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 |
|
|
510107 |
2ky8   |
16936 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! pck2xplr.nawk Table; Input File: n15noesy_mbd2arg_dna.PCK ! Date: Tue Dec 22 15:51:31 EST 2009 ! Path: /Users/dcwilljr/StructureCalc/cMBD2_dsDNA/NOE ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c13noe_mbd2_bin.PCK 359 116 96 52 95 ! B n15noesy_mbd2_dna.PCK 248 65 131 27 25 ! C c13noe_mbd2_aro_bin.PCK 62 21 5 1 35 ! D n15noesy_mbd2arg_dna.PCK 19 14 0 0 5 ! Total 688 216 232 80 160 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! G1 ! S2 ! D3 assign (resid 3 and name HB# ) (resid 4 and name HA ) 4.0 2.2 2.0 ! A.318 at 3.79e+04 assign (resid 3 and name HA ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.6 at 7.83e+04 assign (resid 3 and name HB# ) (resid 4 and name HN ) 4.0 2.2 1.0 ! B.11 at 3.94e+05 ! K4 assign (resid 4 and name HD# ) (resid 4 and name HA ) 4.0 2.2 1.0 ! A.270 at 6.26e+04 assign (resid 4 and name HG# ) (resid 4 and name HE# ) 4.0 2.2 1.0 ! A.328 at 7.61e+04 assign (resid 4 and name HG# ) (resid 4 and name HA ) 4.0 2.2 1.0 ! A.327 at 6.96e+04 assign (resid 4 and name HB# ) (resid 4 and name HN ) 4.0 2.2 1.0 ! B.13 at 6.28e+05 assign (resid 4 and name HG# ) (resid 4 and name HN ) 4.0 2.2 1.0 ! B.12 at 4.17e+05 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.5 1.7 0.5 ! A.314 at 1.87e+05 assign (resid 4 and name HB# ) (resid 5 and name HN ) 4.0 2.2 1.0 ! B.17 at 2.29e+05 assign (resid 4 and name HG# ) (resid 5 and name HN ) 4.0 2.2 2.0 ! B.18 at 1.08e+05 ! Q5 assign (resid 5 and name HB# ) (resid 5 and name HN ) 4.0 2.2 1.0 ! B.16 at 6.93e+05 assign (resid 5 and name HA ) (resid 5 and name HG# ) 3.5 1.7 0.3 ! A.265 at 2.14e+05 assign (resid 5 and name HG# ) (resid 5 and name HN ) 4.0 2.2 1.0 ! B.15 at 3.40e+05 assign (resid 5 and name HG# ) (resid 5 and name HE2# ) 4.0 2.2 2.0 ! B.471 at 1.25e+05 assign (resid 5 and name HB# ) (resid 6 and name HN ) 4.0 2.2 1.0 ! B.23 at 2.27e+05 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.5 1.7 0.5 ! B.21 at 1.08e+06 ! G6 assign (resid 6 and name HA# ) (resid 7 and name HN ) 2.5 0.7 0.4 ! B.26 at 2.08e+06 assign (resid 6 and name HN ) (resid 7 and name HN ) 4.0 2.2 1.0 ! B.19 at 3.53e+05 assign (resid 6 and name HA# ) (resid 20 and name HB# ) 4.0 2.2 2.0 ! A.452 at 3.65e+04 ! R7 assign (resid 7 and name HB# ) (resid 7 and name HN ) 3.5 1.7 0.5 ! B.28 at 9.63e+05 assign (resid 7 and name HB# ) (resid 7 and name HD# ) 4.0 2.2 2.0 ! A.336 at 2.89e+04 assign (resid 7 and name HN ) (resid 8 and name HN ) 4.0 2.2 2.0 ! B.25 at 1.18e+05 assign (resid 7 and name HD# ) (resid 18 and name HD# ) 4.0 2.2 2.0 ! A.344 at 4.04e+04 assign (resid 7 and name HB# ) (resid 38 and name HB# ) 4.0 2.2 2.0 ! A.12 at 3.70e+04 ! T8 assign (resid 8 and name HB ) (resid 8 and name HN ) 4.0 2.2 2.0 ! A.21 at 4.33e+04 assign (resid 8 and name HG2# ) (resid 8 and name HA ) 2.5 0.7 0.7 ! A.7 at 4.59e+05 assign (resid 8 and name HG2# ) (resid 8 and name HN ) 4.0 2.2 2.5 ! B.31 at 1.65e+05 assign (resid 8 and name HB ) (resid 9 and name HB# ) 4.0 2.2 2.0 ! A.22 at 3.61e+04 assign (resid 8 and name HB ) (resid 9 and name HN ) 3.5 1.7 0.5 ! B.40 at 9.10e+05 assign (resid 8 and name HG2# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! B.42 at 5.61e+05 ! D9 assign (resid 9 and name HB# ) (resid 9 and name HN ) 3.5 1.7 0.5 ! B.43 at 9.42e+05 assign (resid 9 and name HB# ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.24 at 6.34e+04 assign (resid 9 and name HA ) (resid 10 and name HA ) 4.0 2.2 1.0 ! A.31 at 5.34e+04 assign (resid 9 and name HN ) (resid 10 and name HN ) 4.0 2.2 2.0 ! B.57 at 1.75e+05 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.4 ! B.59 at 3.39e+06 ! C10 assign (resid 10 and name HB# ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.43 at 6.69e+04 assign (resid 10 and name HA ) (resid 11 and name HD# ) 4.0 2.2 1.0 ! A.29 at 1.36e+05 assign (resid 10 and name HB# ) (resid 11 and name HD# ) 4.0 2.2 2.0 ! A.40 at 3.45e+04 assign (resid 10 and name HA ) (resid 11 and name HG# ) 4.0 2.2 1.0 ! A.28 at 7.38e+04 assign (resid 10 and name HN ) (resid 11 and name HD# ) 4.0 2.2 2.0 ! B.60 at 1.36e+05 assign (resid 10 and name HB# ) (resid 13 and name HG ) 4.0 2.2 2.0 ! A.36 at 4.10e+04 assign (resid 10 and name HB# ) (resid 13 and name HN ) 4.0 2.2 2.0 ! A.1150 at 3.76e+04 assign (resid 10 and name HB# ) (resid 13 and name HB# ) 4.0 2.2 2.0 ! A.1149 at 3.11e+04 assign (resid 10 and name HN ) (resid 18 and name HA ) 4.0 2.2 1.0 ! B.3 at 4.82e+05 assign (resid 10 and name HN ) (resid 19 and name HN ) 4.0 2.2 2.0 ! B.56 at 1.85e+05 ! P11 assign (resid 11 and name HB# ) (resid 11 and name HD# ) 4.0 2.2 1.0 ! A.350 at 5.17e+04 assign (resid 11 and name HD# ) (resid 11 and name HA ) 4.0 2.2 2.0 ! A.56 at 2.89e+04 assign (resid 11 and name HG# ) (resid 11 and name HA ) 4.0 2.2 1.0 ! A.360 at 1.47e+05 assign (resid 11 and name HB# ) (resid 12 and name HN ) 4.0 2.2 2.0 ! A.353 at 3.32e+04 assign (resid 11 and name HG# ) (resid 12 and name HA ) 4.0 2.2 2.0 ! A.365 at 3.60e+04 assign (resid 11 and name HD# ) (resid 12 and name HN ) 4.0 2.2 2.0 ! A.357 at 3.23e+04 assign (resid 11 and name HG# ) (resid 12 and name HN ) 4.0 2.2 1.0 ! B.64 at 2.90e+05 assign (resid 11 and name HD# ) (resid 12 and name HB# ) 4.0 2.2 2.5 ! A.370 at 3.76e+04 assign (resid 11 and name HA ) (resid 12 and name HN ) 4.0 2.2 2.0 ! B.66 at 1.17e+05 ! A12 assign (resid 12 and name HB# ) (resid 12 and name HN ) 3.5 1.7 1.0 ! B.63 at 8.25e+05 assign (resid 12 and name HA ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.81 at 1.01e+05 assign (resid 12 and name HB# ) (resid 13 and name HN ) 4.0 2.2 1.5 ! B.62 at 6.54e+05 assign (resid 12 and name HB# ) (resid 13 and name HD## ) 4.0 2.2 2.0 ! A.60 at 6.64e+04 assign (resid 12 and name HN ) (resid 13 and name HN ) 4.0 2.2 1.0 ! B.32 at 4.17e+05 assign (resid 12 and name HB# ) (resid 64 and name HE# ) 4.0 2.2 1.5 ! C.52 at 4.52e+04 assign (resid 12 and name HB# ) (resid 64 and name HD# ) 4.0 2.2 2.5 ! C.130 at 3.66e+04 assign (resid 12 and name HB# ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.262 at 5.58e+04 assign (resid 12 and name HB# ) (resid 71 and name HG# ) 4.0 2.2 1.5 ! A.67 at 7.73e+04 assign (resid 12 and name HB# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.62 at 9.64e+04 assign (resid 12 and name HB# ) (resid 71 and name HE# ) 2.5 0.7 1.2 ! A.433 at 5.69e+05 ! L13 assign (resid 13 and name HA ) (resid 13 and name HD## ) 4.0 2.2 1.5 ! A.77 at 1.41e+05 assign (resid 13 and name HA ) (resid 13 and name HG ) 4.0 2.2 2.0 ! A.378 at 4.07e+04 assign (resid 13 and name HG ) (resid 13 and name HN ) 4.0 2.2 2.0 ! B.35 at 1.74e+05 assign (resid 13 and name HD## ) (resid 13 and name HB# ) 4.0 2.2 1.5 ! A.88 at 6.01e+04 assign (resid 13 and name HD## ) (resid 13 and name HN ) 4.0 2.2 2.5 ! A.87 at 3.76e+04 assign (resid 13 and name HB# ) (resid 13 and name HN ) 4.0 2.2 2.0 ! B.36 at 1.55e+05 assign (resid 13 and name HA ) (resid 14 and name HG# ) 4.0 2.2 1.0 ! A.78 at 6.00e+04 assign (resid 13 and name HA ) (resid 14 and name HD# ) 4.0 2.2 1.0 ! A.372 at 8.59e+04 assign (resid 13 and name HB# ) (resid 14 and name HD# ) 4.0 2.2 2.0 ! A.387 at 3.27e+04 assign (resid 13 and name HG ) (resid 14 and name HD# ) 4.0 2.2 2.0 ! A.385 at 3.29e+04 assign (resid 13 and name HD## ) (resid 14 and name HD# ) 4.0 2.2 2.5 ! A.397 at 3.77e+04 assign (resid 13 and name HN ) (resid 14 and name HD# ) 4.0 2.2 2.0 ! B.34 at 1.16e+05 assign (resid 13 and name HB# ) (resid 17 and name HB# ) 4.0 2.2 2.0 ! A.380 at 4.34e+04 assign (resid 13 and name HN ) (resid 17 and name HB# ) 4.0 2.2 1.0 ! A.144 at 4.64e+04 assign (resid 13 and name HG ) (resid 17 and name HB# ) 4.0 2.2 2.0 ! A.86 at 2.99e+04 assign (resid 13 and name HB# ) (resid 17 and name HN ) 4.0 2.2 2.0 ! B.81 at 8.50e+04 assign (resid 13 and name HD## ) (resid 51 and name HD* ) 4.0 2.2 2.0 ! A.90 at 8.93e+04 assign (resid 13 and name HA ) (resid 55 and name HD* ) 4.0 2.2 1.5 ! A.1190 at 4.57e+04 assign (resid 13 and name HG ) (resid 55 and name HD2# ) 4.0 2.2 1.5 ! A.934 at 6.57e+04 assign (resid 13 and name HD## ) (resid 55 and name HD2# ) 4.0 2.2 2.0 ! A.926 at 7.44e+04 assign (resid 13 and name HD## ) (resid 55 and name HB# ) 4.0 2.2 1.5 ! A.1135 at 5.24e+04 assign (resid 13 and name HD## ) (resid 55 and name HD* ) 4.0 2.2 3.0 ! A.281 at 3.64e+04 assign (resid 13 and name HD## ) (resid 59 and name HG1# ) 4.0 2.2 2.0 ! A.992 at 1.01e+05 assign (resid 13 and name HA ) (resid 59 and name HG1# ) 4.0 2.2 1.5 ! A.986 at 6.39e+04 assign (resid 13 and name HD## ) (resid 61 and name HG ) 4.0 2.2 1.5 ! A.1039 at 7.64e+04 ! P14 assign (resid 14 and name HB# ) (resid 15 and name HD# ) 4.0 2.2 2.0 ! A.393 at 4.17e+04 assign (resid 14 and name HA ) (resid 15 and name HD# ) 4.0 2.2 1.0 ! A.124 at 1.14e+05 assign (resid 14 and name HA ) (resid 15 and name HG# ) 4.0 2.2 1.0 ! A.127 at 8.20e+04 assign (resid 14 and name HB# ) (resid 17 and name HD1 ) 4.0 2.2 2.0 ! A.389 at 3.61e+04 assign (resid 14 and name HB# ) (resid 17 and name HE1 ) 4.0 2.2 1.0 ! B.446 at 5.74e+05 assign (resid 14 and name HD# ) (resid 55 and name HD* ) 4.0 2.2 2.5 ! A.398 at 3.34e+04 assign (resid 14 and name HD# ) (resid 55 and name HD2# ) 4.0 2.2 1.5 ! A.183 at 6.75e+04 assign (resid 14 and name HG# ) (resid 55 and name HD2# ) 4.0 2.2 1.5 ! A.927 at 1.02e+05 assign (resid 14 and name HD# ) (resid 59 and name HG2# ) 4.0 2.2 2.5 ! A.402 at 3.91e+04 assign (resid 14 and name HD# ) (resid 59 and name HG1# ) 4.0 2.2 1.5 ! A.403 at 6.27e+04 ! P15 assign (resid 15 and name HB# ) (resid 15 and name HD# ) 4.0 2.2 1.0 ! A.786 at 9.20e+04 assign (resid 15 and name HD# ) (resid 15 and name HA ) 4.0 2.2 2.0 ! A.119 at 3.86e+04 assign (resid 15 and name HG# ) (resid 15 and name HA ) 4.0 2.2 1.0 ! A.129 at 9.62e+04 assign (resid 15 and name HB# ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.107 at 4.46e+04 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.4 ! B.73 at 1.35e+06 assign (resid 15 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.103 at 7.26e+04 ! G16 assign (resid 16 and name HA# ) (resid 17 and name HN ) 4.0 2.2 1.0 ! B.79 at 3.04e+05 assign (resid 16 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! B.74 at 5.12e+05 assign (resid 16 and name HA# ) (resid 40 and name HG# ) 4.0 2.2 2.0 ! A.408 at 3.61e+04 assign (resid 16 and name HA# ) (resid 40 and name HB# ) 4.0 2.2 1.0 ! A.1107 at 5.33e+04 ! W17 assign (resid 17 and name HB# ) (resid 17 and name HN ) 3.5 1.7 0.5 ! B.80 at 1.04e+06 assign (resid 17 and name HN ) (resid 17 and name HE1 ) 4.0 2.2 2.0 ! B.448 at 1.24e+05 assign (resid 17 and name HD1 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! C.3 at 6.04e+04 assign (resid 17 and name HE3 ) (resid 17 and name HB# ) 3.5 1.7 0.3 ! C.6 at 7.82e+04 assign (resid 17 and name HZ2 ) (resid 17 and name HH2 ) 3.5 1.7 0.3 ! C.40 at 1.51e+05 assign (resid 17 and name HB# ) (resid 18 and name HN ) 4.0 2.2 1.0 ! B.86 at 3.20e+05 assign (resid 17 and name HN ) (resid 18 and name HN ) 4.0 2.2 2.0 ! B.89 at 1.44e+05 assign (resid 17 and name HA ) (resid 18 and name HN ) 2.5 0.7 0.4 ! B.85 at 1.21e+06 assign (resid 17 and name HE3 ) (resid 37 and name HD# ) 4.0 2.2 2.0 ! C.4 at 3.63e+04 assign (resid 17 and name HZ2 ) (resid 40 and name HD# ) 4.0 2.2 1.0 ! A.687 at 4.86e+04 assign (resid 17 and name HZ3 ) (resid 45 and name HE# ) 4.0 2.2 1.0 ! C.18 at 4.38e+04 assign (resid 17 and name HH2 ) (resid 45 and name HD# ) 4.0 2.2 1.0 ! C.11 at 5.76e+04 assign (resid 17 and name HH2 ) (resid 45 and name HE# ) 4.0 2.2 2.0 ! C.17 at 4.10e+04 assign (resid 17 and name HZ3 ) (resid 45 and name HD# ) 4.0 2.2 2.0 ! C.116 at 3.85e+04 assign (resid 17 and name HH2 ) (resid 51 and name HD* ) 4.0 2.2 2.5 ! C.7 at 4.03e+04 assign (resid 17 and name HZ3 ) (resid 51 and name HD* ) 4.0 2.2 2.5 ! C.46 at 3.71e+04 assign (resid 17 and name HZ2 ) (resid 54 and name HB# ) 4.0 2.2 1.0 ! A.906 at 7.84e+04 assign (resid 17 and name HE1 ) (resid 54 and name HE# ) 4.0 2.2 2.0 ! B.451 at 1.33e+05 assign (resid 17 and name HZ2 ) (resid 54 and name HD# ) 3.5 1.7 0.3 ! C.21 at 1.04e+05 assign (resid 17 and name HH2 ) (resid 54 and name HD# ) 3.5 1.7 0.3 ! C.12 at 1.05e+05 assign (resid 17 and name HZ2 ) (resid 54 and name HE# ) 3.5 1.7 0.3 ! C.39 at 1.42e+05 assign (resid 17 and name HH2 ) (resid 54 and name HE# ) 4.0 2.2 1.0 ! C.13 at 6.71e+04 assign (resid 17 and name HZ2 ) (resid 55 and name HG ) 4.0 2.2 2.0 ! A.938 at 3.61e+04 assign (resid 17 and name HZ2 ) (resid 55 and name HD2# ) 4.0 2.2 1.5 ! A.423 at 1.50e+05 assign (resid 17 and name HH2 ) (resid 55 and name HD2# ) 4.0 2.2 1.5 ! A.925 at 4.44e+04 assign (resid 17 and name HZ2 ) (resid 55 and name HB# ) 4.0 2.2 2.0 ! C.124 at 3.04e+04 assign (resid 17 and name HE1 ) (resid 55 and name HD* ) 4.0 2.2 2.5 ! B.450 at 1.10e+05 assign (resid 17 and name HZ2 ) (resid 55 and name HD* ) 3.5 1.7 0.8 ! C.42 at 7.90e+04 ! K18 assign (resid 18 and name HD# ) (resid 18 and name HA ) 4.0 2.2 2.0 ! A.166 at 3.58e+04 assign (resid 18 and name HD# ) (resid 18 and name HB# ) 4.0 2.2 1.0 ! A.169 at 1.09e+05 assign (resid 18 and name HG# ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.172 at 5.59e+04 assign (resid 18 and name HG# ) (resid 18 and name HE# ) 3.5 1.7 0.3 ! A.176 at 2.29e+05 assign (resid 18 and name HG# ) (resid 18 and name HA ) 4.0 2.2 1.0 ! A.156 at 8.96e+04 assign (resid 18 and name HB# ) (resid 18 and name HN ) 4.0 2.2 1.0 ! B.88 at 5.05e+05 assign (resid 18 and name HG# ) (resid 19 and name HN ) 4.0 2.2 2.0 ! A.173 at 3.30e+04 assign (resid 18 and name HB# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.90 at 3.51e+05 assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.91 at 5.40e+05 assign (resid 18 and name HN ) (resid 38 and name HN ) 4.0 2.2 1.0 ! B.174 at 3.78e+05 assign (resid 18 and name HB# ) (resid 38 and name HN ) 4.0 2.2 2.0 ! B.240 at 1.78e+05 ! K19 assign (resid 19 and name HG# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.193 at 4.72e+04 assign (resid 19 and name HG# ) (resid 19 and name HA ) 4.0 2.2 2.0 ! A.194 at 3.89e+04 assign (resid 19 and name HB# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.441 at 5.03e+04 assign (resid 19 and name HD# ) (resid 20 and name HN ) 4.0 2.2 2.0 ! A.164 at 3.81e+04 assign (resid 19 and name HG# ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.102 at 2.43e+05 assign (resid 19 and name HD# ) (resid 35 and name HG1# ) 4.0 2.2 1.5 ! A.447 at 4.84e+04 assign (resid 19 and name HE# ) (resid 35 and name HG* ) 4.0 2.2 1.5 ! A.181 at 6.57e+04 assign (resid 19 and name HB# ) (resid 35 and name HG1# ) 4.0 2.2 1.5 ! A.448 at 1.05e+05 assign (resid 19 and name HA ) (resid 37 and name HA ) 4.0 2.2 1.0 ! A.435 at 6.52e+04 assign (resid 19 and name HA ) (resid 37 and name HD# ) 4.0 2.2 1.0 ! C.71 at 4.39e+04 assign (resid 19 and name HD# ) (resid 37 and name HD# ) 4.0 2.2 1.0 ! C.70 at 5.47e+04 assign (resid 19 and name HA ) (resid 38 and name HN ) 4.0 2.2 2.0 ! B.241 at 1.66e+05 assign (resid 19 and name HA ) (resid 38 and name HD# ) 4.0 2.2 2.0 ! C.84 at 3.17e+04 assign (resid 19 and name HE# ) (resid 68 and name HA ) 4.0 2.2 2.0 ! A.1053 at 3.94e+04 assign (resid 19 and name HE# ) (resid 69 and name HA# ) 4.0 2.2 1.0 ! A.185 at 4.52e+04 ! E20 assign (resid 20 and name HB# ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.104 at 4.31e+05 assign (resid 20 and name HA ) (resid 21 and name HB# ) 4.0 2.2 1.0 ! A.219 at 5.31e+04 assign (resid 20 and name HB# ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.455 at 1.19e+05 assign (resid 20 and name HN ) (resid 21 and name HN ) 4.0 2.2 1.0 ! B.108 at 2.20e+05 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.4 ! B.110 at 1.98e+06 assign (resid 20 and name HB# ) (resid 22 and name HG* ) 4.0 2.2 1.5 ! A.197 at 1.45e+05 assign (resid 20 and name HN ) (resid 35 and name HG1# ) 4.0 2.2 2.5 ! B.100 at 1.27e+05 assign (resid 20 and name HB# ) (resid 36 and name HD# ) 4.0 2.2 2.0 ! A.454 at 4.19e+04 assign (resid 20 and name HB# ) (resid 36 and name HB# ) 4.0 2.2 2.0 ! A.199 at 3.94e+04 assign (resid 20 and name HN ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.423 at 3.91e+05 assign (resid 20 and name HN ) (resid 37 and name HA ) 4.0 2.2 2.0 ! B.97 at 1.81e+05 assign (resid 20 and name HN ) (resid 37 and name HD# ) 4.0 2.2 2.0 ! B.98 at 1.00e+05 assign (resid 20 and name HB# ) (resid 38 and name HD# ) 4.0 2.2 2.0 ! A.203 at 4.06e+04 assign (resid 20 and name HB# ) (resid 38 and name HE# ) 4.0 2.2 1.0 ! A.202 at 6.81e+04 assign (resid 20 and name HN ) (resid 38 and name HE# ) 4.0 2.2 2.0 ! B.99 at 9.18e+04 ! E21 assign (resid 21 and name HB# ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.221 at 8.35e+04 assign (resid 21 and name HG# ) (resid 21 and name HA ) 4.0 2.2 1.0 ! A.229 at 6.39e+04 assign (resid 21 and name HG# ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.231 at 4.58e+04 assign (resid 21 and name HB# ) (resid 22 and name HN ) 4.0 2.2 2.0 ! A.223 at 3.33e+04 assign (resid 21 and name HN ) (resid 22 and name HG2# ) 4.0 2.2 2.5 ! B.112 at 1.40e+05 assign (resid 21 and name HA ) (resid 22 and name HG2# ) 4.0 2.2 1.5 ! A.209 at 6.29e+04 assign (resid 21 and name HG# ) (resid 22 and name HN ) 4.0 2.2 2.0 ! A.232 at 3.63e+04 assign (resid 21 and name HA ) (resid 22 and name HB ) 4.0 2.2 2.0 ! A.246 at 3.35e+04 assign (resid 21 and name HA ) (resid 22 and name HG* ) 4.0 2.2 1.5 ! A.208 at 8.28e+04 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.4 ! B.7 at 1.15e+06 assign (resid 21 and name HN ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.107 at 2.20e+05 assign (resid 21 and name HG# ) (resid 23 and name HD1# ) 4.0 2.2 1.5 ! A.1147 at 1.04e+05 assign (resid 21 and name HG# ) (resid 33 and name HB# ) 4.0 2.2 1.0 ! A.225 at 5.02e+04 assign (resid 21 and name HB# ) (resid 35 and name HG* ) 4.0 2.2 1.5 ! A.216 at 6.12e+04 assign (resid 21 and name HA ) (resid 35 and name HG* ) 4.0 2.2 1.5 ! A.204 at 4.97e+04 assign (resid 21 and name HA ) (resid 35 and name HA ) 4.0 2.2 1.0 ! A.213 at 1.39e+05 assign (resid 21 and name HG# ) (resid 35 and name HG* ) 4.0 2.2 2.5 ! A.228 at 3.88e+04 assign (resid 21 and name HN ) (resid 35 and name HA ) 4.0 2.2 2.0 ! B.111 at 1.07e+05 assign (resid 21 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.229 at 2.92e+05 ! V22 assign (resid 22 and name HG1# ) (resid 22 and name HN ) 4.0 2.2 1.5 ! A.461 at 6.35e+04 assign (resid 22 and name HG1# ) (resid 22 and name HA ) 2.5 0.7 0.7 ! A.235 at 3.48e+05 assign (resid 22 and name HG2# ) (resid 22 and name HN ) 4.0 2.2 1.5 ! A.248 at 1.35e+05 assign (resid 22 and name HA ) (resid 22 and name HG* ) 2.5 0.7 0.7 ! A.234 at 4.36e+05 assign (resid 22 and name HB ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.245 at 7.64e+04 assign (resid 22 and name HG* ) (resid 22 and name HN ) 4.0 2.2 1.5 ! B.9 at 7.40e+05 assign (resid 22 and name HG1# ) (resid 23 and name HB ) 4.0 2.2 1.5 ! A.463 at 8.10e+04 assign (resid 22 and name HG1# ) (resid 23 and name HG1# ) 3.5 1.7 0.8 ! A.252 at 1.61e+05 assign (resid 22 and name HG1# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.249 at 1.49e+05 assign (resid 22 and name HG2# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.467 at 7.36e+04 assign (resid 22 and name HA ) (resid 23 and name HG1# ) 4.0 2.2 2.0 ! A.240 at 4.31e+04 assign (resid 22 and name HG* ) (resid 23 and name HN ) 4.0 2.2 1.5 ! B.5 at 4.31e+05 assign (resid 22 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0 ! B.430 at 2.08e+05 assign (resid 22 and name HN ) (resid 35 and name HG2# ) 4.0 2.2 2.5 ! A.297 at 4.12e+04 assign (resid 22 and name HN ) (resid 35 and name HA ) 4.0 2.2 1.0 ! A.1182 at 8.47e+04 assign (resid 22 and name HG1# ) (resid 36 and name HE# ) 4.0 2.2 1.5 ! A.460 at 5.32e+04 assign (resid 22 and name HG2# ) (resid 36 and name HE# ) 4.0 2.2 1.5 ! A.251 at 1.37e+05 assign (resid 22 and name HG2# ) (resid 36 and name HD# ) 4.0 2.2 1.5 ! C.56 at 6.08e+04 assign (resid 22 and name HB ) (resid 36 and name HE# ) 3.5 1.7 0.3 ! C.64 at 1.06e+05 ! I23 assign (resid 23 and name HG1# ) (resid 23 and name HN ) 4.0 2.2 1.0 ! B.114 at 2.16e+05 assign (resid 23 and name HG1# ) (resid 23 and name HA ) 4.0 2.2 1.0 ! A.509 at 7.18e+04 assign (resid 23 and name HG2# ) (resid 23 and name HA ) 2.5 0.7 0.7 ! A.502 at 3.35e+05 assign (resid 23 and name HG2# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.494 at 1.13e+05 assign (resid 23 and name HB ) (resid 23 and name HN ) 3.5 1.7 0.5 ! A.474 at 1.67e+05 assign (resid 23 and name HD1# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.485 at 1.16e+05 assign (resid 23 and name HD1# ) (resid 23 and name HB ) 2.5 0.7 0.7 ! A.487 at 3.78e+05 assign (resid 23 and name HA ) (resid 24 and name HN ) 4.0 2.2 1.0 ! B.122 at 7.86e+05 assign (resid 23 and name HG2# ) (resid 24 and name HN ) 4.0 2.2 1.5 ! B.116 at 4.22e+05 assign (resid 23 and name HD1# ) (resid 24 and name HN ) 4.0 2.2 1.5 ! A.492 at 6.67e+04 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.0 2.2 2.0 ! B.123 at 1.84e+05 assign (resid 23 and name HG2# ) (resid 25 and name HA ) 4.0 2.2 1.5 ! A.523 at 5.73e+04 assign (resid 23 and name HG2# ) (resid 31 and name HA# ) 4.0 2.2 1.5 ! A.499 at 1.41e+05 assign (resid 23 and name HG2# ) (resid 31 and name HN ) 4.0 2.2 1.5 ! B.117 at 3.23e+05 assign (resid 23 and name HG1# ) (resid 33 and name HB# ) 4.0 2.2 2.0 ! A.634 at 4.13e+04 assign (resid 23 and name HA ) (resid 33 and name HB# ) 4.0 2.2 1.0 ! A.472 at 8.09e+04 assign (resid 23 and name HD1# ) (resid 33 and name HB# ) 4.0 2.2 1.5 ! A.480 at 1.08e+05 assign (resid 23 and name HA ) (resid 33 and name HA ) 4.0 2.2 1.0 ! A.470 at 1.32e+05 assign (resid 23 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 2.5 ! A.497 at 4.36e+04 assign (resid 23 and name HG2# ) (resid 33 and name HB# ) 4.0 2.2 1.5 ! A.500 at 7.17e+04 assign (resid 23 and name HG2# ) (resid 33 and name HA ) 4.0 2.2 2.5 ! A.624 at 4.26e+04 assign (resid 23 and name HD1# ) (resid 33 and name HA ) 4.0 2.2 1.5 ! A.481 at 7.39e+04 ! R24 assign (resid 24 and name HA ) (resid 24 and name HE ) 4.0 2.2 1.0 ! D.41 at 6.44e+06 assign (resid 24 and name HH12 ) (resid 24 and name HE ) 4.0 2.2 1.0 ! D.32 at 2.69e+07 assign (resid 24 and name HH11 ) (resid 24 and name HE ) 4.0 2.2 1.0 ! D.33 at 2.86e+07 assign (resid 24 and name HN ) (resid 24 and name HE ) 4.0 2.2 1.0 ! D.31 at 6.60e+06 assign (resid 24 and name HD# ) (resid 25 and name HG# ) 4.0 2.2 2.0 ! A.1179 at 4.06e+04 assign (resid 24 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0 ! B.149 at 4.77e+05 assign (resid 24 and name HD# ) (resid 29 and name HB# ) 4.0 2.2 2.0 ! A.1138 at 3.01e+04 assign (resid 24 and name HN ) (resid 31 and name HN ) 4.0 2.2 2.0 ! B.198 at 1.08e+05 assign (resid 24 and name HN ) (resid 32 and name HN ) 4.0 2.2 2.0 ! B.171 at 9.07e+04 assign (resid 24 and name HE ) (resid 32 and name HB# ) 4.0 2.2 1.0 ! D.57 at 4.38e+07 assign (resid 24 and name HN ) (resid 33 and name HA ) 4.0 2.2 2.0 ! B.120 at 1.60e+05 assign (resid 24 and name HN ) (resid 33 and name HB# ) 4.0 2.2 2.0 ! B.121 at 1.21e+05 assign (resid 24 and name HE ) (resid 33 and name HA ) 4.0 2.2 1.0 ! D.53 at 3.67e+06 assign (resid 24 and name HE ) (resid 105 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 ! D.37 at 3.09e+07 ! K25 assign (resid 25 and name HD# ) (resid 25 and name HA ) 4.0 2.2 1.0 ! A.533 at 8.24e+04 assign (resid 25 and name HG# ) (resid 25 and name HE# ) 4.0 2.2 1.0 ! A.537 at 4.64e+04 assign (resid 25 and name HG# ) (resid 25 and name HA ) 4.0 2.2 1.0 ! A.535 at 9.12e+04 assign (resid 25 and name HG# ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.534 at 4.88e+04 assign (resid 25 and name HB# ) (resid 25 and name HN ) 3.5 1.7 0.5 ! B.125 at 9.13e+05 assign (resid 25 and name HB# ) (resid 25 and name HE# ) 4.0 2.2 1.0 ! A.529 at 7.86e+04 assign (resid 25 and name HB# ) (resid 26 and name HB# ) 4.0 2.2 1.0 ! A.541 at 7.65e+04 assign (resid 25 and name HN ) (resid 26 and name HB# ) 4.0 2.2 1.0 ! A.546 at 5.36e+04 assign (resid 25 and name HA ) (resid 26 and name HN ) 4.0 2.2 1.0 ! B.154 at 3.95e+05 assign (resid 25 and name HB# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! B.151 at 6.69e+05 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.5 1.7 0.5 ! B.158 at 8.38e+05 assign (resid 25 and name HA ) (resid 30 and name HB# ) 4.0 2.2 1.5 ! A.522 at 8.43e+04 ! S26 assign (resid 26 and name HB# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! B.152 at 5.19e+05 assign (resid 26 and name HB# ) (resid 27 and name HN ) 3.5 1.7 0.5 ! A.544 at 1.98e+05 assign (resid 26 and name HA ) (resid 27 and name HA# ) 4.0 2.2 1.0 ! A.552 at 7.33e+04 assign (resid 26 and name HN ) (resid 27 and name HN ) 4.0 2.2 2.0 ! B.477 at 1.63e+05 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.5 1.7 0.5 ! B.193 at 9.97e+05 assign (resid 26 and name HN ) (resid 30 and name HA ) 4.0 2.2 2.0 ! B.126 at 1.17e+05 assign (resid 26 and name HN ) (resid 30 and name HB# ) 4.0 2.2 1.5 ! B.150 at 2.45e+05 ! G27 assign (resid 27 and name HA# ) (resid 28 and name HB# ) 4.0 2.2 2.0 ! A.1183 at 4.07e+04 assign (resid 27 and name HA# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! B.145 at 6.29e+05 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.0 2.2 2.0 ! B.195 at 1.40e+05 assign (resid 27 and name HA# ) (resid 30 and name HB# ) 4.0 2.2 2.5 ! A.555 at 4.37e+04 assign (resid 27 and name HN ) (resid 30 and name HB# ) 4.0 2.2 1.5 ! B.159 at 2.18e+05 assign (resid 27 and name HN ) (resid 30 and name HN ) 4.0 2.2 2.0 ! B.139 at 9.48e+04 ! L28 assign (resid 28 and name HG ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.521 at 9.66e+04 assign (resid 28 and name HG ) (resid 28 and name HA ) 4.0 2.2 1.0 ! A.572 at 1.03e+05 assign (resid 28 and name HD* ) (resid 28 and name HA ) 4.0 2.2 1.5 ! A.590 at 1.14e+05 assign (resid 28 and name HD* ) (resid 28 and name HB# ) 3.5 1.7 0.8 ! A.567 at 2.16e+05 assign (resid 28 and name HD* ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.571 at 7.97e+04 assign (resid 28 and name HB# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.561 at 6.52e+04 assign (resid 28 and name HA ) (resid 29 and name HN ) 4.0 2.2 2.0 ! A.557 at 3.69e+04 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.0 2.2 1.0 ! B.127 at 3.41e+05 assign (resid 28 and name HD* ) (resid 29 and name HN ) 4.0 2.2 2.5 ! B.132 at 1.32e+05 assign (resid 28 and name HB# ) (resid 29 and name HN ) 4.0 2.2 1.0 ! B.134 at 2.09e+05 assign (resid 28 and name HA ) (resid 30 and name HB# ) 4.0 2.2 2.5 ! A.601 at 2.87e+04 assign (resid 28 and name HG ) (resid 30 and name HN ) 4.0 2.2 2.0 ! B.136 at 1.32e+05 assign (resid 28 and name HA ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.473 at 2.69e+05 assign (resid 28 and name HN ) (resid 30 and name HN ) 4.0 2.2 2.0 ! B.141 at 1.63e+05 ! S29 assign (resid 29 and name HB# ) (resid 29 and name HN ) 4.0 2.2 1.0 ! B.131 at 3.48e+05 assign (resid 29 and name HB# ) (resid 30 and name HN ) 4.0 2.2 2.0 ! B.474 at 1.68e+05 assign (resid 29 and name HA ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.472 at 4.76e+05 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.129 at 3.60e+05 ! A30 assign (resid 30 and name HB# ) (resid 30 and name HN ) 2.5 0.7 0.9 ! B.135 at 2.11e+06 assign (resid 30 and name HB# ) (resid 31 and name HA# ) 4.0 2.2 1.5 ! A.1188 at 8.56e+04 assign (resid 30 and name HB# ) (resid 31 and name HN ) 4.0 2.2 1.5 ! B.118 at 5.35e+05 assign (resid 30 and name HN ) (resid 31 and name HN ) 4.0 2.2 2.0 ! B.199 at 1.01e+05 assign (resid 30 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.589 at 4.66e+04 ! G31 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.0 2.2 1.0 ! B.197 at 4.52e+05 assign (resid 31 and name HA# ) (resid 32 and name HN ) 4.0 2.2 1.0 ! B.203 at 2.46e+05 ! K32 assign (resid 32 and name HD# ) (resid 32 and name HA ) 4.0 2.2 2.0 ! A.615 at 3.45e+04 assign (resid 32 and name HG# ) (resid 32 and name HE# ) 4.0 2.2 1.0 ! A.621 at 6.50e+04 assign (resid 32 and name HG# ) (resid 32 and name HA ) 4.0 2.2 1.0 ! A.620 at 8.69e+04 assign (resid 32 and name HG# ) (resid 32 and name HN ) 4.0 2.2 1.0 ! B.202 at 2.71e+05 assign (resid 32 and name HA ) (resid 32 and name HE# ) 4.0 2.2 1.0 ! A.1236 at 4.95e+04 assign (resid 32 and name HB# ) (resid 32 and name HN ) 4.0 2.2 1.0 ! B.201 at 6.45e+05 assign (resid 32 and name HG# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.618 at 5.52e+04 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.0 2.2 2.0 ! B.211 at 1.45e+05 assign (resid 32 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.4 ! B.208 at 1.24e+06 assign (resid 32 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.210 at 2.91e+05 ! S33 assign (resid 33 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.209 at 4.85e+05 assign (resid 33 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! B.218 at 5.28e+05 assign (resid 33 and name HB# ) (resid 34 and name HN ) 4.0 2.2 1.0 ! B.215 at 3.42e+05 assign (resid 33 and name HB# ) (resid 35 and name HG2# ) 4.0 2.2 1.5 ! A.304 at 5.66e+04 ! D34 assign (resid 34 and name HB# ) (resid 34 and name HN ) 4.0 2.2 2.0 ! B.213 at 1.18e+05 assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! B.222 at 6.59e+05 assign (resid 34 and name HA ) (resid 35 and name HB ) 4.0 2.2 1.0 ! A.639 at 6.97e+04 assign (resid 34 and name HA ) (resid 35 and name HG2# ) 4.0 2.2 1.5 ! A.302 at 6.61e+04 assign (resid 34 and name HN ) (resid 35 and name HG2# ) 4.0 2.2 2.5 ! B.212 at 9.38e+04 ! V35 assign (resid 35 and name HG2# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! B.220 at 2.64e+05 assign (resid 35 and name HG2# ) (resid 35 and name HA ) 3.5 1.7 0.8 ! A.301 at 2.01e+05 assign (resid 35 and name HG1# ) (resid 35 and name HN ) 4.0 2.2 2.5 ! B.219 at 1.27e+05 assign (resid 35 and name HA ) (resid 35 and name HG1# ) 4.0 2.2 1.5 ! A.643 at 1.49e+05 assign (resid 35 and name HB ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.648 at 6.54e+04 assign (resid 35 and name HG2# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! B.225 at 3.87e+05 assign (resid 35 and name HG2# ) (resid 36 and name HD# ) 4.0 2.2 1.5 ! A.299 at 4.76e+04 assign (resid 35 and name HG1# ) (resid 36 and name HD# ) 4.0 2.2 1.5 ! A.288 at 8.36e+04 assign (resid 35 and name HG2# ) (resid 36 and name HE# ) 4.0 2.2 2.5 ! A.300 at 4.13e+04 assign (resid 35 and name HA ) (resid 36 and name HN ) 2.5 0.7 0.4 ! B.217 at 1.40e+06 assign (resid 35 and name HG1# ) (resid 36 and name HA ) 4.0 2.2 1.5 ! A.654 at 4.82e+04 assign (resid 35 and name HB ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.226 at 2.30e+05 assign (resid 35 and name HG1# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! B.224 at 7.11e+05 assign (resid 35 and name HG1# ) (resid 37 and name HE# ) 4.0 2.2 1.5 ! C.81 at 5.05e+04 assign (resid 35 and name HG1# ) (resid 37 and name HD# ) 4.0 2.2 1.5 ! A.291 at 6.58e+04 assign (resid 35 and name HB ) (resid 66 and name HD# ) 4.0 2.2 1.0 ! C.109 at 4.89e+04 assign (resid 35 and name HG2# ) (resid 67 and name HG# ) 4.0 2.2 1.5 ! A.311 at 1.27e+05 assign (resid 35 and name HG2# ) (resid 67 and name HA ) 4.0 2.2 1.5 ! A.308 at 8.95e+04 assign (resid 35 and name HG2# ) (resid 67 and name HD# ) 4.0 2.2 1.5 ! A.1140 at 6.70e+04 assign (resid 35 and name HG1# ) (resid 67 and name HA ) 4.0 2.2 1.5 ! A.309 at 4.75e+04 assign (resid 35 and name HG2# ) (resid 67 and name HE ) 4.0 2.2 1.5 ! D.25 at 5.05e+06 assign (resid 35 and name HG2# ) (resid 68 and name HG2# ) 4.0 2.2 2.0 ! A.1175 at 1.42e+05 ! Y36 assign (resid 36 and name HD# ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.172 at 2.15e+05 assign (resid 36 and name HB# ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.228 at 3.97e+05 assign (resid 36 and name HD# ) (resid 36 and name HA ) 3.5 1.7 0.3 ! C.59 at 1.01e+05 assign (resid 36 and name HD# ) (resid 36 and name HB# ) 3.5 1.7 0.3 ! C.60 at 1.51e+05 assign (resid 36 and name HE# ) (resid 36 and name HB# ) 4.0 2.2 1.0 ! C.69 at 4.15e+04 assign (resid 36 and name HE# ) (resid 36 and name HA ) 4.0 2.2 2.0 ! C.68 at 3.70e+04 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.5 1.7 0.5 ! B.236 at 8.34e+05 assign (resid 36 and name HB# ) (resid 37 and name HN ) 4.0 2.2 1.0 ! B.233 at 4.45e+05 assign (resid 36 and name HD# ) (resid 37 and name HN ) 4.0 2.2 1.0 ! B.238 at 2.49e+05 assign (resid 36 and name HE# ) (resid 46 and name HD# ) 4.0 2.2 1.0 ! C.66 at 4.12e+04 ! Y37 assign (resid 37 and name HB# ) (resid 37 and name HD# ) 4.0 2.2 1.0 ! A.663 at 7.10e+04 assign (resid 37 and name HB# ) (resid 37 and name HE# ) 4.0 2.2 2.0 ! A.666 at 3.36e+04 assign (resid 37 and name HA ) (resid 37 and name HD# ) 4.0 2.2 1.0 ! A.658 at 8.14e+04 assign (resid 37 and name HB# ) (resid 37 and name HN ) 4.0 2.2 1.0 ! B.234 at 2.38e+05 assign (resid 37 and name HD# ) (resid 37 and name HN ) 4.0 2.2 1.0 ! C.76 at 6.59e+04 assign (resid 37 and name HA ) (resid 38 and name HN ) 3.5 1.7 0.5 ! B.242 at 8.53e+05 assign (resid 37 and name HB# ) (resid 38 and name HN ) 4.0 2.2 1.0 ! B.243 at 2.87e+05 assign (resid 37 and name HD# ) (resid 38 and name HN ) 4.0 2.2 2.0 ! C.77 at 3.52e+04 assign (resid 37 and name HN ) (resid 45 and name HN ) 4.0 2.2 1.0 ! B.173 at 3.19e+05 assign (resid 37 and name HD# ) (resid 51 and name HD* ) 4.0 2.2 1.5 ! A.415 at 8.74e+04 assign (resid 37 and name HB# ) (resid 51 and name HD* ) 4.0 2.2 2.5 ! A.667 at 4.26e+04 assign (resid 37 and name HE# ) (resid 64 and name HE# ) 4.0 2.2 2.0 ! C.106 at 4.07e+04 ! F38 assign (resid 38 and name HA ) (resid 38 and name HD# ) 4.0 2.2 1.0 ! A.861 at 6.07e+04 assign (resid 38 and name HD# ) (resid 38 and name HN ) 4.0 2.2 2.0 ! C.82 at 3.84e+04 assign (resid 38 and name HE# ) (resid 38 and name HA ) 4.0 2.2 1.0 ! C.127 at 5.67e+04 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.859 at 1.60e+05 assign (resid 38 and name HB# ) (resid 42 and name HA# ) 4.0 2.2 2.0 ! A.699 at 3.98e+04 assign (resid 38 and name HE# ) (resid 44 and name HD# ) 4.0 2.2 1.0 ! C.93 at 5.03e+04 assign (resid 38 and name HD# ) (resid 44 and name HD# ) 4.0 2.2 2.0 ! A.738 at 3.55e+04 assign (resid 38 and name HA ) (resid 44 and name HA ) 4.0 2.2 1.0 ! A.724 at 4.47e+04 assign (resid 38 and name HB# ) (resid 44 and name HA ) 4.0 2.2 2.0 ! A.725 at 3.67e+04 assign (resid 38 and name HE# ) (resid 44 and name HA ) 4.0 2.2 1.0 ! A.723 at 5.07e+04 assign (resid 38 and name HE# ) (resid 44 and name HB# ) 4.0 2.2 1.0 ! C.90 at 7.28e+04 assign (resid 38 and name HE# ) (resid 44 and name HE# ) 3.5 1.7 0.3 ! C.89 at 7.99e+04 assign (resid 38 and name HB# ) (resid 45 and name HE# ) 4.0 2.2 2.0 ! A.1202 at 2.92e+04 assign (resid 38 and name HA ) (resid 45 and name HE# ) 4.0 2.2 2.0 ! A.862 at 4.20e+04 assign (resid 38 and name HA ) (resid 45 and name HD# ) 4.0 2.2 2.0 ! A.863 at 4.39e+04 ! S39 assign (resid 39 and name HB# ) (resid 39 and name HN ) 4.0 2.2 2.0 ! A.1206 at 3.25e+04 assign (resid 39 and name HB# ) (resid 40 and name HD# ) 4.0 2.2 2.0 ! A.1213 at 4.34e+04 assign (resid 39 and name HA ) (resid 40 and name HD# ) 4.0 2.2 1.0 ! A.593 at 8.00e+04 assign (resid 39 and name HN ) (resid 42 and name HN ) 4.0 2.2 2.0 ! B.253 at 1.50e+05 assign (resid 39 and name HB# ) (resid 43 and name HB# ) 4.0 2.2 1.0 ! A.1214 at 5.18e+04 assign (resid 39 and name HN ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.176 at 3.14e+05 assign (resid 39 and name HN ) (resid 43 and name HB# ) 4.0 2.2 1.0 ! B.244 at 2.85e+05 assign (resid 39 and name HB# ) (resid 45 and name HE# ) 4.0 2.2 2.0 ! A.418 at 3.49e+04 assign (resid 39 and name HN ) (resid 45 and name HD# ) 4.0 2.2 1.0 ! B.177 at 2.70e+05 assign (resid 39 and name HA ) (resid 51 and name HD* ) 4.0 2.2 1.5 ! A.845 at 6.35e+04 ! P40 assign (resid 40 and name HA ) (resid 40 and name HG# ) 4.0 2.2 1.0 ! A.676 at 1.06e+05 assign (resid 40 and name HA ) (resid 40 and name HD# ) 4.0 2.2 1.0 ! A.679 at 6.18e+04 assign (resid 40 and name HG# ) (resid 54 and name HE# ) 4.0 2.2 2.0 ! C.37 at 2.79e+04 ! S41 assign (resid 41 and name HA ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.691 at 4.94e+04 ! G42 assign (resid 42 and name HA# ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.165 at 4.35e+05 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.5 1.7 0.5 ! B.252 at 1.00e+06 assign (resid 42 and name HN ) (resid 43 and name HB# ) 4.0 2.2 1.0 ! B.250 at 2.84e+05 ! K43 assign (resid 43 and name HA ) (resid 43 and name HG# ) 4.0 2.2 1.0 ! A.704 at 1.03e+05 assign (resid 43 and name HB# ) (resid 43 and name HN ) 2.5 0.7 0.4 ! B.168 at 1.91e+06 assign (resid 43 and name HG# ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.166 at 2.70e+05 assign (resid 43 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.4 ! B.263 at 2.32e+06 assign (resid 43 and name HA ) (resid 44 and name HB# ) 4.0 2.2 1.0 ! A.733 at 6.75e+04 assign (resid 43 and name HB# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.713 at 8.18e+04 assign (resid 43 and name HG# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! B.260 at 2.23e+05 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.0 2.2 1.0 ! B.162 at 2.68e+05 assign (resid 43 and name HD# ) (resid 45 and name HD# ) 4.0 2.2 2.0 ! A.715 at 2.88e+04 assign (resid 43 and name HD# ) (resid 45 and name HZ ) 4.0 2.2 2.0 ! A.714 at 3.24e+04 assign (resid 43 and name HE# ) (resid 45 and name HE# ) 4.0 2.2 1.0 ! A.189 at 4.74e+04 assign (resid 43 and name HA ) (resid 45 and name HD# ) 4.0 2.2 2.0 ! A.703 at 4.34e+04 assign (resid 43 and name HB# ) (resid 45 and name HD# ) 4.0 2.2 1.0 ! A.421 at 4.74e+04 assign (resid 43 and name HB# ) (resid 45 and name HE# ) 4.0 2.2 1.0 ! A.420 at 7.51e+04 assign (resid 43 and name HB# ) (resid 45 and name HZ ) 4.0 2.2 2.0 ! A.711 at 3.42e+04 assign (resid 43 and name HN ) (resid 45 and name HE# ) 4.0 2.2 2.0 ! B.163 at 1.20e+05 assign (resid 43 and name HB# ) (resid 54 and name HE# ) 4.0 2.2 1.0 ! C.35 at 5.70e+04 ! K44 assign (resid 44 and name HE# ) (resid 44 and name HG# ) 4.0 2.2 2.0 ! A.745 at 3.39e+04 assign (resid 44 and name HE# ) (resid 44 and name HB# ) 4.0 2.2 2.0 ! A.747 at 4.30e+04 assign (resid 44 and name HB# ) (resid 44 and name HN ) 2.5 0.7 0.4 ! B.262 at 2.03e+06 assign (resid 44 and name HA ) (resid 44 and name HD# ) 4.0 2.2 1.0 ! A.726 at 5.35e+04 assign (resid 44 and name HA ) (resid 44 and name HG# ) 4.0 2.2 1.0 ! A.728 at 5.13e+04 assign (resid 44 and name HG# ) (resid 44 and name HN ) 4.0 2.2 2.0 ! B.258 at 1.51e+05 assign (resid 44 and name HB# ) (resid 45 and name HN ) 4.0 2.2 2.0 ! B.268 at 1.89e+05 assign (resid 44 and name HA ) (resid 45 and name HE# ) 4.0 2.2 2.0 ! C.125 at 3.45e+04 assign (resid 44 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! B.269 at 6.64e+05 assign (resid 44 and name HG# ) (resid 45 and name HN ) 4.0 2.2 2.0 ! B.267 at 1.50e+05 ! F45 assign (resid 45 and name HE# ) (resid 45 and name HN ) 4.0 2.2 2.0 ! C.121 at 2.94e+04 assign (resid 45 and name HD# ) (resid 45 and name HN ) 4.0 2.2 1.0 ! C.108 at 4.27e+04 assign (resid 45 and name HD# ) (resid 45 and name HZ ) 4.0 2.2 1.0 ! C.15 at 6.89e+04 assign (resid 45 and name HA ) (resid 46 and name HB# ) 4.0 2.2 1.0 ! A.760 at 7.06e+04 assign (resid 45 and name HD# ) (resid 46 and name HN ) 4.0 2.2 2.0 ! B.275 at 1.28e+05 assign (resid 45 and name HB# ) (resid 46 and name HN ) 4.0 2.2 2.0 ! B.482 at 1.88e+05 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.5 1.7 0.5 ! B.276 at 9.25e+05 assign (resid 45 and name HB# ) (resid 47 and name HN ) 4.0 2.2 2.0 ! B.278 at 1.72e+05 assign (resid 45 and name HD# ) (resid 50 and name HB# ) 4.0 2.2 1.0 ! C.49 at 4.58e+04 assign (resid 45 and name HB# ) (resid 51 and name HD* ) 4.0 2.2 1.5 ! A.753 at 5.02e+04 assign (resid 45 and name HD# ) (resid 51 and name HA ) 4.0 2.2 1.0 ! A.813 at 8.56e+04 assign (resid 45 and name HE# ) (resid 51 and name HA ) 4.0 2.2 1.0 ! A.1173 at 5.56e+04 assign (resid 45 and name HD# ) (resid 51 and name HD* ) 4.0 2.2 1.5 ! C.98 at 5.73e+04 assign (resid 45 and name HZ ) (resid 54 and name HD# ) 4.0 2.2 1.0 ! C.19 at 5.96e+04 assign (resid 45 and name HZ ) (resid 54 and name HE# ) 4.0 2.2 1.0 ! C.29 at 5.20e+04 ! R46 assign (resid 46 and name HG# ) (resid 46 and name HN ) 4.0 2.2 1.0 ! B.271 at 2.51e+05 assign (resid 46 and name HB# ) (resid 46 and name HN ) 4.0 2.2 2.0 ! B.272 at 1.05e+05 assign (resid 46 and name HN ) (resid 46 and name HE ) 4.0 2.2 1.0 ! D.14 at 4.80e+06 assign (resid 46 and name HB# ) (resid 46 and name HE ) 4.0 2.2 1.0 ! D.8 at 1.42e+07 assign (resid 46 and name HG# ) (resid 46 and name HE ) 4.0 2.2 1.0 ! D.7 at 2.35e+07 assign (resid 46 and name HA ) (resid 46 and name HE ) 4.0 2.2 1.0 ! D.16 at 4.82e+06 assign (resid 46 and name HA ) (resid 47 and name HN ) 4.0 2.2 2.0 ! A.755 at 3.60e+04 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.5 1.7 0.5 ! B.284 at 9.09e+05 assign (resid 46 and name HE ) (resid 115 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 ! D.6 at 2.61e+07 ! S47 assign (resid 47 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.763 at 6.21e+04 assign (resid 47 and name HN ) (resid 48 and name HN ) 4.0 2.2 2.0 ! B.283 at 1.29e+05 assign (resid 47 and name HN ) (resid 50 and name HB# ) 4.0 2.2 1.0 ! B.279 at 3.89e+05 assign (resid 47 and name HN ) (resid 50 and name HN ) 4.0 2.2 2.0 ! B.281 at 1.12e+05 assign (resid 47 and name HN ) (resid 51 and name HB# ) 4.0 2.2 1.0 ! B.277 at 1.91e+05 assign (resid 47 and name HN ) (resid 66 and name HD# ) 4.0 2.2 1.0 ! B.485 at 3.07e+05 ! K48 assign (resid 48 and name HB# ) (resid 48 and name HN ) 4.0 2.2 2.0 ! B.285 at 1.85e+05 assign (resid 48 and name HE# ) (resid 49 and name HB# ) 4.0 2.2 2.0 ! A.1239 at 4.40e+04 assign (resid 48 and name HA ) (resid 51 and name HB# ) 4.0 2.2 1.0 ! A.1111 at 1.34e+05 assign (resid 48 and name HA ) (resid 51 and name HN ) 4.0 2.2 2.0 ! A.769 at 3.43e+04 assign (resid 48 and name HE# ) (resid 61 and name HD* ) 4.0 2.2 2.5 ! A.778 at 3.41e+04 assign (resid 48 and name HE# ) (resid 61 and name HN ) 4.0 2.2 2.0 ! A.775 at 3.27e+04 assign (resid 48 and name HD# ) (resid 64 and name HB# ) 4.0 2.2 1.0 ! A.1160 at 4.80e+04 assign (resid 48 and name HA ) (resid 66 and name HD# ) 4.0 2.2 1.0 ! C.136 at 5.94e+04 ! P49 assign (resid 49 and name HA ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.782 at 4.34e+04 assign (resid 49 and name HB# ) (resid 50 and name HG# ) 4.0 2.2 2.0 ! A.812 at 3.20e+04 assign (resid 49 and name HG# ) (resid 50 and name HN ) 4.0 2.2 1.0 ! B.288 at 2.24e+05 assign (resid 49 and name HB# ) (resid 50 and name HN ) 4.0 2.2 1.0 ! B.436 at 3.33e+05 assign (resid 49 and name HB# ) (resid 52 and name HB# ) 4.0 2.2 1.5 ! A.683 at 5.87e+04 assign (resid 49 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.780 at 4.97e+04 assign (resid 49 and name HA ) (resid 52 and name HB# ) 3.5 1.7 0.8 ! A.783 at 2.42e+05 ! Q50 assign (resid 50 and name HB# ) (resid 50 and name HN ) 4.0 2.2 1.0 ! B.289 at 7.80e+05 assign (resid 50 and name HA ) (resid 50 and name HG# ) 4.0 2.2 1.0 ! A.790 at 1.33e+05 assign (resid 50 and name HG# ) (resid 50 and name HE2# ) 4.0 2.2 2.0 ! B.466 at 1.71e+05 assign (resid 50 and name HG# ) (resid 50 and name HN ) 4.0 2.2 1.0 ! B.291 at 2.42e+05 assign (resid 50 and name HB# ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.800 at 4.69e+04 assign (resid 50 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! B.438 at 2.83e+05 assign (resid 50 and name HN ) (resid 51 and name HN ) 4.0 2.2 1.0 ! B.294 at 5.78e+05 assign (resid 50 and name HN ) (resid 51 and name HB# ) 4.0 2.2 1.0 ! B.286 at 2.16e+05 assign (resid 50 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.0 ! B.180 at 1.88e+05 assign (resid 50 and name HG# ) (resid 53 and name HD# ) 4.0 2.2 2.0 ! A.890 at 4.14e+04 assign (resid 50 and name HA ) (resid 53 and name HD# ) 4.0 2.2 1.0 ! A.789 at 6.54e+04 assign (resid 50 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1109 at 9.63e+04 ! L51 assign (resid 51 and name HD* ) (resid 51 and name HN ) 4.0 2.2 1.5 ! B.297 at 3.51e+05 assign (resid 51 and name HD* ) (resid 51 and name HB# ) 2.5 0.7 0.7 ! A.827 at 3.51e+05 assign (resid 51 and name HD* ) (resid 51 and name HA ) 3.5 1.7 0.8 ! A.844 at 1.70e+05 assign (resid 51 and name HB# ) (resid 51 and name HN ) 3.5 1.7 0.5 ! B.298 at 1.02e+06 assign (resid 51 and name HB# ) (resid 52 and name HN ) 3.5 1.7 0.5 ! B.305 at 8.02e+05 assign (resid 51 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! B.308 at 1.99e+05 assign (resid 51 and name HD* ) (resid 52 and name HA ) 4.0 2.2 1.5 ! A.284 at 7.43e+04 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 1.0 ! B.181 at 5.21e+05 assign (resid 51 and name HG ) (resid 52 and name HN ) 4.0 2.2 1.0 ! B.303 at 2.80e+05 assign (resid 51 and name HA ) (resid 53 and name HN ) 4.0 2.2 2.0 ! B.314 at 9.84e+04 assign (resid 51 and name HA ) (resid 54 and name HB# ) 4.0 2.2 1.0 ! A.814 at 5.90e+04 assign (resid 51 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0 ! B.321 at 2.09e+05 assign (resid 51 and name HD* ) (resid 61 and name HD* ) 3.5 1.7 1.3 ! A.843 at 2.27e+05 assign (resid 51 and name HB# ) (resid 61 and name HD* ) 4.0 2.2 2.5 ! A.823 at 4.21e+04 assign (resid 51 and name HD* ) (resid 66 and name HD# ) 4.0 2.2 2.5 ! C.138 at 3.08e+04 ! A52 assign (resid 52 and name HB# ) (resid 52 and name HN ) 2.5 0.7 0.9 ! B.304 at 1.66e+06 assign (resid 52 and name HB# ) (resid 53 and name HD# ) 4.0 2.2 2.5 ! A.871 at 3.02e+04 assign (resid 52 and name HB# ) (resid 53 and name HG# ) 4.0 2.2 1.5 ! A.877 at 1.39e+05 assign (resid 52 and name HB# ) (resid 53 and name HN ) 2.5 0.7 0.9 ! B.310 at 1.12e+06 assign (resid 52 and name HB# ) (resid 53 and name HA ) 4.0 2.2 1.5 ! A.879 at 9.60e+04 assign (resid 52 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.847 at 5.82e+04 assign (resid 52 and name HN ) (resid 53 and name HN ) 4.0 2.2 1.0 ! B.186 at 6.20e+05 assign (resid 52 and name HB# ) (resid 54 and name HN ) 4.0 2.2 1.5 ! B.461 at 2.37e+05 assign (resid 52 and name HA ) (resid 55 and name HB# ) 4.0 2.2 1.0 ! A.846 at 6.80e+04 assign (resid 52 and name HA ) (resid 61 and name HD* ) 4.0 2.2 2.5 ! A.1038 at 3.95e+04 assign (resid 52 and name HB# ) (resid 61 and name HD* ) 2.5 0.7 1.2 ! A.851 at 3.04e+05 assign (resid 52 and name HN ) (resid 61 and name HD* ) 4.0 2.2 1.5 ! B.302 at 2.71e+05 ! R53 assign (resid 53 and name HG# ) (resid 53 and name HN ) 4.0 2.2 1.0 ! B.311 at 5.40e+05 assign (resid 53 and name HA ) (resid 53 and name HG# ) 2.5 0.7 0.2 ! A.880 at 3.13e+05 assign (resid 53 and name HB# ) (resid 53 and name HN ) 2.5 0.7 0.4 ! B.312 at 2.18e+06 assign (resid 53 and name HB# ) (resid 54 and name HN ) 4.0 2.2 1.0 ! B.319 at 7.47e+05 assign (resid 53 and name HG# ) (resid 54 and name HN ) 4.0 2.2 1.0 ! B.318 at 3.52e+05 assign (resid 53 and name HA ) (resid 54 and name HA ) 4.0 2.2 1.0 ! A.901 at 6.59e+04 assign (resid 53 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0 ! B.324 at 5.12e+05 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.5 1.7 0.5 ! B.187 at 8.70e+05 assign (resid 53 and name HN ) (resid 54 and name HB# ) 4.0 2.2 2.0 ! B.313 at 1.08e+05 assign (resid 53 and name HN ) (resid 55 and name HN ) 4.0 2.2 2.0 ! B.38 at 1.36e+05 ! Y54 assign (resid 54 and name HB# ) (resid 54 and name HN ) 3.5 1.7 0.5 ! B.322 at 9.09e+05 assign (resid 54 and name HD# ) (resid 54 and name HB# ) 3.5 1.7 0.3 ! C.25 at 1.38e+05 assign (resid 54 and name HD# ) (resid 54 and name HA ) 3.5 1.7 0.3 ! C.22 at 1.41e+05 assign (resid 54 and name HE# ) (resid 54 and name HB# ) 4.0 2.2 1.0 ! C.34 at 4.43e+04 assign (resid 54 and name HE# ) (resid 54 and name HA ) 4.0 2.2 1.0 ! C.31 at 4.33e+04 assign (resid 54 and name HD# ) (resid 55 and name HD* ) 4.0 2.2 1.5 ! C.26 at 6.34e+04 assign (resid 54 and name HB# ) (resid 55 and name HD* ) 4.0 2.2 2.5 ! A.904 at 3.66e+04 assign (resid 54 and name HB# ) (resid 55 and name HN ) 4.0 2.2 1.0 ! B.330 at 2.90e+05 assign (resid 54 and name HA ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.896 at 6.12e+04 assign (resid 54 and name HD# ) (resid 55 and name HA ) 4.0 2.2 1.0 ! C.24 at 6.18e+04 assign (resid 54 and name HN ) (resid 55 and name HN ) 4.0 2.2 1.0 ! B.51 at 5.51e+05 assign (resid 54 and name HE# ) (resid 55 and name HD* ) 4.0 2.2 2.5 ! C.36 at 3.48e+04 assign (resid 54 and name HN ) (resid 56 and name HN ) 4.0 2.2 1.0 ! B.335 at 3.05e+05 ! L55 assign (resid 55 and name HD1# ) (resid 55 and name HN ) 4.0 2.2 1.5 ! A.837 at 4.88e+04 assign (resid 55 and name HD* ) (resid 55 and name HB# ) 2.5 0.7 0.7 ! A.280 at 2.91e+05 assign (resid 55 and name HD1# ) (resid 55 and name HA ) 4.0 2.2 1.5 ! A.842 at 1.29e+05 assign (resid 55 and name HD2# ) (resid 55 and name HB# ) 3.5 1.7 0.8 ! A.928 at 2.18e+05 assign (resid 55 and name HD2# ) (resid 55 and name HN ) 4.0 2.2 1.5 ! A.936 at 7.80e+04 assign (resid 55 and name HD* ) (resid 55 and name HA ) 2.5 0.7 0.7 ! A.935 at 3.73e+05 assign (resid 55 and name HB# ) (resid 55 and name HN ) 4.0 2.2 1.0 ! B.328 at 3.67e+05 assign (resid 55 and name HA ) (resid 55 and name HG ) 4.0 2.2 1.0 ! A.919 at 1.00e+05 assign (resid 55 and name HG ) (resid 55 and name HN ) 4.0 2.2 1.0 ! B.329 at 3.92e+05 assign (resid 55 and name HD* ) (resid 55 and name HN ) 4.0 2.2 1.5 ! B.327 at 2.21e+05 assign (resid 55 and name HN ) (resid 56 and name HA# ) 4.0 2.2 1.0 ! A.941 at 4.94e+04 assign (resid 55 and name HD2# ) (resid 56 and name HN ) 4.0 2.2 2.5 ! A.937 at 3.81e+04 assign (resid 55 and name HA ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.911 at 5.88e+04 assign (resid 55 and name HN ) (resid 56 and name HN ) 2.5 0.7 0.4 ! B.336 at 1.12e+06 assign (resid 55 and name HB# ) (resid 56 and name HN ) 4.0 2.2 1.0 ! B.339 at 3.45e+05 assign (resid 55 and name HD* ) (resid 56 and name HN ) 4.0 2.2 2.5 ! B.334 at 1.88e+05 assign (resid 55 and name HD* ) (resid 58 and name HB# ) 4.0 2.2 2.0 ! A.968 at 7.87e+04 assign (resid 55 and name HD* ) (resid 59 and name HG2# ) 3.5 1.7 1.3 ! A.998 at 2.07e+05 assign (resid 55 and name HD* ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.424 at 1.14e+05 assign (resid 55 and name HD* ) (resid 59 and name HG1# ) 3.5 1.7 1.3 ! A.994 at 2.45e+05 assign (resid 55 and name HB# ) (resid 59 and name HG1# ) 4.0 2.2 1.5 ! A.1164 at 5.41e+04 assign (resid 55 and name HB# ) (resid 59 and name HG2# ) 4.0 2.2 1.5 ! A.1163 at 8.41e+04 assign (resid 55 and name HD* ) (resid 59 and name HB ) 4.0 2.2 1.5 ! A.981 at 6.30e+04 assign (resid 55 and name HB# ) (resid 59 and name HN ) 4.0 2.2 2.0 ! B.355 at 8.83e+04 assign (resid 55 and name HD* ) (resid 61 and name HD* ) 3.5 1.7 1.3 ! A.1034 at 1.99e+05 assign (resid 55 and name HB# ) (resid 61 and name HD* ) 4.0 2.2 1.5 ! A.1035 at 8.73e+04 assign (resid 55 and name HD2# ) (resid 61 and name HD* ) 4.0 2.2 2.0 ! A.933 at 8.74e+04 ! G56 assign (resid 56 and name HA# ) (resid 57 and name HA ) 4.0 2.2 2.0 ! A.942 at 3.52e+04 assign (resid 56 and name HA# ) (resid 57 and name HB# ) 4.0 2.2 2.0 ! A.943 at 3.70e+04 assign (resid 56 and name HA# ) (resid 57 and name HN ) 4.0 2.2 1.0 ! B.343 at 3.65e+05 ! N57 assign (resid 57 and name HB# ) (resid 57 and name HD2# ) 4.0 2.2 1.0 ! D.49 at 4.31e+07 assign (resid 57 and name HB# ) (resid 57 and name HN ) 4.0 2.2 1.0 ! B.342 at 4.70e+05 assign (resid 57 and name HA ) (resid 58 and name HB# ) 4.0 2.2 2.5 ! A.963 at 3.45e+04 assign (resid 57 and name HB# ) (resid 58 and name HB# ) 4.0 2.2 2.5 ! A.964 at 3.77e+04 assign (resid 57 and name HB# ) (resid 58 and name HN ) 4.0 2.2 1.0 ! B.350 at 2.70e+05 assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! B.352 at 3.74e+05 assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! B.346 at 4.39e+05 assign (resid 57 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! B.360 at 2.72e+05 ! A58 assign (resid 58 and name HB# ) (resid 58 and name HN ) 2.5 0.7 0.9 ! B.348 at 1.74e+06 assign (resid 58 and name HB# ) (resid 59 and name HG2# ) 2.5 0.7 1.2 ! A.966 at 2.78e+05 assign (resid 58 and name HB# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! B.356 at 6.64e+05 assign (resid 58 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.955 at 9.01e+04 assign (resid 58 and name HA ) (resid 59 and name HG2# ) 4.0 2.2 2.5 ! A.957 at 4.09e+04 assign (resid 58 and name HN ) (resid 59 and name HN ) 2.5 0.7 0.4 ! B.361 at 1.11e+06 assign (resid 58 and name HN ) (resid 59 and name HG2# ) 4.0 2.2 2.5 ! B.347 at 1.36e+05 ! V59 assign (resid 59 and name HG1# ) (resid 59 and name HA ) 3.5 1.7 0.8 ! A.1003 at 2.40e+05 assign (resid 59 and name HG1# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.990 at 6.80e+04 assign (resid 59 and name HG2# ) (resid 59 and name HA ) 3.5 1.7 0.8 ! A.1002 at 2.29e+05 assign (resid 59 and name HG2# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! B.354 at 6.12e+05 assign (resid 59 and name HB ) (resid 59 and name HN ) 4.0 2.2 1.0 ! B.357 at 7.04e+05 assign (resid 59 and name HG1# ) (resid 60 and name HN ) 3.5 1.7 1.0 ! B.364 at 7.93e+05 assign (resid 59 and name HG1# ) (resid 60 and name HA ) 4.0 2.2 1.5 ! A.987 at 4.85e+04 assign (resid 59 and name HG2# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.1005 at 7.42e+04 assign (resid 59 and name HA ) (resid 60 and name HB# ) 4.0 2.2 1.0 ! A.977 at 7.18e+04 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.5 0.7 0.4 ! B.367 at 2.80e+06 assign (resid 59 and name HB ) (resid 60 and name HN ) 4.0 2.2 1.0 ! B.363 at 3.52e+05 assign (resid 59 and name HN ) (resid 60 and name HN ) 4.0 2.2 1.0 ! B.362 at 2.30e+05 assign (resid 59 and name HG1# ) (resid 61 and name HG ) 3.5 1.7 0.8 ! A.993 at 2.37e+05 assign (resid 59 and name HG1# ) (resid 71 and name HE# ) 4.0 2.2 2.0 ! A.1000 at 1.30e+05 ! D60 assign (resid 60 and name HB# ) (resid 60 and name HN ) 2.5 0.7 0.4 ! B.366 at 1.32e+06 assign (resid 60 and name HA ) (resid 61 and name HN ) 3.5 1.7 0.5 ! B.378 at 9.50e+05 assign (resid 60 and name HA ) (resid 61 and name HB# ) 4.0 2.2 2.0 ! A.1024 at 3.62e+04 assign (resid 60 and name HB# ) (resid 61 and name HN ) 4.0 2.2 2.0 ! B.375 at 1.43e+05 assign (resid 60 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! B.370 at 1.94e+05 assign (resid 60 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.1167 at 9.00e+04 ! L61 assign (resid 61 and name HD* ) (resid 61 and name HB# ) 2.5 0.7 0.7 ! A.824 at 3.50e+05 assign (resid 61 and name HD* ) (resid 61 and name HA ) 4.0 2.2 1.5 ! A.1031 at 6.45e+04 assign (resid 61 and name HD* ) (resid 61 and name HN ) 4.0 2.2 2.5 ! B.372 at 1.84e+05 assign (resid 61 and name HG ) (resid 61 and name HA ) 4.0 2.2 1.0 ! A.1043 at 1.04e+05 assign (resid 61 and name HB# ) (resid 61 and name HN ) 4.0 2.2 1.0 ! B.374 at 5.81e+05 assign (resid 61 and name HG ) (resid 61 and name HN ) 4.0 2.2 2.0 ! B.371 at 1.08e+05 assign (resid 61 and name HA ) (resid 62 and name HN ) 4.0 2.2 2.0 ! A.1021 at 4.22e+04 assign (resid 61 and name HB# ) (resid 62 and name HN ) 4.0 2.2 1.0 ! B.387 at 2.18e+05 assign (resid 61 and name HD* ) (resid 62 and name HN ) 4.0 2.2 2.5 ! B.388 at 8.02e+04 assign (resid 61 and name HA ) (resid 63 and name HB# ) 4.0 2.2 1.0 ! A.1019 at 5.00e+04 assign (resid 61 and name HD* ) (resid 64 and name HD# ) 4.0 2.2 2.5 ! A.1030 at 3.17e+04 assign (resid 61 and name HG ) (resid 64 and name HB# ) 4.0 2.2 2.0 ! A.258 at 4.24e+04 assign (resid 61 and name HG ) (resid 64 and name HD# ) 4.0 2.2 2.0 ! A.1044 at 2.85e+04 assign (resid 61 and name HB# ) (resid 64 and name HN ) 4.0 2.2 1.0 ! B.52 at 4.22e+05 assign (resid 61 and name HA ) (resid 64 and name HB# ) 4.0 2.2 2.0 ! A.1225 at 3.68e+04 assign (resid 61 and name HD* ) (resid 71 and name HE# ) 4.0 2.2 2.0 ! A.1032 at 4.68e+04 assign (resid 61 and name HG ) (resid 71 and name HE# ) 4.0 2.2 1.5 ! A.260 at 8.17e+04 assign (resid 61 and name HA ) (resid 71 and name HE# ) 4.0 2.2 1.5 ! A.1017 at 7.41e+04 assign (resid 61 and name HN ) (resid 71 and name HE# ) 4.0 2.2 2.5 ! A.1083 at 2.93e+04 ! S62 assign (resid 62 and name HN ) (resid 63 and name HN ) 4.0 2.2 2.0 ! B.392 at 7.76e+04 assign (resid 62 and name HA ) (resid 63 and name HN ) 4.0 2.2 2.0 ! B.390 at 1.30e+05 assign (resid 62 and name HN ) (resid 64 and name HN ) 4.0 2.2 2.0 ! B.393 at 1.15e+05 ! C63 assign (resid 63 and name HB# ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.1046 at 8.93e+04 assign (resid 63 and name HB# ) (resid 64 and name HN ) 4.0 2.2 1.0 ! B.55 at 2.73e+05 assign (resid 63 and name HN ) (resid 64 and name HN ) 4.0 2.2 1.0 ! B.391 at 2.34e+05 assign (resid 63 and name HB# ) (resid 71 and name HE# ) 4.0 2.2 1.5 ! A.1045 at 6.07e+04 ! F64 assign (resid 64 and name HB# ) (resid 64 and name HN ) 2.5 0.7 0.4 ! B.53 at 1.32e+06 assign (resid 64 and name HE# ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.1123 at 4.78e+04 assign (resid 64 and name HE# ) (resid 69 and name HA# ) 4.0 2.2 2.0 ! C.107 at 3.69e+04 assign (resid 64 and name HB# ) (resid 71 and name HE# ) 4.0 2.2 1.5 ! A.256 at 8.01e+04 assign (resid 64 and name HN ) (resid 71 and name HE# ) 4.0 2.2 1.5 ! B.47 at 3.38e+05 assign (resid 64 and name HD# ) (resid 71 and name HE# ) 3.5 1.7 0.8 ! A.427 at 2.06e+05 ! D65 ! F66 assign (resid 66 and name HB# ) (resid 66 and name HD# ) 4.0 2.2 1.0 ! A.1120 at 5.72e+04 assign (resid 66 and name HB# ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.1119 at 4.74e+04 assign (resid 66 and name HA ) (resid 66 and name HD# ) 4.0 2.2 1.0 ! A.1127 at 4.92e+04 assign (resid 66 and name HB# ) (resid 67 and name HB# ) 4.0 2.2 2.0 ! A.1122 at 2.86e+04 ! R67 assign (resid 67 and name HG# ) (resid 67 and name HN ) 4.0 2.2 2.0 ! B.394 at 1.34e+05 assign (resid 67 and name HD# ) (resid 67 and name HB# ) 4.0 2.2 1.0 ! A.1143 at 6.66e+04 assign (resid 67 and name HB# ) (resid 67 and name HN ) 4.0 2.2 2.0 ! B.396 at 1.56e+05 assign (resid 67 and name HN ) (resid 67 and name HE ) 4.0 2.2 1.0 ! D.28 at 3.95e+06 assign (resid 67 and name HB# ) (resid 67 and name HE ) 4.0 2.2 1.0 ! D.27 at 2.01e+07 assign (resid 67 and name HG# ) (resid 67 and name HE ) 4.0 2.2 1.0 ! D.22 at 2.22e+07 assign (resid 67 and name HA ) (resid 67 and name HE ) 4.0 2.2 1.0 ! D.30 at 9.26e+06 assign (resid 67 and name HH11 ) (resid 67 and name HE ) 4.0 2.2 1.0 ! D.23 at 4.24e+07 assign (resid 67 and name HG# ) (resid 68 and name HA ) 4.0 2.2 2.0 ! A.1217 at 4.23e+04 assign (resid 67 and name HG# ) (resid 68 and name HG2# ) 4.0 2.2 1.5 ! A.1218 at 8.90e+04 assign (resid 67 and name HD# ) (resid 68 and name HG2# ) 4.0 2.2 1.5 ! A.1128 at 4.93e+04 ! T68 assign (resid 68 and name HA ) (resid 68 and name HG2# ) 2.5 0.7 0.7 ! A.1051 at 3.75e+05 assign (resid 68 and name HG2# ) (resid 69 and name HN ) 4.0 2.2 2.5 ! B.399 at 1.17e+05 assign (resid 68 and name HA ) (resid 69 and name HN ) 4.0 2.2 2.0 ! B.401 at 9.48e+04 assign (resid 68 and name HB ) (resid 70 and name HE# ) 4.0 2.2 1.0 ! A.1057 at 4.41e+04 assign (resid 68 and name HG2# ) (resid 70 and name HE# ) 4.0 2.2 1.5 ! A.1192 at 5.16e+04 ! G69 ! K70 assign (resid 70 and name HD# ) (resid 70 and name HA ) 4.0 2.2 1.0 ! A.322 at 7.35e+04 assign (resid 70 and name HG# ) (resid 70 and name HA ) 4.0 2.2 1.0 ! A.1079 at 1.01e+05 assign (resid 70 and name HG# ) (resid 70 and name HE# ) 4.0 2.2 1.0 ! A.1080 at 8.59e+04 assign (resid 70 and name HB# ) (resid 71 and name HN ) 4.0 2.2 1.0 ! B.491 at 6.44e+05 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.1072 at 2.69e+05 assign (resid 70 and name HA ) (resid 71 and name HB# ) 4.0 2.2 1.0 ! A.1070 at 5.77e+04 assign (resid 70 and name HG# ) (resid 71 and name HN ) 4.0 2.2 1.0 ! B.405 at 3.45e+05 ! M71 assign (resid 71 and name HB# ) (resid 71 and name HN ) 2.5 0.7 0.4 ! B.407 at 1.25e+06 assign (resid 71 and name HG# ) (resid 71 and name HA ) 4.0 2.2 2.0 ! A.1086 at 3.77e+04 assign (resid 71 and name HG# ) (resid 71 and name HE# ) 2.5 0.7 0.7 ! A.1089 at 3.31e+05 assign (resid 71 and name HG# ) (resid 71 and name HN ) 4.0 2.2 1.0 ! B.476 at 6.92e+05 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.5 1.7 0.5 ! B.413 at 9.96e+05 assign (resid 71 and name HG# ) (resid 72 and name HN ) 4.0 2.2 2.0 ! B.411 at 1.65e+05 ! M72 assign (resid 72 and name HG# ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.1098 at 7.16e+04 assign (resid 72 and name HG# ) (resid 72 and name HN ) 4.0 2.2 1.0 ! B.410 at 3.29e+05 assign (resid 72 and name HB# ) (resid 72 and name HN ) 4.0 2.2 1.0 ! B.414 at 5.54e+05 ! A73 ! A74 ! A75 ! A76 ! A77 ! A78 ! A79 ! A80 ! A81 ! A82 ! A83 ! A84 ! A85 ! A86 ! A87 ! A88 ! A89 ! A90 ! A91 ! A92 ! A93 ! A94 ! A95 ! A96 ! A97 ! A98 ! A99 ! A100 ! g101 ! g102 ! a103 ! t104 ! m105 ! g106 ! g107 ! c108 ! t109 ! c110 ! g111 ! a112 ! g113 ! c114 ! m115 ! g116 ! a117 ! t118 ! c119 ! c120 !@ END_XPLR_NOE_FILE assign (resid 46 and name HB# ) (resid 115 and (name H51 or name H52 or name H53) ) 3.5 1.7 0.5 ! 4.0 2.2 1.0 assign (resid 46 and name HE ) (resid 115 and (name H51 or name H52 or name H53) ) 3.5 1.7 0.5 ! 4.0 2.2 1.0 assign (resid 46 and name HD# ) (resid 115 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 assign (resid 47 and name HB# ) (resid 115 and (name H51 or name H52 or name H53) ) 4.0 2.2 2.0 ! 1.0 assign (resid 47 and name HA ) (resid 115 and (name H51 or name H52 or name H53) ) 4.0 2.2 2.0 assign (resid 47 and name HB# ) ((resid 115) and (name H5' or name H5'') ) 4.0 2.2 2.0 ! 1.0 assign (resid 47 and name HA ) ((resid 115 or resid 114) and (name H5' or name H5'') ) 4.0 2.2 2.0 assign (resid 47 and name HB# ) ((resid 115 or resid 114) and (name H3') ) 4.0 2.2 1.0 assign (resid 47 and name HA ) ((resid 115 or resid 114) and (name H3') ) 4.0 2.2 1.0 !assign (resid 47 and name HB# ) ((resid 115 or resid 114) and (name H5' or name H5'') ) 4.0 2.2 1.0 !assign (resid 47 and name HB# ) ((resid 115 or resid 114) and (name H3') ) 4.0 2.2 1.0 assign (resid 49 and name HD1 ) ((resid 114 or resid 115) and (name H3') ) 4.0 2.2 2.5 ! 2.0 assign (resid 49 and name HD2 ) ((resid 114 or resid 115) and (name H3') ) 4.0 2.2 2.5 ! 2.0 assign (resid 49 and name HG1 ) ((resid 114 or resid 115) and (name H3') ) 4.0 2.2 2.0 assign (resid 49 and name HG2 ) ((resid 114 or resid 115) and (name H3') ) 4.0 2.2 2.0 !assign (resid 49 and name HG1 ) ((resid 115) and (name H5' or name H5'') ) 4.0 2.2 2.0 !assign (resid 49 and name HG2 ) ((resid 115) and (name H5' or name H5'') ) 4.0 2.2 2.0 assign (resid 36 and name HD# ) (resid 115 and (name H51 or name H52 or name H53) ) 4.0 2.2 2.0 ! 1.0 assign (resid 36 and name HE# ) (resid 115 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 assign (resid 36 and name HE# ) (resid 104 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 assign (resid 24 and name HD# ) (resid 105 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 assign (resid 24 and name HE ) (resid 105 and (name H51 or name H52 or name H53) ) 3.5 1.7 0.5 !4.0 2.2 1.0 assign (resid 24 and name HG# ) (resid 105 and (name H51 or name H52 or name H53) ) 4.0 2.2 1.0 assign (resid 25 and name HE# ) (resid 104 and (name H5' or name H5'') ) 4.0 2.2 2.0 !assign (resid 28 and name HD* ) ((resid 106 or resid 107 or resid 111 or resid 112) and (name H3') ) 4.0 2.2 2.0
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