD22 ) (resid 46 and name HB1 ) 4.0 2.2 2.5 assign (resid 21 and name HN ) (resid 44 and name O ) 2.5 0.7 0.2 assign (resid 21 and name N ) (resid 44 and name O ) 2.5 0.7 0.8 assign (resid 20 and name HN ) (resid 17 and name O ) 2.5 0.7 0.2 assign (resid 20 and name N ) (resid 17 and name O ) 2.5 0.7 0.8 assign (resid 19 and name HN ) (resid 16 and name O ) 2.5 0.7 0.2 assign (resid 19 and name N ) (resid 16 and name O ) 2.5 0.7 0.8 ! F22 assign (resid 22 and name HA ) (resid 22 and name HB1 ) 3.0 1.2 0.5 assign (resid 22 and name HA ) (resid 22 and name HB2 ) 2.5 0.7 0.8 assign (resid 22 and name HB1 ) (resid 22 and name HD1 ) 2.5 0.7 0.5 ! A.402 at 1.10e+07 assign (resid 22 and name HB2 ) (resid 22 and name HD2 ) 2.5 0.7 0.5 ! A.401 at 1.10e+07 assign (resid 22 and name HA ) (resid 22 and name HD2 ) 2.5 0.7 0.5 ! A.403 at -2.56e+06 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 1.2 1.0 ! C.215 at 1.63e+07 assign (resid 22 and name HD1 ) (resid 23 and name HG1# ) 3.0 1.2 1.0 ! C.455 at 2.02e+06 assign (resid 22 and name HD1 ) (resid 27 and name HD2# ) 4.0 2.2 2.2 ! A.500 at -6.84e+05 assign (resid 22 and name HZ ) (resid 35 and name HB# ) 4.0 2.2 0.5 ! A.407 at -6.46e+05 assign (resid 22 and name HE1 ) (resid 35 and name HB# ) 4.0 2.2 0.5 ! A.595 at -9.19e+05 assign (resid 22 and name HE2 ) (resid 38 and name HD2# ) 3.0 1.2 1.0 ! A.725 at -3.25e+05 assign (resid 22 and name HE2 ) (resid 39 and name HG2# ) 4.0 2.2 1.0 ! C.449 at 1.02e+06 assign (resid 22 and name HD2 ) (resid 39 and name HG2# ) 4.0 2.2 1.5 ! A.689 at -6.06e+05 ! V23 assign (resid 23 and name HA ) (resid 23 and name HG1# ) 3.0 1.2 1.0 ! A.413 at 1.14e+07 assign (resid 23 and name HA ) (resid 23 and name HG2# ) 3.0 1.2 1.0 ! A.414 at 1.09e+07 assign (resid 23 and name HB ) (resid 23 and name HN ) 3.0 1.2 1.2 ! C.419 at 5.54e+06 assign (resid 23 and name HG1# ) (resid 23 and name HN ) 3.0 1.2 1.5 ! C.420 at 8.67e+06 assign (resid 23 and name HG2# ) (resid 24 and name HB2 ) 4.0 2.2 1.5 ! A.420 at -5.03e+05 assign (resid 23 and name HG2# ) (resid 24 and name HB1 ) 4.0 2.2 2.0 ! A.417 at -8.84e+05 assign (resid 23 and name HA ) (resid 24 and name HN ) 2.5 0.7 0.4 ! B.222 at 4.60e+06 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.0 2.2 1.0 ! C.100 at 1.05e+06 assign (resid 23 and name HB ) (resid 24 and name HN ) 3.0 1.2 2.0 ! C.123 at 3.26e+06 assign (resid 23 and name HG1# ) (resid 24 and name HN ) 4.0 2.2 1.0 ! C.128 at 7.01e+06 !assign (resid 23 and name HG2# ) (resid 25 and name HG1 ) 4.0 2.2 1.5 ! A.430 at -6.17e+05 assign (resid 23 and name HG1# ) (resid 25 and name HB1 ) 3.0 1.2 1.0 ! A.423 at -1.41e+07 !assign (resid 23 and name HG2# ) (resid 25 and name HE22 ) 3.0 1.2 0.8 ! B.493 at 5.91e+05 assign (resid 23 and name HG1# ) (resid 25 and name HN ) 3.0 1.2 1.0 ! C.116 at 1.41e+06 ! N24 assign (resid 24 and name HB1 ) (resid 24 and name HN ) 2.5 0.7 1.0 ! B.227 at -2.54e+06 assign (resid 24 and name HA ) (resid 24 and name HD21 ) 4.0 2.2 1.0 ! B.482 at 7.24e+05 assign (resid 24 and name HB1 ) (resid 24 and name HD21 ) 3.0 1.2 1.0 ! B.481 at -3.66e+06 assign (resid 24 and name HB2 ) (resid 24 and name HD21 ) 3.0 1.2 1.0 ! B.480 at -3.66e+06 assign (resid 24 and name HB2 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! C.125 at 1.06e+07 assign (resid 24 and name HB1 ) (resid 24 and name HD22 ) 3.0 1.2 0.6 ! C.390 at 5.00e+06 assign (resid 24 and name HA ) (resid 25 and name HN ) 3.0 1.2 1.0 ! B.238 at 4.61e+06 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 3.0 1.2 1.3 ! B.244 at -1.16e+06 assign (resid 24 and name HN ) (resid 25 and name HN ) 4.0 2.2 1.0 ! C.101 at 4.03e+06 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 4.0 2.2 1.0 ! C.121 at 3.13e+06 ! Q25 assign (resid 25 and name HA ) (resid 25 and name HG1 ) 4.0 2.2 0.5 ! A.427 at -2.74e+06 assign (resid 25 and name HA ) (resid 25 and name HG2 ) 2.5 0.7 0.8 ! A.425 at -2.81e+06 assign (resid 25 and name HB1 ) (resid 25 and name HN ) 3.0 1.2 1.3 ! B.247 at -2.24e+06 assign (resid 25 and name HB2 ) (resid 25 and name HN ) 3.0 1.2 1.0 ! C.118 at 2.63e+06 assign (resid 25 and name HG1 ) (resid 25 and name HN ) 4.0 2.2 1.0 ! C.120 at 3.29e+06 assign (resid 25 and name HG2 ) (resid 25 and name HN ) 4.0 2.2 0.5 ! B.240 at -3.66e+06 assign (resid 25 and name HB2 ) (resid 25 and name HE22 ) 4.0 2.2 1.0 ! B.490 at -1.43e+06 assign (resid 25 and name HG2 ) (resid 25 and name HE22 ) 3.5 1.7 1.0 ! B.489 at -9.16e+06 assign (resid 25 and name HG1 ) (resid 25 and name HE22 ) 4.0 2.2 0.5 ! B.488 at -9.16e+06 assign (resid 25 and name HB1 ) (resid 25 and name HE21 ) 3.0 1.2 1.0 ! B.491 at -1.43e+06 assign (resid 25 and name HB1 ) (resid 25 and name HE22 ) 2.5 0.7 0.8 ! B.487 at -1.05e+06 assign (resid 25 and name HB2 ) (resid 25 and name HE21 ) 4.0 2.2 1.0 ! B.486 at -1.05e+06 assign (resid 25 and name HG2 ) (resid 25 and name HE21 ) 4.0 2.2 1.0 ! B.485 at -4.31e+06 assign (resid 25 and name HG1 ) (resid 25 and name HE21 ) 4.0 2.2 0.8 ! B.484 at -4.31e+06 assign (resid 25 and name HA ) (resid 26 and name HN ) 3.0 1.2 1.0 ! B.255 at 2.86e+06 assign (resid 25 and name HG2 ) (resid 26 and name HN ) 4.0 2.2 1.0 ! B.251 at -1.03e+06 assign (resid 25 and name HG1 ) (resid 26 and name HN ) 4.0 2.2 1.0 ! B.444 at -1.03e+06 assign (resid 25 and name HB1 ) (resid 26 and name HN ) 3.0 1.2 1.0 ! B.250 at -1.60e+06 !assign (resid 25 and name HN ) (resid 26 and name HN ) 2.5 0.7 1.5 ! C.76 at 3.27e+06 !assign (resid 25 and name HG1 ) (resid 27 and name HD2# ) 2.5 0.7 1.2 ! A.489 at -3.87e+06 !assign (resid 25 and name HG2 ) (resid 27 and name HD2# ) 3.0 1.2 1.0 ! A.488 at -3.87e+06 assign (resid 25 and name HB2 ) (resid 27 and name HD2# ) 4.0 2.2 1.5 ! A.490 at -8.71e+05 assign (resid 25 and name HG1 ) (resid 27 and name HG ) 4.0 2.2 2.0 ! A.475 at 6.27e+05 ! H26 assign (resid 26 and name HA ) (resid 26 and name HB1 ) 2.5 0.7 0.8 ! C.156 at 4.49e+06 assign (resid 26 and name HA ) (resid 26 and name HB2 ) 3.0 1.2 0.8 ! C.154 at 2.83e+06 assign (resid 26 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.5 ! B.259 at 6.42e+05 assign (resid 26 and name HB1 ) (resid 26 and name HN ) 2.5 0.7 1.0 ! B.256 at -1.70e+06 assign (resid 26 and name HB2 ) (resid 26 and name HN ) 2.5 0.7 0.8 ! B.254 at -9.20e+05 assign (resid 26 and name HB2 ) (resid 26 and name HD2 ) 2.5 0.7 1.0 ! C.94 at 2.81e+06 assign (resid 26 and name HD2 ) (resid 26 and name HN ) 3.0 1.2 1.2 ! D.23 at 1.07e+09 assign (resid 26 and name HE1 ) (resid 26 and name HN ) 4.0 2.2 1.5 ! C.75 at 3.21e+06 assign (resid 26 and name HA ) (resid 26 and name HD2 ) 3.0 1.2 0.8 ! C.97 at 1.68e+06 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.0 1.2 1.0 ! B.258 at 1.36e+06 assign (resid 26 and name HB1 ) (resid 27 and name HN ) 3.0 1.2 1.0 ! B.260 at -3.94e+05 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 3.0 1.2 1.5 ! C.1 at 1.01e+06 ! L27 assign (resid 27 and name HA ) (resid 27 and name HN ) 2.5 0.7 0.5 ! B.259 at 6.42e+05 assign (resid 27 and name HA ) (resid 27 and name HD1# ) 3.0 1.2 1.8 ! A.480 at -1.60e+06 assign (resid 27 and name HA ) (resid 27 and name HD2# ) 2.5 0.7 0.7 ! A.491 at 1.31e+07 assign (resid 27 and name HB1 ) (resid 27 and name HD2# ) 2.5 0.7 0.7 ! A.499 at 2.60e+07 assign (resid 27 and name HB2 ) (resid 27 and name HD2# ) 3.0 1.2 1.0 ! A.498 at -3.38e+06 assign (resid 27 and name HD1# ) (resid 27 and name HB2 ) 2.5 0.7 0.7 ! A.462 at 6.01e+06 assign (resid 27 and name HD1# ) (resid 27 and name HB1 ) 3.0 1.2 0.8 ! A.449 at 1.09e+06 assign (resid 27 and name HA ) (resid 27 and name HG ) 4.0 2.2 1.0 ! A.469 at -9.14e+05 assign (resid 27 and name HD1# ) (resid 27 and name HN ) 3.0 1.2 1.0 ! B.263 at -5.08e+05 assign (resid 27 and name HB2 ) (resid 27 and name HN ) 3.0 1.2 0.5 ! B.264 at -5.20e+05 assign (resid 27 and name HB1 ) (resid 27 and name HN ) 2.5 0.7 1.0 ! C.40 at 2.16e+06 assign (resid 27 and name HD2# ) (resid 27 and name HN ) 3.0 1.2 1.0 ! C.41 at 1.07e+06 assign (resid 27 and name HG ) (resid 27 and name HN ) 3.0 1.2 0.5 ! C.43 at 1.15e+06 assign (resid 27 and name HA ) (resid 28 and name HB2 ) 4.0 2.2 1.0 ! A.510 at 5.09e+05 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.0 1.2 1.0 ! B.267 at 2.17e+06 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 3.0 1.2 0.5 ! C.163 at 1.18e+06 assign (resid 27 and name HD1# ) (resid 28 and name HN ) 4.0 2.2 2.0 ! C.165 at 1.53e+06 assign (resid 27 and name HD2# ) (resid 31 and name HA ) 4.0 2.2 1.8 ! A.501 at 7.48e+05 assign (resid 27 and name HD2# ) (resid 31 and name HB1 ) 3.0 1.2 1.0 ! A.495 at -4.78e+06 assign (resid 27 and name HD2# ) (resid 31 and name HB2 ) 3.0 1.2 1.3 ! A.496 at -2.15e+06 assign (resid 27 and name HA ) (resid 31 and name HB2 ) 3.0 1.2 1.0 ! A.531 at -1.51e+06 assign (resid 27 and name HD1# ) (resid 31 and name HB1 ) 4.0 2.2 1.6 ! A.528 at 5.77e+05 assign (resid 27 and name HA ) (resid 31 and name HB1 ) 3.0 1.2 1.2 ! A.525 at -1.57e+06 !assign (resid 27 and name HB1 ) (resid 31 and name HN ) 4.0 2.2 1.5 ! C.422 at 1.24e+06 assign (resid 27 and name HB1 ) (resid 32 and name HA ) 3.0 1.2 0.5 ! A.443 at -1.02e+06 assign (resid 27 and name HB1 ) (resid 32 and name HD1# ) 3.0 1.2 1.2 ! A.451 at -1.16e+06 assign (resid 27 and name HB2 ) (resid 32 and name HB1 ) 3.0 1.2 1.0 ! A.463 at 4.59e+05 assign (resid 27 and name HB2 ) (resid 32 and name HA ) 3.0 1.2 0.8 ! A.458 at -1.37e+06 !!!assign (resid 27 and name HG ) (resid 32 and name HD2# ) 4.0 2.2 2.5 ! A.476 at 4.19e+05 assign (resid 27 and name HD1# ) (resid 32 and name HD1# ) 3.0 1.2 1.5 ! A.559 at -4.88e+06 assign (resid 27 and name HD1# ) (resid 32 and name HA ) 3.0 1.2 1.0 ! A.481 at -2.09e+06 assign (resid 27 and name HD2# ) (resid 32 and name HA ) 3.0 1.2 1.3 ! A.493 at 2.51e+06 assign (resid 27 and name HD2# ) (resid 35 and name HB# ) 4.0 2.2 2.0 ! A.503 at 1.27e+07 assign (resid 27 and name HB1 ) (resid 35 and name HB# ) 4.0 2.2 2.0 ! A.598 at 4.68e+06 assign (resid 27 and name HD1# ) (resid 35 and name HB# ) 2.5 0.7 1.2 ! A.607 at -1.85e+07 assign (resid 27 and name HD2# ) (resid 35 and name HN ) 4.0 2.2 2.0 ! C.205 at 2.72e+06 assign (resid 27 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 2.0 ! C.206 at 1.51e+06 ! C28 assign (resid 28 and name HA ) (resid 28 and name HB2 ) 3.0 1.2 0.5 assign (resid 28 and name HA ) (resid 28 and name HB1 ) 3.0 1.2 0.5 assign (resid 28 and name HB1 ) (resid 28 and name HN ) 3.0 1.2 0.8 ! C.161 at 5.38e+06 assign (resid 28 and name HB1 ) (resid 29 and name HN ) 4.0 2.2 1.0 ! C.5 at 9.21e+05 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.0 1.2 0.5 ! C.6 at 1.92e+06 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.0 1.2 0.5 ! C.9 at 1.92e+06 assign (resid 28 and name HN ) (resid 31 and name HB2 ) 4.0 2.2 1.0 ! C.160 at 6.33e+06 assign (resid 28 and name HN ) (resid 31 and name HB1 ) 2.5 0.7 1.0 ! C.368 at 1.95e+06 assign (resid 28 and name HN ) (resid 32 and name HD1# ) 4.0 2.2 2.5 ! C.164 at 4.59e+06 assign (resid 28 and name HN ) (resid 32 and name HB1 ) 3.0 1.2 1.5 ! C.180 at 1.18e+06 ! G29 assign (resid 29 and name HA1 ) (resid 29 and name HN ) 2.5 0.7 0.5 ! C.60 at 1.93e+06 assign (resid 29 and name HA2 ) (resid 29 and name HN ) 2.5 0.7 1.0 ! C.329 at 1.08e+06 assign (resid 29 and name HA1 ) (resid 30 and name HN ) 3.0 1.2 1.0 ! C.24 at 5.49e+06 assign (resid 29 and name HA2 ) (resid 30 and name HN ) 2.5 0.7 0.4 ! C.27 at 7.76e+06 assign (resid 29 and name HA1 ) (resid 31 and name HN ) 3.0 1.2 1.0 ! B.292 at 1.17e+06 assign (resid 29 and name HA2 ) (resid 31 and name HN ) 3.0 1.2 1.5 ! B.292 at 1.17e+06 ! S30 assign (resid 30 and name HB1 ) (resid 30 and name HN ) 3.0 1.2 1.0 ! C.17 at 5.02e+06 assign (resid 30 and name HB2 ) (resid 30 and name HN ) 2.5 0.7 0.8 ! C.28 at 8.16e+06 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.0 1.2 1.0 ! B.283 at 1.95e+06 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 4.0 2.2 1.0 ! B.282 at 3.22e+06 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.0 1.2 1.0 ! C.11 at 3.19e+06 assign (resid 30 and name HB2 ) (resid 31 and name HN ) 4.0 2.2 1.0 ! C.219 at 3.07e+06 assign (resid 30 and name HA ) (resid 33 and name HB ) 2.5 0.7 0.8 ! A.513 at -4.39e+06 assign (resid 30 and name HA ) (resid 33 and name HG1# ) 4.0 2.2 1.0 ! A.75 at 7.62e+06 assign (resid 30 and name HA ) (resid 33 and name HG2# ) 3.0 1.2 0.8 ! A.84 at 1.99e+06 assign (resid 30 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.5 ! C.385 at 2.42e+06 assign (resid 30 and name HB1 ) (resid 33 and name HG2# ) 4.0 2.2 1.0 ! A.515 at 1.03e+06 assign (resid 30 and name HB1 ) (resid 33 and name HG1# ) 4.0 2.2 1.2 ! A.514 at 7.48e+05 !assign (resid 30 and name HB2 ) (resid 33 and name HG2# ) 3.0 1.2 1.0 ! A.573 at 2.09e+06 !assign (resid 30 and name HB2 ) (resid 33 and name HG1# ) 4.0 2.2 2.0 ! A.520 at 2.07e+06 !assign (resid 30 and name HB2 ) (resid 34 and name HG1 ) 4.0 2.2 2.0 ! A.517 at -6.70e+05 ! D31 assign (resid 31 and name HA ) (resid 31 and name HN ) 3.0 1.2 0.8 assign (resid 31 and name HB1 ) (resid 31 and name HA ) 3.0 1.2 1.0 assign (resid 31 and name HB2 ) (resid 31 and name HA ) 2.5 0.7 0.8 assign (resid 31 and name HB1 ) (resid 31 and name HN ) 4.0 2.2 1.0 ! B.285 at -5.62e+06 assign (resid 31 and name HB2 ) (resid 31 and name HN ) 4.0 1.2 0.8 ! B.284 at -9.10e+06 assign (resid 31 and name HB1 ) (resid 32 and name HA ) 4.0 2.2 1.0 ! A.529 at -7.40e+05 assign (resid 31 and name HN ) (resid 32 and name HA ) 4.0 2.2 2.5 ! B.281 at 5.22e+05 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.0 1.2 1.0 ! B.438 at 9.02e+05 assign (resid 31 and name HB1 ) (resid 32 and name HN ) 4.0 1.2 1.0 ! B.297 at -8.57e+05 assign (resid 31 and name HN ) (resid 32 and name HN ) 3.0 1.2 1.0 ! C.147 at 5.06e+06 assign (resid 31 and name HN ) (resid 33 and name HN ) 4.0 2.2 0.4 !assign (resid 31 and name HA ) (resid 34 and name HB# ) 3.0 1.2 2.0 ! A.522 at -2.29e+06 !assign (resid 31 and name HN ) (resid 34 and name HB# ) 4.0 2.2 1.5 ! B.288 at -8.80e+05 assign (resid 31 and name HA ) (resid 34 and name HN ) 3.0 1.2 1.0 ! C.237 at 2.55e+06 assign (resid 31 and name HA ) (resid 35 and name HN ) 4.0 2.2 2.0 ! B.7 at 9.25e+05 ! L32 assign (resid 32 and name HA ) (resid 32 and name HG ) 3.0 1.2 0.8 ! A.539 at -1.84e+06 assign (resid 32 and name HA ) (resid 32 and name HD2# ) 3.0 1.2 1.5 ! A.541 at -1.62e+06 assign (resid 32 and name HA ) (resid 32 and name HD1# ) 3.0 1.2 0.5 ! A.60 at 1.39e+07 assign (resid 32 and name HB1 ) (resid 32 and name HD1# ) 3.0 1.2 1.0 ! A.49 at -3.59e+06 assign (resid 32 and name HB1 ) (resid 32 and name HD2# ) 2.5 0.7 0.5 ! A.547 at 3.99e+06 assign (resid 32 and name HB2 ) (resid 32 and name HD1# ) 2.5 0.7 1.0 ! A.50 at -5.53e+06 assign (resid 32 and name HB2 ) (resid 32 and name HD2# ) 3.0 1.2 1.0 ! A.554 at 6.05e+06 assign (resid 32 and name HB2 ) (resid 32 and name HN ) 2.5 0.7 0.8 ! B.300 at -1.73e+06 assign (resid 32 and name HB1 ) (resid 32 and name HN ) 2.5 0.7 0.8 ! B.299 at -2.61e+06 assign (resid 32 and name HD1# ) (resid 32 and name HN ) 4.0 2.2 1.2 ! B.439 at -6.06e+05 assign (resid 32 and name HB1 ) (resid 33 and name HG2# ) 4.0 2.2 0.5 ! A.77 at -7.06e+05 !assign (resid 32 and name HB2 ) (resid 33 and name HG1# ) 4.0 2.2 2.0 ! A.76 at -1.24e+06 !assign (resid 32 and name HN ) (resid 33 and name HG2# ) 3.0 1.2 1.0 ! B.301 at 6.42e+05 assign (resid 32 and name HG ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.313 at -4.05e+05 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.314 at -1.13e+06 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 2.5 ! B assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 1.0 ! C.386 at 1.35e+06 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.5 0.7 0.8 ! 4d-NN assign (resid 32 and name HD1# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! C.466 at 1.69e+06 assign (resid 32 and name HD2# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! C.467 at 1.56e+06 !assign (resid 32 and name HD2# ) (resid 34 and name HN ) 4.0 2.2 2.0 ! B.319 at -6.03e+05 assign (resid 32 and name HA ) (resid 35 and name HB# ) 3.0 1.2 1.0 ! A.604 at 1.03e+07 assign (resid 32 and name HA ) (resid 35 and name HN ) 3.0 1.2 1.0 ! B.6 at 1.56e+06 assign (resid 32 and name HD1# ) (resid 36 and name HD1# ) 4.0 2.2 1.0 ! A.52 at -2.51e+06 assign (resid 32 and name HG ) (resid 36 and name HD1# ) 3.0 1.2 1.5 ! A.557 at 1.28e+06 assign (resid 32 and name HD2# ) (resid 36 and name HD1# ) 4.0 2.2 2.0 ! A.124 at 2.30e+06 assign (resid 32 and name HD1# ) (resid 36 and name HN ) 4.0 2.2 1.0 ! C.428 at 2.31e+06 assign (resid 32 and name HD2# ) (resid 47 and name HD1 ) 3.0 1.2 1.5 ! C.110 at 1.14e+06 assign (resid 32 and name HD2# ) (resid 47 and name HE1 ) 3.0 1.2 0.5 ! C.478 at 2.71e+06 assign (resid 32 and name HG ) (resid 47 and name HE1 ) 3.0 1.2 0.5 ! E.27 at 4.44e+08 assign (resid 32 and name HB1 ) (resid 47 and name HE1 ) 4.0 2.2 1.0 ! D.58 at 1.73e+06 ! V33 assign (resid 33 and name HG1# ) (resid 33 and name HA ) 2.5 0.7 0.8 ! A.564 at 1.57e+07 assign (resid 33 and name HG2# ) (resid 33 and name HA ) 2.5 0.7 0.8 ! A.563 at 1.35e+07 assign (resid 33 and name HB ) (resid 33 and name HA ) 3.0 1.2 1.0 ! from 4D CC assign (resid 33 and name HG1# ) (resid 33 and name HN ) 3.0 1.2 1.4 ! B.311 at 6.57e+06 assign (resid 33 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.312 at 1.30e+06 assign (resid 33 and name HB ) (resid 33 and name HN ) 2.5 0.7 0.8 ! B.309 at -4.23e+06 assign (resid 33 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.8 ! B.310 !assign (resid 33 and name HG2# ) (resid 34 and name HA ) 4.0 2.2 2.0 ! A.85 at 3.70e+06 assign (resid 33 and name HG1# ) (resid 34 and name HB# ) 4.0 2.2 1.6 ! A.90 at -1.48e+06 !assign (resid 33 and name HG2# ) (resid 34 and name HG2 ) 4.0 2.2 1.5 ! A.590 at -8.11e+05 assign (resid 33 and name HG1# ) (resid 34 and name HN ) 4.0 2.2 2.0 ! B.323 at 2.32e+06 assign (resid 33 and name HG2# ) (resid 34 and name HN ) 4.0 2.2 1.0 ! B.322 at 2.94e+06 assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 1.2 1.0 ! B.324 at 1.40e+06 assign (resid 33 and name HB ) (resid 34 and name HN ) 3.0 1.2 1.0 ! B.317 at -6.09e+06 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.0 1.2 1.0 ! C.278 at 5.18e+06 assign (resid 33 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! B.11 at 6.08e+05 !assign (resid 33 and name HN ) (resid 35 and name HB# ) 3.0 1.2 2.0 ! B.315 at 4.28e+05 assign (resid 33 and name HA ) (resid 36 and name HD1# ) 3.0 1.2 2.0 ! A.567 at -2.76e+06 assign (resid 33 and name HA ) (resid 36 and name HB1 ) 4.0 2.2 1.0 ! A.565 at -1.71e+06 assign (resid 33 and name HA ) (resid 36 and name HB2 ) 2.5 0.7 0.8 ! A.566 at -6.78e+05 assign (resid 33 and name HA ) (resid 36 and name HG ) 4.0 2.2 1.0 ! A assign (resid 33 and name HG2# ) (resid 36 and name HD1# ) 4.0 2.2 2.0 ! A.115 at -9.89e+05 !assign (resid 33 and name HG1# ) (resid 36 and name HD1# ) 4.0 2.2 2.0 ! A.115 at -9.89e+05 !assign (resid 33 and name HG1# ) (resid 36 and name HN ) 4.0 2.2 2.0 ! B.342 at 1.00e+06 assign (resid 33 and name HA ) (resid 36 and name HN ) 3.0 1.2 1.0 ! B.341 at 3.00e+06 assign (resid 33 and name HG1# ) (resid 37 and name HD1 ) 4.0 2.2 1.5 ! A.647 at -2.01e+06 assign (resid 33 and name HG1# ) (resid 37 and name HB1 ) 4.0 2.2 0.8 ! A.83 at -1.56e+06 assign (resid 33 and name HG1# ) (resid 37 and name HB2 ) 3.0 1.2 1.0 ! A.640 at -1.12e+06 !assign (resid 33 and name HG1# ) (resid 37 and name HE1 ) 2.5 0.7 1.5 ! A.650 at -2.30e+06 assign (resid 33 and name HG1# ) (resid 37 and name HN ) 4.0 2.2 0.5 ! B.357 at 7.60e+05 assign (resid 33 and name HA ) (resid 37 and name HN ) 3.0 1.2 1.0 ! B.364 at 5.41e+05 !assign (resid 33 and name HB ) (resid 37 and name HE1 ) 4.0 2.2 1.0 ! D.69 at 9.11e+05 assign (resid 33 and name HG2# ) (resid 45 and name HE1 ) 4.0 2.2 1.0 ! C.105 at 1.77e+06 assign (resid 33 and name HG1# ) (resid 45 and name HE1 ) 3.0 1.2 1.0 ! p3 dAA h2o assign (resid 33 and name HA ) (resid 45 and name HE1 ) 3.0 1.2 1.0 assign (resid 33 and name HG1# ) (resid 45 and name HD1 ) 4.0 2.2 1.8 ! p3 dAA h2o assign (resid 33 and name HG2# ) (resid 47 and name HE1 ) 4.0 1.2 1.0 ! C.480 at 1.88e+06 assign (resid 33 and name HA ) (resid 47 and name HE1 ) 4.0 2.2 1.3 ! C assign (resid 33 and name HG2# ) (resid 47 and name HD1 ) 4.0 2.2 0.6 ! E.190 at 3.72e+08 ! E34 assign (resid 34 and name HG2 ) (resid 34 and name HA ) 3.0 1.2 1.0 ! A.579 at -3.59e+06 assign (resid 34 and name HG1 ) (resid 34 and name HA ) 2.5 0.7 1.0 ! A.580 at -7.18e+06 assign (resid 34 and name HB1 ) (resid 34 and name HN ) 2.5 0.7 0.9 ! B.318 at -1.39e+07 assign (resid 34 and name HB2 ) (resid 34 and name HN ) 3.0 1.2 1.0 ! B.318 at -1.39e+07 assign (resid 34 and name HG1 ) (resid 34 and name HN ) 3.0 1.2 0.8 ! C.280 at 6.71e+06 assign (resid 34 and name HB1 ) (resid 35 and name HB# ) 4.0 2.2 1.5 ! A.602 at -2.88e+06 !!assign (resid 34 and name HB2 ) (resid 35 and name HB# ) 4.0 2.2 2.0 ! A.602 at -2.88e+06 assign (resid 34 and name HA ) (resid 35 and name HN ) 3.0 1.2 1.0 ! B.8 at 1.61e+06 assign (resid 34 and name HG1 ) (resid 35 and name HN ) 4.0 2.2 1.0 ! B.10 at -1.09e+06 assign (resid 34 and name HG2 ) (resid 35 and name HN ) 4.0 2.2 1.0 ! B.9 at -9.83e+05 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 3.0 1.2 1.0 ! B.4 at -7.08e+06 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 3.0 1.2 1.0 ! B.4 at -7.08e+06 assign (resid 34 and name HN ) (resid 35 and name HB# ) 4.0 2.2 1.5 ! C.292 at 1.77e+06 assign (resid 34 and name HN ) (resid 35 and name HN ) 2.5 0.7 0.8 assign (resid 34 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.421 at 1.02e+06 assign (resid 34 and name HB1 ) (resid 36 and name HN ) 4.0 2.2 1.8 ! B.332 at -1.16e+06 !assign (resid 34 and name HB1 ) (resid 37 and name HD1 ) 4.0 2.2 1.5 ! A.649 at 5.42e+05 !assign (resid 34 and name HB2 ) (resid 37 and name HD1 ) 4.0 2.2 1.5 ! A.649 at 5.42e+05 !assign (resid 34 and name HG1 ) (resid 37 and name HD1 ) 4.0 2.2 2.0 ! A.646 at 8.26e+05 assign (resid 34 and name HA ) (resid 37 and name HD2 ) 4.0 2.2 1.0 ! C.381 at 2.47e+06 assign (resid 34 and name HB1 ) (resid 37 and name HB2 ) 4.0 2.2 2.0 ! A.641 at 5.64e+05 assign (resid 34 and name HB2 ) (resid 37 and name HB2 ) 4.0 2.2 1.5 ! A.641 at 5.64e+05 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 3.0 1.2 1.0 ! A.638 at -4.70e+06 !assign (resid 34 and name HB1 ) (resid 37 and name HB1 ) 3.0 1.2 0.8 ! A.634 at 1.13e+06 assign (resid 34 and name HA ) (resid 37 and name HB1 ) 3.0 1.2 1.0 ! A.629 at -4.96e+06 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 3.0 1.2 1.0 ! A.577 at -6.52e+06 assign (resid 34 and name HA ) (resid 37 and name HN ) 3.0 1.2 1.0 ! B.350 at 2.49e+06 assign (resid 34 and name HB1 ) (resid 37 and name HN ) 4.0 1.2 2.0 ! B.358 at -5.02e+05 assign (resid 34 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 1.5 ! B.358 at -5.02e+05 ! A35 assign (resid 35 and name HB# ) (resid 35 and name HN ) 2.5 0.7 0.9 ! B.12 at 2.41e+07 assign (resid 35 and name HB# ) (resid 36 and name HN ) 3.0 1.2 0.8 ! B.344 at 1.16e+07 assign (resid 35 and name HA ) (resid 36 and name HN ) 3.0 1.2 0.8 ! B.330 at 3.00e+06 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.5 0.7 0.8 assign (resid 35 and name HA ) (resid 37 and name HB2 ) 4.0 2.2 2.0 ! A.642 at -6.29e+05 assign (resid 35 and name HA ) (resid 37 and name HN ) 4.0 2.2 2.0 ! B.441 at 8.62e+05 assign (resid 35 and name HA ) (resid 38 and name HD2# ) 3.0 1.2 0.8 ! A.152 at 1.81e+06 assign (resid 35 and name HA ) (resid 38 and name HB1 ) 2.5 0.7 0.2 ! A.657 at -3.13e+06 assign (resid 35 and name HA ) (resid 38 and name HB2 ) 3.0 1.2 1.0 ! A.591 at -2.36e+06 assign (resid 35 and name HA ) (resid 38 and name HD1# ) 3.0 1.2 2.0 ! A.147 at -2.37e+06 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.5 ! C.297 at 3.27e+06 !assign (resid 35 and name HA ) (resid 39 and name HG1# ) 3.0 1.2 0.8 ! A.680 at 1.43e+06 assign (resid 35 and name HB# ) (resid 39 and name HG2# ) 2.5 0.7 2.7 ! A.597 at 2.09e+06 assign (resid 35 and name HB# ) (resid 39 and name HN ) 3.0 1.2 2.0 ! B.385 at 5.99e+05 assign (resid 35 and name HA ) (resid 39 and name HN ) 3.0 1.2 1.0 ! B.375 at 1.12e+06 ! L36 assign (resid 36 and name HD2# ) (resid 36 and name HB2 ) 3.0 1.2 0.8 ! A.623 at 2.10e+06 assign (resid 36 and name HD1# ) (resid 36 and name HB2 ) 2.5 0.7 0.7 ! A.622 at 3.61e+06 assign (resid 36 and name HD2# ) (resid 36 and name HB1 ) 3.0 1.2 0.8 ! A.620 at 1.92e+06 assign (resid 36 and name HD1# ) (resid 36 and name HB1 ) 2.5 0.7 0.7 ! A.621 at 2.27e+06 assign (resid 36 and name HG ) (resid 36 and name HA ) 2.5 0.7 0.8 ! A.610 at -2.80e+06 assign (resid 36 and name HD2# ) (resid 36 and name HA ) 2.5 0.7 0.7 ! A.612 at -1.18e+07 assign (resid 36 and name HD1# ) (resid 36 and name HA ) 3.0 1.2 1.5 ! A.611 at -2.04e+06 assign (resid 36 and name HD2# ) (resid 36 and name HN ) 3.0 1.2 1.2 ! B.336 at -2.30e+06 assign (resid 36 and name HD1# ) (resid 36 and name HN ) 3.0 1.2 0.8 ! B.335 at -2.05e+06 assign (resid 36 and name HG ) (resid 36 and name HN ) 2.5 0.7 0.8 ! B.333 at -5.98e+06 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 3.0 1.2 0.8 ! C.425 at 6.91e+06 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.0 1.2 1.0 ! B.352 at 1.00e+06 !assign (resid 36 and name HD1# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! B.361 at -3.90e+05 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 2.5 0.7 0.5 ! B.355 at -1.32e+06 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.0 1.2 1.0 ! B.362 at -4.75e+05 assign (resid 36 and name HG ) (resid 37 and name HN ) 4.0 2.2 1.5 ! B.360 at -4.24e+05 !assign (resid 36 and name HN ) (resid 37 and name HB# ) 4.0 2.2 2.0 ! B.338 at -5.95e+05 assign (resid 36 and name HN ) (resid 37 and name HN ) 3.0 1.2 1.0 !assign (resid 36 and name HD1# ) (resid 38 and name HN ) 3.0 1.2 3.5 ! B.371 at -4.22e+05 assign (resid 36 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.7 ! C.234 at 1.63e+06 assign (resid 36 and name HA ) (resid 39 and name HB ) 2.5 0.7 1.2 ! A.609 at -4.09e+06 assign (resid 36 and name HA ) (resid 39 and name HG1# ) 4.0 2.2 1.0 ! A.617 at 3.12e+06 assign (resid 36 and name HA ) (resid 39 and name HG2# ) 3.0 1.2 0.8 ! A.616 at 1.79e+06 assign (resid 36 and name HA ) (resid 39 and name HN ) 3.0 1.2 1.0 ! B.377 at 1.91e+06 assign (resid 36 and name HD2# ) (resid 39 and name HG2# ) 4.0 2.2 1.8 ! A.699 at -4.58e+06 assign (resid 36 and name HD2# ) (resid 39 and name HB ) 3.0 1.2 1.8 ! A.125 at 1.98e+06 assign (resid 36 and name HD2# ) (resid 39 and name HG1# ) 4.0 2.2 2.0 ! A.138 at -1.47e+06 assign (resid 36 and name HA ) (resid 40 and name HN ) 3.0 1.2 1.0 ! B.394 at 1.25e+06 assign (resid 36 and name HB1 ) (resid 45 and name HB1 ) 3.0 1.2 1.2 assign (resid 36 and name HB2 ) (resid 45 and name HB2 ) 4.0 2.2 1.0 assign (resid 36 and name HD1# ) (resid 45 and name HB1 ) 4.0 2.2 1.0 assign (resid 36 and name HD1# ) (resid 45 and name HB2 ) 4.0 2.2 0.5 assign (resid 36 and name HD2# ) (resid 45 and name HB1 ) 4.0 2.2 0.5 assign (resid 36 and name HD2# ) (resid 45 and name HB2 ) 4.0 2.2 0.5 assign (resid 36 and name HD1# ) (resid 45 and name HD1 ) 3.0 1.2 0.5 ! C.103 at 2.00e+06 assign (resid 36 and name HD1# ) (resid 45 and name HE1 ) 3.0 1.2 1.2 ! C.106 at 1.39e+06 assign (resid 36 and name HD2# ) (resid 45 and name HD1 ) 4.0 2.2 1.5 ! C.104 at 1.23e+06 assign (resid 36 and name HD2# ) (resid 45 and name HE1 ) 4.0 2.2 2.0 ! C.107 at 9.21e+05 assign (resid 36 and name HD1# ) (resid 46 and name HN ) 4.0 2.2 1.3 assign (resid 36 and name HD2# ) (resid 46 and name HN ) 4.0 2.2 1.6 assign (resid 36 and name HD1# ) (resid 47 and name HA ) 4.0 2.2 1.5 assign (resid 36 and name HD1# ) (resid 47 and name HB1 ) 4.0 2.2 2.0 assign (resid 36 and name HD1# ) (resid 47 and name HB2 ) 3.0 1.2 1.5 assign (resid 36 and name HD1# ) (resid 47 and name HD1 ) 3.0 1.2 0.8 ! C.108 at 1.12e+06 assign (resid 36 and name HD1# ) (resid 47 and name HE1 ) 4.0 2.2 1.5 assign (resid 36 and name HG ) (resid 47 and name HD1 ) 4.0 2.2 1.5 !!!assign (resid 36 and name HD2# ) (resid 47 and name HA ) 4.0 2.2 2.0 !!!assign (resid 36 and name HB1 ) (resid 47 and name HB1 ) 4.0 2.2 2.5 !!!assign (resid 36 and name HB2 ) (resid 47 and name HB1 ) 4.0 2.2 2.0 ! Y37 assign (resid 37 and name HA ) (resid 37 and name HB1 ) 3.0 1.2 1.0 assign (resid 37 and name HA ) (resid 37 and name HB2 ) 2.5 0.7 0.5 assign (resid 37 and name HA ) (resid 37 and name HD1 ) 2.5 0.7 1.2 ! A.643 at -6.81e+06 assign (resid 37 and name HA ) (resid 37 and name HE1 ) 4.0 2.2 1.0 ! A.651 at -6.29e+05 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 2.5 0.7 0.8 ! C.308 at 1.57e+07 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 2.5 0.7 0.8 ! C.312 at 1.63e+07 assign (resid 37 and name HB1 ) (resid 37 and name HD2 ) 2.5 0.7 0.8 ! A.631 at 1.06e+07 assign (resid 37 and name HB1 ) (resid 37 and name HE2 ) 4.0 2.2 1.0 ! A.633 at 1.39e+06 assign (resid 37 and name HB2 ) (resid 37 and name HD1 ) 2.5 0.7 0.8 ! A.635 at 8.90e+06 assign (resid 37 and name HB2 ) (resid 37 and name HE1 ) 4.0 2.2 1.0 ! A.637 at 8.87e+05 assign (resid 37 and name HD1 ) (resid 37 and name HN ) 4.0 2.2 0.5 ! B.440 at -1.35e+06 !assign (resid 37 and name HE2 ) (resid 38 and name HD2# ) 3.0 1.2 2.5 ! A.153 at -1.24e+06 assign (resid 37 and name HD2 ) (resid 38 and name HA ) 3.0 1.2 1.0 ! C.382 at 1.06e+06 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 2.5 0.7 0.7 ! C.294 at 4.98e+06 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 3.0 1.2 1.0 ! C.295 at 3.74e+06 assign (resid 37 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.5 ! C.298 at 1.46e+06 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 0.4 ! C.311 at 6.95e+06 !!assign (resid 37 and name HB1 ) (resid 39 and name HN ) 4.0 2.2 1.2 ! B.392 at -5.18e+05 assign (resid 37 and name HA ) (resid 40 and name HN ) 3.0 1.2 1.3 ! B.395 at 8.65e+05 assign (resid 37 and name HA ) (resid 41 and name HN ) 3.0 1.2 0.5 ! B.413 at 1.20e+06 assign (resid 37 and name HB2 ) (resid 45 and name HE2 ) 3.0 1.2 1.0 ! D.71 at 7.55e+05 assign (resid 37 and name HA ) (resid 45 and name HD2 ) 3.0 1.2 1.0 assign ( resid 37 and name HA ) ( resid 45 and name HE2 ) 3.0 1.2 0.5 ! E.22 at 5.49e+08 !assign ( resid 37 and name HB2 )( resid 45 and name HD2 ) 4.0 2.2 1.5 ! L38 assign (resid 38 and name HA ) (resid 38 and name HD2# ) 3.0 1.2 2.0 ! A.151 at 1.08e+07 assign (resid 38 and name HB1 ) (resid 38 and name HD2# ) 2.5 0.7 0.7 ! A.157 at -4.64e+06 assign (resid 38 and name HB2 ) (resid 38 and name HD2# ) 2.5 0.7 0.7 ! A.155 at -6.27e+06 assign (resid 38 and name HD1# ) (resid 38 and name HB1 ) 2.5 0.7 1.0 ! A.660 at 5.21e+06 assign (resid 38 and name HD1# ) (resid 38 and name HB2 ) 2.5 0.7 0.7 ! A.666 at 3.27e+06 assign (resid 38 and name HG ) (resid 38 and name HA ) 3.0 1.2 0.3 ! A.652 at -1.85e+06 assign (resid 38 and name HD1# ) (resid 38 and name HA ) 2.5 0.7 0.7 ! A.656 at -3.24e+06 assign (resid 38 and name HB1 ) (resid 38 and name HN ) 2.5 0.7 0.4 ! B.367 at -2.29e+06 assign (resid 38 and name HG ) (resid 38 and name HN ) 3.0 1.2 1.5 ! B.368 at -1.35e+06 assign (resid 38 and name HB2 ) (resid 38 and name HN ) 2.5 0.7 0.7 ! C.286 at 4.34e+06 assign (resid 38 and name HD1# ) (resid 38 and name HN ) 3.0 1.2 2.0 ! C.289 at 3.06e+06 assign (resid 38 and name HD2# ) (resid 38 and name HN ) 3.0 1.2 2.0 ! C.290 at 2.66e+06 !assign (resid 38 and name HG ) (resid 39 and name HG1# ) 4.0 2.2 2.0 ! A.676 at -1.62e+06 !assign (resid 38 and name HB1 ) (resid 39 and name HG1# ) 4.0 2.2 2.0 ! A.684 at -3.61e+06 assign (resid 38 and name HB1 ) (resid 39 and name HG2# ) 3.0 1.2 1.5 ! A.662 at -8.76e+05 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! B.376 at 1.15e+06 assign (resid 38 and name HD2# ) (resid 39 and name HN ) 4.0 2.2 2.0 ! B.384 at -5.59e+05 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 3.0 1.2 1.0 ! B.380 at -2.17e+06 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 3.0 1.2 1.0 ! B.381 at -1.83e+06 assign (resid 38 and name HG ) (resid 39 and name HN ) 4.0 2.2 1.0 ! B.418 at -5.12e+05 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.0 1.2 1.0 ! C.45 at 3.37e+06 assign (resid 38 and name HB2 ) (resid 40 and name HN ) 4.0 2.2 2.0 ! C.56 at 8.74e+05 assign (resid 38 and name HA ) (resid 41 and name HN ) 4.0 2.2 1.0 ! C.337 at 3.06e+06 ! V39 assign (resid 39 and name HA ) (resid 39 and name HG1# ) 2.5 0.7 0.5 ! A.687 at 2.02e+07 assign (resid 39 and name HA ) (resid 39 and name HG2# ) 2.5 0.7 0.5 ! A.673 at 1.68e+07 assign (resid 39 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 assign (resid 39 and name HB ) (resid 39 and name HN ) 2.5 0.7 0.3 ! B.374 at -8.70e+06 assign (resid 39 and name HG2# ) (resid 39 and name HN ) 2.5 0.7 0.5 ! B.382 at 4.03e+06 assign (resid 39 and name HG1# ) (resid 39 and name HN ) 3.0 1.2 1.5 ! B.383 at 1.21e+07 assign (resid 39 and name HA ) (resid 40 and name HN ) 3.0 1.2 0.5 ! B.400 at 1.40e+06 assign (resid 39 and name HB ) (resid 40 and name HN ) 2.5 0.7 0.5 ! B.403 at -4.53e+06 assign (resid 39 and name HG1# ) (resid 40 and name HA ) 4.0 2.2 1.0 ! A.692 at 1.48e+06 assign (resid 39 and name HG1# ) (resid 40 and name HN ) 3.0 1.2 1.0 ! B.401 at 3.12e+06 assign (resid 39 and name HG2# ) (resid 40 and name HN ) 4.0 2.2 1.0 ! B.402 at 2.42e+06 assign (resid 39 and name HN ) (resid 40 and name HN ) 3.0 1.2 1.0 ! C.14 at 7.48e+06 !assign (resid 39 and name HG2# ) (resid 41 and name HN ) 4.0 2.2 2.0 ! B.414 at 4.87e+05 !assign (resid 39 and name HG1# ) (resid 41 and name HN ) 3.0 1.2 2.5 ! B.415 at 4.77e+05 assign (resid 39 and name HA ) (resid 41 and name HN ) 4.0 2.2 1.0 ! C.345 at 2.08e+06 assign (resid 39 and name HB ) (resid 41 and name HN ) 4.0 2.2 1.5 ! C.344 at 1.05e+06
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