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 |
|
|
15813 |
1yzc   |
6552 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! ! A1 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.362 at 5.38e+06 ! D2 assign (resid 2 and name HA ) (resid 2 and name HN ) 2.5 0.7 0.4 ! assign (resid 2 and name HB1 ) (resid 2 and name HN ) 4.0 2.2 1.0 ! A.363 at 1.50e+06 assign (resid 2 and name HB2 ) (resid 2 and name HN ) 3.5 1.2 0.5 ! A.364 at 3.35e+06 assign (resid 2 and name HB2 ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.144 at 2.82e+06 assign (resid 2 and name HN ) (resid 3 and name HD2# ) 4.0 2.2 1.5 ! A.365 at 1.81e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.141 at 7.85e+06 assign (resid 2 and name HB1 ) (resid 3 and name HN ) 3.5 1.2 0.5 ! A.143 at 3.71e+06 ! L3 assign (resid 3 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.4 ! assign (resid 3 and name HD2# ) (resid 3 and name HN ) 2.5 0.7 0.9 ! A.149 at 6.69e+06 assign (resid 3 and name HD1# ) (resid 3 and name HN ) 4.0 2.2 1.5 ! A.148 at 1.12e+06 assign (resid 3 and name HG ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.147 at 1.81e+07 assign (resid 3 and name HN ) (resid 4 and name HN ) 2.5 0.7 0.4 ! A.2030 at 7.47e+07 assign (resid 3 and name HD2# ) (resid 4 and name HN ) 4.0 2.2 1.5 ! A.309 at 1.76e+06 assign (resid 3 and name HN ) (resid 4 and name HG# ) 2.5 0.7 0.9 ! A.145 at 5.22e+06 assign (resid 3 and name HN ) (resid 4 and name HB# ) 4.0 2.2 1.5 ! A.146 at 1.15e+06 assign (resid 3 and name HG ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.307 at 3.00e+06 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.5 1.2 0.5 ! A.308 at 3.29e+06 assign (resid 3 and name HB2 ) (resid 6 and name HD22 ) 3.5 1.2 0.5 ! A.788 at 3.81e+06 ! E4 assign (resid 4 and name HA ) (resid 4 and name HN ) 2.5 0.7 0.4 ! assign (resid 4 and name HB# ) (resid 4 and name HN ) 2.5 0.7 0.9 ! A.306 at 2.68e+07 assign (resid 4 and name HG# ) (resid 4 and name HN ) 2.5 0.7 0.9 ! A.305 at 9.92e+06 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.5 1.2 0.5 ! A.2049 at 4.58e+06 assign (resid 4 and name HG# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! A.296 at 2.19e+06 assign (resid 4 and name HB# ) (resid 5 and name HN ) 3.5 1.2 1.0 ! A.297 at 4.45e+06 assign (resid 4 and name HN ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.302 at 5.47e+06 ! D5 assign (resid 5 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.4 ! assign (resid 5 and name HB1 ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.2050 at 7.25e+06 assign (resid 5 and name HB2 ) (resid 5 and name HN ) 3.5 0.7 0.5 ! A.2051 at 6.75e+06 ! N6 assign (resid 6 and name HA ) (resid 6 and name HN ) 2.5 0.7 0.4 ! assign (resid 6 and name HB2 ) (resid 6 and name HN ) 2.5 0.7 0.5 ! A.481 at 1.23e+07 assign (resid 6 and name HB2 ) (resid 6 and name HD21 ) 2.5 0.7 0.4 ! A.771 at 5.49e+06 assign (resid 6 and name HB2 ) (resid 6 and name HD22 ) 3.5 1.2 0.5 ! A.772 at 4.46e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.4 ! A.2076 at 1.34e+07 ! D7 assign (resid 7 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.4 ! assign (resid 7 and name HB# ) (resid 7 and name HN ) 2.5 0.7 0.9 ! A.417 at 1.95e+07 assign (resid 7 and name HB# ) (resid 8 and name HN ) 3.5 1.2 1.0 ! A.2046 at 3.23e+06 assign (resid 7 and name HN ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.302 at 1.47e+07 ! E8 assign (resid 8 and name HA ) (resid 8 and name HN ) 2.5 0.7 0.4 ! assign (resid 8 and name HB2 ) (resid 8 and name HN ) 3.0 0.7 0.5 ! A.271 at 1.76e+07 assign (resid 8 and name HB1 ) (resid 8 and name HN ) 3.5 0.7 0.5 ! A.270 at 7.65e+06 assign (resid 8 and name HG# ) (resid 8 and name HN ) 2.5 0.7 0.9 ! A.269 at 9.41e+06 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.2044 at 1.55e+07 assign (resid 8 and name HB1 ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.767 at 2.85e+06 assign (resid 8 and name HB2 ) (resid 9 and name HN ) 3.5 1.2 0.5 ! A.766 at 3.23e+06 assign (resid 8 and name HG# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! A.765 at 1.71e+06 assign (resid 8 and name HB1 ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.844 at 1.79e+06 assign (resid 8 and name HB2 ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.843 at 1.55e+06 ! T9 assign (resid 9 and name HA ) (resid 9 and name HN ) 2.5 0.7 0.4 ! assign (resid 9 and name HG2# ) (resid 9 and name HN ) 2.5 0.7 0.9 ! A.768 at 8.10e+06 assign (resid 9 and name HB ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.763 at 1.43e+07 assign (resid 9 and name HG2# ) (resid 10 and name HN ) 3.5 1.2 1.0 ! A.845 at 4.00e+06 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.840 at 1.51e+07 assign (resid 9 and name HN ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.839 at 7.41e+06 assign (resid 9 and name HG2# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.564 at 2.48e+06 assign (resid 9 and name HN ) (resid 11 and name HB1 ) 4.0 2.2 1.0 ! A.764 at 1.58e+06 ! G10 assign (resid 10 and name HA# ) (resid 10 and name HN ) 2.5 0.7 0.4 ! assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.2127 at 8.72e+06 assign (resid 10 and name HN ) (resid 11 and name HB1 ) 4.0 2.2 1.0 ! A.842 at 1.23e+06 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.839 at 7.41e+06 ! N11 assign (resid 11 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.4 ! assign (resid 11 and name HB1 ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.563 at 1.63e+07 assign (resid 11 and name HB1 ) (resid 11 and name HD21 ) 3.5 1.2 0.5 ! A.771 at 3.49e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 2.5 0.7 0.4 ! A.771 at 5.49e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD22 ) 3.5 1.2 0.5 ! A.772 at 4.46e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.5 0.7 0.4 ! A.266 at 1.70e+07 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.5 1.2 0.5 ! A.302 at 3.07e+06 assign (resid 11 and name HN ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.485 at 3.31e+06 ! D12 assign (resid 12 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.4 ! assign (resid 12 and name HB2 ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.372 at 5.91e+06 assign (resid 12 and name HB1 ) (resid 12 and name HN ) 3.5 1.2 0.5 ! A.372 at 4.91e+06 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.2102 at 1.49e+07 assign (resid 12 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.894 at 1.59e+06 ! N13 assign (resid 13 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.4 ! assign (resid 13 and name HB# ) (resid 13 and name HN ) 2.5 0.7 0.9 ! A.2104 at 1.21e+07 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 3.5 0.7 0.4 ! A.488 at 1.23e+07 assign (resid 13 and name HB1 ) (resid 13 and name HD22 ) 3.5 1.2 0.5 ! A.790 at 4.21e+06 assign (resid 13 and name HB2 ) (resid 13 and name HD21 ) 3.5 1.2 0.5 ! A.771 at 3.49e+06 assign (resid 13 and name HB1 ) (resid 13 and name HD21 ) 2.5 0.7 0.4 ! A.771 at 5.49e+06 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 3.5 1.2 0.5 ! A.896 at 3.29e+06 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.892 at 3.08e+08 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 0.7 0.5 ! A.894 at 4.59e+06 assign (resid 13 and name HD21 ) (resid 15 and name HG# ) 4.0 2.2 1.5 ! A.791 at 2.85e+06 ! G14 assign (resid 14 and name HA ) (resid 14 and name HN ) 2.5 0.7 0.4 ! assign (resid 14 and name HN ) (resid 15 and name HB# ) 4.0 2.2 1.5 ! A.897 at 1.96e+06 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.893 at 1.05e+07 assign (resid 14 and name HA# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.341 at 1.76e+07 ! K15 assign (resid 15 and name HA ) (resid 15 and name HN ) 2.5 0.7 0.4 ! assign (resid 15 and name HB# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.400 at 1.57e+07 assign (resid 15 and name HG# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.401 at 1.07e+07 assign (resid 15 and name HD# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.399 at 6.74e+06 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 0.4 ! A.866 at 5.83e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.5 0.7 0.5 ! A.867 at 5.30e+06 assign (resid 15 and name HB# ) (resid 16 and name HN ) 3.5 1.2 1.0 ! A.870 at 4.35e+06 ! G16 assign (resid 16 and name HA# ) (resid 16 and name HN ) 2.5 0.7 0.4 ! assign (resid 16 and name HN ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.865 at 1.16e+07 ! G17 assign (resid 17 and name HA# ) (resid 17 and name HN ) 2.5 0.7 0.4 ! assign (resid 17 and name HA# ) (resid 18 and name HN ) 2.5 0.7 0.9 ! A.2067 at 1.09e+07 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.302 at 1.47e+07 assign (resid 17 and name HN ) (resid 19 and name HN ) 3.5 0.7 0.4 ! A.140 at 1.57e+07 ! E18 assign (resid 18 and name HA ) (resid 18 and name HN ) 2.5 0.7 0.4 ! assign (resid 18 and name HB# ) (resid 18 and name HN ) 2.5 0.7 0.9 ! A.2068 at 2.07e+07 assign (resid 18 and name HG# ) (resid 18 and name HN ) 3.5 0.7 0.9 ! A.305 at 9.92e+06 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.5 1.2 0.5 ! A.141 at 4.85e+06 assign (resid 18 and name HG# ) (resid 20 and name HN ) 4.5 2.2 2.5 ! A.2005 at 5.24e+05 assign (resid 18 and name HB# ) (resid 20 and name HN ) 4.5 2.2 2.5 ! A.2006 at 6.66e+05 ! K19 assign (resid 19 and name HA ) (resid 19 and name HN ) 2.5 0.7 0.4 ! assign (resid 19 and name HG1 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.147 at 1.81e+06 assign (resid 19 and name HB# ) (resid 19 and name HN ) 3.5 1.2 1.0 ! A.171 at 3.50e+06 assign (resid 19 and name HB# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.21 at 9.93e+06 assign (resid 19 and name HG1 ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.431 at 8.76e+06 assign (resid 19 and name HG1 ) (resid 22 and name HN ) 3.5 1.2 0.9 ! A.450 at 4.85e+06 ! A20 assign (resid 20 and name HA ) (resid 20 and name HN ) 2.5 0.7 0.4 ! assign (resid 20 and name HB# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.23 at 3.84e+07 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.2080 at 2.25e+07 assign (resid 20 and name HN ) (resid 21 and name HB2 ) 4.5 2.2 2.0 ! A.20 at 7.93e+05 assign (resid 20 and name HB# ) (resid 21 and name HN ) 3.5 0.7 0.9 ! A.431 at 4.76e+06 ! D21 assign (resid 21 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.4 ! assign (resid 21 and name HB2 ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.429 at 5.83e+06 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.429 at 1.83e+07 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.4 ! A.440 at 5.94e+06 assign (resid 21 and name HN ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.163 at 3.73e+06 assign (resid 21 and name HN ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.419 at 1.99e+06 ! N22 assign (resid 22 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.4 ! assign (resid 22 and name HN ) (resid 22 and name HD21 ) 4.0 2.2 1.0 ! A.826 at 1.24e+06 assign (resid 22 and name HN ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.827 at 5.57e+05 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 3.0 0.7 0.5 ! A.447 at 2.18e+07 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.5 1.2 0.5 ! A.447 at 5.08e+06 assign (resid 22 and name HB2 ) (resid 22 and name HD22 ) 3.5 1.2 0.5 ! A.814 at 3.21e+06 assign (resid 22 and name HB1 ) (resid 22 and name HD22 ) 4.0 2.2 1.0 ! A.814 at 2.21e+06 assign (resid 22 and name HA ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.811 at 8.88e+05 assign (resid 22 and name HD21 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.828 at 1.39e+06 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 3.5 1.2 0.5 ! A.168 at 3.75e+06 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.5 1.2 0.5 ! A.166 at 4.07e+06 assign (resid 22 and name HD22 ) (resid 23 and name HN ) 4.5 2.2 2.0 ! A.829 at 7.55e+05 assign (resid 22 and name HA ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.2077 at 1.07e+06 assign (resid 22 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.425 at 2.36e+06 assign (resid 22 and name HN ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.442 at 1.60e+06 assign (resid 22 and name HN ) (resid 25 and name HB# ) 3.5 1.2 1.0 ! A.448 at 3.91e+06 assign (resid 22 and name HN ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.441 at 1.53e+06 assign (resid 22 and name HB# ) (resid 25 and name HN ) 4.5 2.2 1.5 ! A.615 at 1.41e+06 assign (resid 22 and name HA ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.200 at 6.03e+05 assign (resid 22 and name HD21 ) (resid 84 and name HN ) 3.5 1.0 0.5 ! A.830 at 5.44e+06 ! A23 assign (resid 23 and name HA ) (resid 23 and name HN ) 2.5 0.7 0.4 ! assign (resid 23 and name HB# ) (resid 23 and name HN ) 2.5 0.7 0.9 ! A.2032 at 1.81e+07 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.5 0.7 0.5 ! A.2078 at 4.98e+06 assign (resid 23 and name HB# ) (resid 24 and name HN ) 3.5 1.2 0.5 ! A.322 at 4.53e+06 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.5 1.2 0.5 ! A.318 at 4.76e+06 assign (resid 23 and name HN ) (resid 25 and name HB# ) 4.0 2.2 1.5 ! A.169 at 1.81e+06 assign (resid 23 and name HA ) (resid 26 and name HN ) 3.5 1.2 0.5 ! A.2039 at 3.83e+06 assign (resid 23 and name HA ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.341 at 1.76e+06 assign (resid 23 and name HN ) (resid 84 and name HG2# ) 3.5 1.2 0.5 ! A.2301 at 5.05e+06* assign (resid 23 and name HN ) (resid 84 and name HB ) 4.0 2.2 1.0 ! A.2302 at 1.61e+06* ! A24 assign (resid 24 and name HA ) (resid 24 and name HN ) 2.5 0.7 0.4 ! assign (resid 24 and name HN ) (resid 25 and name HB# ) 4.0 2.2 1.5 ! A.426 at 1.89e+06 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.5 1.2 0.5 ! A.611 at 4.69e+06 assign (resid 24 and name HN ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.199 at 2.22e+06 assign (resid 24 and name HA ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.2059 at 2.45e+06 assign (resid 24 and name HN ) (resid 84 and name HG2# ) 4.0 2.2 1.0 ! A.428 at 2.78e+06 ! Q25 assign (resid 25 and name HA ) (resid 25 and name HN ) 2.5 0.7 0.4 ! assign (resid 25 and name HE21 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.612 at 5.74e+05 assign (resid 25 and name HG1 ) (resid 25 and name HN ) 3.5 0.7 0.6 ! A.616 at 5.11e+06 assign (resid 25 and name HB# ) (resid 25 and name HN ) 2.5 0.7 0.9 ! A.617 at 2.09e+07 assign (resid 25 and name HG2 ) (resid 25 and name HN ) 3.5 1.2 0.5 ! A.2134 at 3.88e+06 assign (resid 25 and name HB# ) (resid 25 and name HE22 ) 4.0 2.2 1.5 ! A.823 at 1.72e+06 assign (resid 25 and name HB# ) (resid 25 and name HE21 ) 3.5 0.7 0.9 ! A.822 at 5.19e+06 assign (resid 25 and name HG2 ) (resid 25 and name HE21 ) 3.5 0.7 0.4 ! A.796 at 6.49e+06 assign (resid 25 and name HG2 ) (resid 25 and name HE22 ) 3.5 1.2 0.5 ! A.797 at 4.83e+06 assign (resid 25 and name HG1 ) (resid 25 and name HE22 ) 3.5 1.2 0.5 ! A.797 at 4.83e+06 assign (resid 25 and name HG1 ) (resid 25 and name HE21 ) 3.5 1.2 0.5 ! A.821 at 4.15e+06 assign (resid 25 and name HG1 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.203 at 9.52e+05 assign (resid 25 and name HG2 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.204 at 8.70e+05 assign (resid 25 and name HE21 ) (resid 26 and name HG2# ) 4.0 2.2 1.5 ! A.824 at 2.59e+06 assign (resid 25 and name HA ) (resid 28 and name HN ) 3.5 1.2 0.5 ! A.288 at 5.35e+06 assign (resid 25 and name HE21 ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.824 at 1.59e+06 ! V26 assign (resid 26 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.4 ! assign (resid 26 and name HB ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.206 at 2.06e+07 assign (resid 26 and name HG2# ) (resid 26 and name HN ) 2.5 0.7 0.9 ! A.208 at 1.04e+07 assign (resid 26 and name HG1# ) (resid 26 and name HN ) 3.5 0.7 0.9 ! A.208 at 4.74e+06 assign (resid 26 and name HN ) (resid 27 and name HB# ) 4.5 2.2 2.5 ! A.2040 at 8.64e+05 assign (resid 26 and name HA ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.2060 at 2.35e+06 assign (resid 26 and name HB ) (resid 27 and name HN ) 2.5 0.7 0.4 ! A.2061 at 6.75e+06 assign (resid 26 and name HG2# ) (resid 27 and name HN ) 4.0 2.2 1.5 ! A.351 at 1.90e+06 assign (resid 26 and name HG1# ) (resid 27 and name HN ) 4.0 2.2 1.5 ! A.351 at 2.90e+06 assign (resid 26 and name HG2# ) (resid 88 and name HN ) 4.0 2.2 1.5 ! A.576 at 1.55e+06 ! K27 assign (resid 27 and name HA ) (resid 27 and name HN ) 2.5 0.7 0.4 ! assign (resid 27 and name HD# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.347 at 8.33e+06 assign (resid 27 and name HE1 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.343 at 2.29e+06 assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.345 at 9.21e+06 assign (resid 27 and name HG# ) (resid 27 and name HN ) 3.5 1.2 1.0 ! A.350 at 3.22e+06 assign (resid 27 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.294 at 1.84e+06 assign (resid 27 and name HB# ) (resid 28 and name HN ) 3.5 1.2 1.0 ! A.291 at 4.60e+06 assign (resid 27 and name HN ) (resid 28 and name HN ) 2.5 0.7 0.4 ! A.285 at 6.58e+06 assign (resid 27 and name HG# ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.292 at 2.23e+06 assign (resid 27 and name HA ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.237 at 1.70e+06 assign (resid 27 and name HN ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.340 at 2.68e+06 assign (resid 27 and name HA ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.2114 at 9.47e+05 ! D28 assign (resid 28 and name HA ) (resid 28 and name HN ) 2.5 0.7 0.4 ! assign (resid 28 and name HB# ) (resid 28 and name HN ) 2.5 0.7 0.9 ! A.289 at 1.15e+07 assign (resid 28 and name HB# ) (resid 29 and name HN ) 2.5 0.7 0.9 ! A.238 at 1.19e+07 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 0.4 ! A.285 at 6.58e+06 ! A29 assign (resid 29 and name HA ) (resid 29 and name HN ) 2.5 0.7 0.4 ! assign (resid 29 and name HB# ) (resid 29 and name HN ) 2.5 0.7 0.9 ! A.240 at 2.61e+07 assign (resid 29 and name HB# ) (resid 30 and name HN ) 2.5 0.7 0.9 ! A.521 at 8.63e+06 assign (resid 29 and name HN ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.514 at 6.04e+06 assign (resid 29 and name HB# ) (resid 31 and name HN ) 4.0 2.2 1.5 ! A.654 at 1.56e+06 assign (resid 29 and name HN ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.92 at 1.64e+06 assign (resid 29 and name HA ) (resid 33 and name HN ) 3.5 1.2 0.5 ! A.288 at 3.35e+06 ! L30 assign (resid 30 and name HA ) (resid 30 and name HN ) 2.5 0.7 0.4 ! assign (resid 30 and name HD2# ) (resid 30 and name HN ) 3.5 1.2 1.0 ! A.525 at 4.60e+06 assign (resid 30 and name HB2 ) (resid 30 and name HN ) 3.5 1.2 0.5 ! A.522 at 4.59e+06 assign (resid 30 and name HD1# ) (resid 30 and name HN ) 2.5 0.7 0.9 ! A.524 at 9.44e+06 assign (resid 30 and name HB1 ) (resid 30 and name HN ) 3.5 0.7 0.4 ! A.518 at 5.13e+06 assign (resid 30 and name HG ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.520 at 5.87e+06 assign (resid 30 and name HN ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.643 at 2.25e+06 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.2141 at 2.24e+06 assign (resid 30 and name HG ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.2142 at 2.02e+06 assign (resid 30 and name HD2# ) (resid 31 and name HN ) 4.5 2.2 2.5 ! A.657 at 7.30e+05 assign (resid 30 and name HD1# ) (resid 31 and name HN ) 4.0 2.2 1.5 ! A.656 at 1.07e+06 assign (resid 30 and name HB# ) (resid 32 and name HN ) 4.0 2.2 1.5 ! A.98 at 1.27e+06 assign (resid 30 and name HD2# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.2047 at 2.47e+06 assign (resid 30 and name HA ) (resid 33 and name HN ) 3.5 1.2 0.5 ! A.288 at 3.35e+06 assign (resid 30 and name HN ) (resid 33 and name HE# ) 4.0 2.2 1.5 ! A.482 at 1.30e+06 assign (resid 30 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.114 at 1.67e+06 assign (resid 30 and name HD2# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.38 at 2.50e+06 assign (resid 30 and name HD1# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.37 at 1.20e+06 assign (resid 30 and name HD2# ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.316 at 1.54e+06 ! T31 assign (resid 31 and name HA ) (resid 31 and name HN ) 2.5 0.7 0.4 ! assign (resid 31 and name HG2# ) (resid 31 and name HN ) 3.5 1.2 1.0 ! A.655 at 3.69e+06 assign (resid 31 and name HB ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.653 at 2.86e+06 assign (resid 31 and name HG2# ) (resid 32 and name HN ) 3.5 1.2 1.0 ! A.101 at 4.31e+06 assign (resid 31 and name HB ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.97 at 1.53e+06 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.651 at 2.84e+06 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.5 0.7 0.5 ! A.94 at 5.08e+06 assign (resid 31 and name HB ) (resid 34 and name HN ) 4.0 1.2 1.0 ! A.115 at 3.09e+06 assign (resid 31 and name HB ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.471 at 1.33e+06 assign (resid 31 and name HN ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.656 at 2.07e+06 assign (resid 31 and name HN ) (resid 76 and name HD1# ) 4.0 2.2 1.0 ! A.2403 at 2.87e+06* ! K32 assign (resid 32 and name HA ) (resid 32 and name HN ) 2.5 0.7 0.4 ! assign (resid 32 and name HD# ) (resid 32 and name HN ) 3.5 0.7 0.9 ! A.100 at 5.02e+06 assign (resid 32 and name HG# ) (resid 32 and name HN ) 3.5 1.2 1.0 ! A.2019 at 3.29e+06 assign (resid 32 and name HB2 ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.99 at 8.60e+06 assign (resid 32 and name HB1 ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.99 at 7.60e+06 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.291 at 5.60e+06 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.5 1.2 0.5 ! A.288 at 3.35e+06 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.285 at 6.58e+06 assign (resid 32 and name HG1 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.293 at 1.48e+06 assign (resid 32 and name HD1 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.292 at 3.23e+06 assign (resid 32 and name HD1 ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.122 at 3.39e+06 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.114 at 1.57e+06 assign (resid 32 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.93 at 1.11e+06 ! M33 assign (resid 33 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.4 ! assign (resid 33 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.290 at 2.37e+06 assign (resid 33 and name HG2 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.289 at 5.15e+06 assign (resid 33 and name HG1 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.289 at 1.15e+07 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.5 1.2 0.5 ! A.111 at 3.97e+06 assign (resid 33 and name HG1 ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.116 at 1.26e+06 assign (resid 33 and name HB# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.466 at 1.35e+06 assign (resid 33 and name HB# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.105 at 1.13e+06 assign (resid 33 and name HN ) (resid 72 and name HD1# ) 4.0 2.2 1.0 ! A.2404 at 1.43e+06* ! R34 assign (resid 34 and name HA ) (resid 34 and name HN ) 2.5 0.7 0.4 ! assign (resid 34 and name HB# ) (resid 34 and name HN ) 2.5 0.7 0.9 ! A.119 at 5.43e+06 assign (resid 34 and name HG# ) (resid 34 and name HN ) 3.5 0.7 0.9 ! A.121 at 5.36e+06 assign (resid 34 and name HH1# ) (resid 34 and name HE ) 3.5 1.2 1.0 ! A.2172 at 3.23e+06 assign (resid 34 and name HG# ) (resid 34 and name HE ) 4.5 2.2 2.5 ! A.2175 at 1.00e+06 assign (resid 34 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.470 at 2.24e+06 assign (resid 34 and name HB# ) (resid 35 and name HN ) 2.5 0.7 0.9 ! A.2099 at 6.34e+06 assign (resid 34 and name HG2 ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.2100 at 6.93e+06 assign (resid 34 and name HN ) (resid 35 and name HB# ) 4.0 2.2 1.5 ! A.123 at 2.13e+06 assign (resid 34 and name HN ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.112 at 7.84e+05 assign (resid 34 and name HE ) (resid 38 and name HD1# ) 3.5 1.2 1.0 ! A.2176 at 3.27e+06 assign (resid 34 and name HN ) (resid 72 and name HD1# ) 4.0 2.2 1.5 ! A.124 at 2.71e+06 assign (resid 34 and name HN ) (resid 72 and name HG12 ) 3.5 1.2 0.5 ! A.124 at 4.71e+06 ! A35 assign (resid 35 and name HA ) (resid 35 and name HN ) 2.5 0.7 0.4 ! assign (resid 35 and name HN ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.461 at 7.14e+06 assign (resid 35 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.2023 at 2.93e+06 assign (resid 35 and name HN ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.102 at 1.89e+06 assign (resid 35 and name HN ) (resid 38 and name HD1# ) 4.0 2.2 1.5 ! A.2101 at 1.49e+06 assign (resid 35 and name HB# ) (resid 38 and name HN ) 3.5 1.2 1.0 ! A.667 at 3.95e+06 assign (resid 35 and name HN ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.659 at 8.79e+05 assign (resid 35 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.464 at 2.19e+06 ! A36 assign (resid 36 and name HA ) (resid 36 and name HN ) 2.5 0.7 0.4 ! assign (resid 36 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.9 ! A.469 at 3.54e+07 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.2021 at 1.01e+07 assign (resid 36 and name HB# ) (resid 37 and name HN ) 2.5 0.7 0.9 ! A.107 at 3.06e+07 assign (resid 36 and name HB# ) (resid 38 and name HN ) 3.5 1.2 1.0 ! A.667 at 3.95e+06 assign (resid 36 and name HB# ) (resid 40 and name HN ) 3.5 0.7 0.9 ! A.71 at 5.43e+06 assign (resid 36 and name HA ) (resid 40 and name HN ) 3.5 1.2 0.5 ! A.67 at 4.19e+06 ! A37 assign (resid 37 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.4 ! assign (resid 37 and name HB# ) (resid 37 and name HN ) 2.5 0.7 0.9 ! A.107 at 1.06e+07 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.5 1.2 0.5 ! A.2143 at 3.79e+06 assign (resid 37 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.2145 at 1.97e+06 assign (resid 37 and name HN ) (resid 40 and name HB# ) 4.0 2.2 1.5 ! A.108 at 2.13e+06 assign (resid 37 and name HA ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.687 at 1.21e+06 assign (resid 37 and name HN ) (resid 68 and name HD2# ) 4.0 2.2 1.5 ! A.109 at 1.29e+06 assign (resid 37 and name HN ) (resid 68 and name HB1 ) 4.0 2.2 1.0 ! A.106 at 2.95e+06 ! L38 assign (resid 38 and name HA ) (resid 38 and name HN ) 2.5 0.7 0.4 ! assign (resid 38 and name HD2# ) (resid 38 and name HN ) 3.5 1.2 1.0 ! A.668 at 3.12e+06 assign (resid 38 and name HD1# ) (resid 38 and name HN ) 3.5 1.2 1.0 ! A.668 at 3.12e+06 assign (resid 38 and name HG ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.666 at 6.98e+06 assign (resid 38 and name HB2 ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.666 at 5.98e+06 assign (resid 38 and name HD2# ) (resid 39 and name HN ) 3.5 1.2 1.0 ! A.476 at 3.41e+06 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.2094 at 1.07e+07 assign (resid 38 and name HD1# ) (resid 39 and name HN ) 3.5 1.2 1.0 ! A.2096 at 3.27e+06 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.464 at 2.19e+06 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 3.5 1.2 0.5 ! A.467 at 3.91e+06 assign (resid 38 and name HB1 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.2017 at 8.25e+05 assign (resid 38 and name HN ) (resid 41 and name HB# ) 4.0 2.2 1.5 ! A.664 at 2.96e+06 assign (resid 38 and name HB1 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.2152 at 1.16e+06 assign (resid 38 and name HD2# ) (resid 41 and name HE22 ) 2.5 0.7 0.9 ! A.780 at 6.04e+06 assign (resid 38 and name HB2 ) (resid 41 and name HE21 ) 4.0 2.2 1.0 ! A.778 at 1.71e+06 assign (resid 38 and name HD2# ) (resid 41 and name HE21 ) 3.5 1.2 1.0 ! A.779 at 4.03e+06 ! D39 assign (resid 39 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! assign (resid 39 and name HB2 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.475 at 7.86e+06 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.475 at 9.86e+06 assign (resid 39 and name HA ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.66 at 2.97e+06 assign (resid 39 and name HN ) (resid 40 and name HB# ) 4.0 2.2 1.5 ! A.2095 at 2.36e+06 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 3.5 1.2 0.5 ! A.69 at 3.57e+06 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.69 at 5.57e+06 assign (resid 39 and name HN ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.473 at 1.45e+06 assign (resid 39 and name HB2 ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.2151 at 4.10e+05 assign (resid 39 and name HA ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.742 at 6.38e+05 ! A40 assign (resid 40 and name HA ) (resid 40 and name HN ) 2.5 0.7 0.4 ! assign (resid 40 and name HB# ) (resid 40 and name HN ) 2.5 0.7 0.9 ! A.73 at 2.09e+07 assign (resid 40 and name HN ) (resid 41 and name HB# ) 4.5 2.2 2.5 ! A.2016 at 7.69e+05 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.64 at 6.73e+06 assign (resid 40 and name HB# ) (resid 41 and name HN ) 3.5 1.2 1.0 ! A.692 at 4.30e+06 assign (resid 40 and name HN ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.740 at 9.96e+05 assign (resid 40 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.87 at 2.65e+06 assign (resid 40 and name HN ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.74 at 6.90e+05 assign (resid 40 and name HN ) (resid 46 and name HG1 ) 4.0 2.2 1.0 ! A.70 at 1.01e+06 ! Q41 assign (resid 41 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.4 ! assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.5 0.7 0.9 ! A.691 at 5.29e+06 assign (resid 41 and name HB# ) (resid 41 and name HE22 ) 4.0 2.2 1.5 ! A.777 at 1.30e+06 assign (resid 41 and name HB# ) (resid 41 and name HE21 ) 3.5 1.2 1.0 ! A.776 at 3.68e+06 assign (resid 41 and name HG2 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.690 at 1.06e+06 assign (resid 41 and name HG1 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.690 at 1.06e+06 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.5 0.7 0.5 ! A.741 at 5.15e+06 assign (resid 41 and name HB# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.2165 at 2.65e+06 assign (resid 41 and name HA ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.745 at 1.03e+06 assign (resid 41 and name HN ) (resid 43 and name HN ) 3.5 0.7 0.5 ! A.83 at 3.62e+06 assign (resid 41 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.87 at 2.65e+06 ! K42 assign (resid 42 and name HA ) (resid 42 and name HN ) 2.5 0.7 0.4 ! assign (resid 42 and name HG# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.2166 at 1.41e+06 assign (resid 42 and name HD1 ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.748 at 3.61e+06 assign (resid 42 and name HB1 ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.746 at 4.60e+06 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.5 1.2 0.5 ! A.741 at 4.15e+06 assign (resid 42 and name HN ) (resid 43 and name HB# ) 4.0 2.2 1.5 ! A.749 at 2.91e+06 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.88 at 2.21e+06 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.88 at 2.21e+06 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.5 1.2 0.5 ! A.86 at 3.73e+06 ! A43 assign (resid 43 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! assign (resid 43 and name HB# ) (resid 43 and name HN ) 2.5 0.7 0.9 ! A.89 at 1.69e+07 assign (resid 43 and name HN ) (resid 44 and name HN ) 3.5 1.2 0.5 ! A.631 at 3.04e+06 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.5 1.2 0.5 ! A.632 at 4.82e+06 assign (resid 43 and name HN ) (resid 44 and name HA ) 4.0 1.2 1.0 ! A.86 at 2.73e+06 assign (resid 43 and name HN ) (resid 44 and name HB ) 4.0 2.2 1.0 ! A.87 at 2.65e+06 assign (resid 43 and name HB# ) (resid 44 and name HN ) 2.5 0.7 0.9 ! A.618 at 2.39e+07 assign (resid 43 and name HN ) (resid 45 and name HG2 ) 4.0 2.2 1.0 ! A.88 at 2.21e+06 assign (resid 43 and name HN ) (resid 45 and name HA ) 3.5 1.2 0.5 ! A.86 at 3.73e+06 assign (resid 43 and name HN ) (resid 46 and name HD1 ) 4.0 2.2 1.0 ! A.87 at 2.65e+06 ! T44 assign (resid 44 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.4 ! assign (resid 44 and name HB ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.633 at 1.99e+07 assign (resid 44 and name HG2# ) (resid 44 and name HN ) 3.5 0.7 0.9 ! A.2135 at 5.00e+06 ! P45 assign (resid 45 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.535 at 1.33e+06 ! P46 assign (resid 46 and name HD# ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.2160 at 2.44e+06 assign (resid 46 and name HG2 ) (resid 47 and name HN ) 3.5 1.2 0.5 ! A.718 at 3.72e+06 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 3.5 1.2 0.5 ! A.717 at 4.71e+06 assign (resid 46 and name HD# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.2119 at 1.38e+06 assign (resid 46 and name HG2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.536 at 2.09e+06 ! K47 assign (resid 47 and name HA ) (resid 47 and name HN ) 2.5 0.7 0.4 ! assign (resid 47 and name HG1 ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.722 at 9.10e+06 assign (resid 47 and name HB2 ) (resid 47 and name HN ) 3.5 0.7 0.6 ! A.720 at 2.02e+07 assign (resid 47 and name HD# ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.2161 at 2.32e+06 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.5 1.2 0.5 ! A.2118 at 4.16e+06 assign (resid 47 and name HB# ) (resid 48 and name HN ) 3.5 1.2 1.0 ! A.2120 at 3.04e+06 assign (resid 47 and name HN ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.533 at 2.69e+06 assign (resid 47 and name HN ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.714 at 9.57e+05 assign (resid 47 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.387 at 1.06e+06 assign (resid 47 and name HD1 ) (resid 102 and name HD22 ) 4.0 2.2 1.0 ! A.794 at 1.55e+06 ! L48 assign (resid 48 and name HA ) (resid 48 and name HN ) 2.5 0.7 0.4 ! assign (resid 48 and name HB2 ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.539 at 7.99e+06 assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.5 1.2 0.5 ! A.538 at 3.62e+06 assign (resid 48 and name HG ) (resid 48 and name HN ) 3.5 1.2 0.5 ! A.2121 at 3.76e+06 assign (resid 48 and name HD1# ) (resid 48 and name HN ) 4.5 2.2 2.5 ! A.2122 at 8.65e+05 assign (resid 48 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.2123 at 2.39e+06 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.5 1.0 0.5 ! A.534 at 5.44e+06 assign (resid 48 and name HN ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.693 at 6.77e+05 assign (resid 48 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.696 at 1.68e+06 assign (resid 48 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.700 at 1.36e+06 assign (resid 48 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.641 at 2.79e+06 ! E49 assign (resid 49 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.4 ! assign (resid 49 and name HG# ) (resid 49 and name HN ) 4.0 2.2 1.5 ! A.436 at 2.11e+06 assign (resid 49 and name HB# ) (resid 49 and name HN ) 2.5 0.7 0.9 ! A.437 at 8.59e+06 assign (resid 49 and name HB# ) (resid 50 and name HN ) 3.5 1.2 1.0 ! A.699 at 4.81e+06 assign (resid 49 and name HN ) (resid 50 and name HN ) 2.5 0.7 0.4 ! A.694 at 6.24e+06 assign (resid 49 and name HN ) (resid 50 and name HA ) 4.0 2.2 2.0 ! A.433 at 3.03e+06 assign (resid 49 and name HG# ) (resid 50 and name HN ) 4.0 2.2 1.5 ! A.698 at 2.85e+06 assign (resid 49 and name HN ) (resid 51 and name HN ) 3.5 1.2 0.5 ! A.458 at 3.96e+06 ! D50 assign (resid 50 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.4 ! assign (resid 50 and name HB2 ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.697 at 5.47e+00 assign (resid 50 and name HB1 ) (resid 50 and name HN ) 3.5 0.7 0.4 ! A.697 at 1.07e+07 assign (resid 50 and name HN ) (resid 51 and name HB2 ) 3.5 1.2 0.5 ! A.2156 at 3.25e+06 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.390 at 1.79e+06 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.390 at 2.79e+06 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.694 at 7.24e+06 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.5 1.2 0.5 ! A.433 at 3.93e+06 assign (resid 50 and name HN ) (resid 51 and name HG1 ) 4.0 2.2 1.0 ! A.701 at 2.79e+06 ! K51 assign (resid 51 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4 ! assign (resid 51 and name HB# ) (resid 51 and name HN ) 3.5 1.2 1.0 ! A.2086 at 3.89e+06 assign (resid 51 and name HD# ) (resid 51 and name HN ) 4.0 2.2 1.5 ! A.2087 at 1.58e+06 assign (resid 51 and name HG# ) (resid 51 and name HN ) 3.5 1.2 1.0 ! A.459 at 3.25e+06 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.634 at 1.62e+06 assign (resid 51 and name HN ) (resid 52 and name HB2 ) 3.5 1.2 0.5 ! A.388 at 3.08e+06 assign (resid 51 and name HG# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! A.642 at 2.31e+06 assign (resid 51 and name HB# ) (resid 52 and name HN ) 2.5 0.7 0.9 ! A.640 at 5.82e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.636 at 5.39e+06 assign (resid 51 and name HD# ) (resid 57 and name HN ) 4.5 2.2 2.5 ! A.711 at 6.78e+05 assign (resid 51 and name HG2 ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.712 at 5.80e+05 ! S52 assign (resid 52 and name HA ) (resid 52 and name HN ) 2.5 0.7 0.4 ! assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.639 at 8.03e+06 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 3.5 1.5 0.5 ! A.638 at 4.43e+06 assign (resid 52 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.2168 at 2.55e+06 ! P53 assign (resid 53 and name HD1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.755 at 2.20e+06 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.759 at 1.14e+06 assign (resid 53 and name HG1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.760 at 1.29e+06 ! D54 assign (resid 54 and name HA ) (resid 54 and name HN ) 2.5 0.7 0.4 ! assign (resid 54 and name HB1 ) (resid 54 and name HN ) 3.5 1.2 0.5 ! A.756 at 3.01e+06 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.5 1.2 0.5 ! A.758 at 4.15e+06 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.2167 at 4.14e+06 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.2146 at 8.96e+05 assign (resid 54 and name HA ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.669 at 5.39e+06 assign (resid 54 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.663 at 1.59e+06 assign (resid 54 and name HN ) (resid 55 and name HB2 ) 4.0 2.2 1.0 ! A.753 at 2.51e+06 assign (resid 54 and name HN ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.751 at 7.36e+05 assign (resid 54 and name HN ) (resid 57 and name HB1 ) 3.5 1.2 0.5 ! A.760 at 3.29e+06 ! S55 assign (resid 51 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4 ! assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.672 at 3.99e+06 assign (resid 55 and name HA ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.704 at 8.34e+05 ! P56 assign (resid 56 and name HD1 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.707 at 1.86e+06 assign (resid 56 and name HG2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.2159 at 1.01e+06 assign (resid 56 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.275 at 1.51e+06 assign (resid 56 and name HB1 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.452 at 6.25e+05 assign (resid 56 and name HB2 ) (resid 60 and name HN ) 3.5 1.2 0.5 ! A.449 at 3.37e+06 assign (resid 56 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.445 at 1.86e+06 ! E57 assign (resid 57 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.4 ! assign (resid 57 and name HG# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.708 at 2.75e+06 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 2.5 0.7 0.6 ! A.710 at 6.54e+06 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 3.5 0.7 0.4 ! A.710 at 6.54e+06 assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.703 at 1.68e+06 assign (resid 57 and name HB# ) (resid 58 and name HN ) 3.5 1.2 1.0 ! A.2073 at 4.69e+06 assign (resid 57 and name HG# ) (resid 58 and name HN ) 4.5 2.2 2.5 ! A.411 at 7.35e+05 assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.407 at 2.20e+06 assign (resid 57 and name HN ) (resid 59 and name HN ) 4.5 2.2 2.0 ! A.702 at 8.71e+05 assign (resid 57 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.446 at 2.03e+06 ! M58 assign (resid 58 and name HA ) (resid 58 and name HN ) 2.5 0.7 0.4 ! assign (resid 58 and name HB2 ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.415 at 5.78e+06 assign (resid 58 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.413 at 2.71e+06 assign (resid 58 and name HG1 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.410 at 1.63e+06 assign (resid 58 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.274 at 1.79e+06 assign (resid 58 and name HB1 ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.279 at 3.57e+06 assign (resid 58 and name HN ) (resid 59 and name HA ) 4.5 2.2 2.0 ! A.408 at 8.76e+05 assign (resid 58 and name HN ) (resid 59 and name HG# ) 4.5 2.2 2.5 ! A.2074 at 7.61e+05 assign (resid 58 and name HN ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.403 at 4.30e+06 assign (resid 58 and name HB2 ) (resid 59 and name HN ) 4.5 2.2 2.0 ! A.278 at 8.07e+05 assign (resid 58 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.194 at 1.87e+06 ! K59 assign (resid 59 and name HA ) (resid 59 and name HN ) 2.5 0.7 0.4 ! assign (resid 59 and name HG1 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.283 at 2.73e+06 assign (resid 59 and name HB1 ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.281 at 3.11e+06 assign (resid 59 and name HB2 ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.281 at 5.11e+06 assign (resid 59 and name HD1 ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.282 at 4.11e+06 assign (resid 59 and name HD2 ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.282 at 3.11e+06 assign (resid 59 and name HD# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.2082 at 2.04e+06 assign (resid 59 and name HG# ) (resid 60 and name HN ) 3.5 1.2 1.0 ! A.2083 at 4.42e+06 assign (resid 59 and name HB# ) (resid 60 and name HN ) 3.5 1.2 1.0 ! A.449 at 3.37e+06 assign (resid 59 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.446 at 2.03e+06 assign (resid 59 and name HA ) (resid 61 and name HN ) 3.5 1.2 0.5 ! A.177 at 4.26e+06 assign (resid 59 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.193 at 1.90e+06 assign (resid 59 and name HN ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.549 at 1.49e+06 assign (resid 59 and name HD1 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.560 at 1.01e+06 ! D60 assign (resid 60 and name HA ) (resid 60 and name HN ) 2.5 0.7 0.4 ! assign (resid 60 and name HB2 ) (resid 60 and name HN ) 3.5 0.7 0.5 ! A.2081 at 5.45e+06 assign (resid 60 and name HB1 ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.447 at 1.58e+07 assign (resid 60 and name HN ) (resid 61 and name HN ) 3.5 1.2 0.5 ! A.442 at 4.60e+06 assign (resid 60 and name HN ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.451 at 7.96e+05 assign (resid 60 and name HD1 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.2199 at 6.72e+05 ! F61 assign (resid 61 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! assign (resid 61 and name HD# ) (resid 61 and name HN ) 3.5 1.2 1.0 ! A.2035 at 3.02e+06 assign (resid 61 and name HB2 ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.197 at 5.22e+06 assign (resid 61 and name HB1 ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.197 at 7.22e+06 assign (resid 61 and name HB# ) (resid 62 and name HN ) 3.5 1.2 1.0 ! A.2139 at 4.31e+06 assign (resid 61 and name HD1 ) (resid 62 and name HE ) 4.0 2.2 1.0 ! A.2186 at 1.32e+06 assign (resid 61 and name HE1 ) (resid 62 and name HE ) 4.0 2.2 1.0 ! A.2187 at 1.88e+06 assign (resid 61 and name HN ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.177 at 2.26e+06 assign (resid 61 and name HN ) (resid 62 and name HG1 ) 4.0 2.2 1.0 ! A.179 at 2.22e+06 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.550 at 4.40e+06 assign (resid 61 and name HD1 ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.602 at 2.17e+06 assign (resid 61 and name HA ) (resid 66 and name HN ) 4.5 2.2 1.5 ! A.357 at 1.05e+06 ! R62 assign (resid 62 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! assign (resid 62 and name HB# ) (resid 62 and name HN ) 2.5 0.7 0.9 ! A.648 at 5.19e+06 assign (resid 62 and name HG1 ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.2140 at 2.47e+06 assign (resid 62 and name HG2 ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.649 at 2.38e+06 assign (resid 62 and name HH1# ) (resid 62 and name HE ) 3.5 1.2 1.0 ! A.2184 at 4.92e+06 assign (resid 62 and name HH2# ) (resid 62 and name HE ) 3.5 1.2 1.0 ! A.2185 at 4.73e+06 assign (resid 62 and name HN ) (resid 62 and name HE ) 4.0 2.2 1.0 ! A.2188 at 1.23e+06 assign (resid 62 and name HG1 ) (resid 62 and name HE ) 4.0 2.2 1.0 ! A.2190 at 2.47e+06 assign (resid 62 and name HB# ) (resid 62 and name HE ) 3.5 0.7 0.9 ! A.2191 at 5.05e+06 assign (resid 62 and name HG2 ) (resid 62 and name HE ) 3.5 1.2 0.5 ! A.2192 at 3.01e+06 assign (resid 62 and name HB# ) (resid 63 and name HN ) 3.5 1.2 1.0 ! A.2125 at 3.02e+06 assign (resid 62 and name HG2 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.2126 at 1.44e+06 assign (resid 62 and name HN ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.548 at 2.94e+07 assign (resid 62 and name HA ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.2128 at 7.23e+05 assign (resid 62 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.644 at 6.34e+05 ! H63 assign (resid 63 and name HA ) (resid 63 and name HN ) 2.5 0.7 0.4 ! assign (resid 63 and name HD2 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.2124 at 8.05e+05 assign (resid 63 and name HB1 ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.558 at 7.17e+06 assign (resid 63 and name HB2 ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.558 at 6.17e+06 assign (resid 63 and name HN ) (resid 64 and name HN ) 3.5 1.2 0.5 ! A.551 at 4.64e+06 assign (resid 63 and name HB# ) (resid 64 and name HN ) 2.5 0.7 0.9 ! A.2198 at 5.29e+06 assign (resid 63 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.555 at 8.15e+05 assign (resid 63 and name HN ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.352 at 6.38e+05 assign (resid 63 and name HB# ) (resid 66 and name HN ) 4.5 2.2 2.5 ! A.358 at 7.66e+05 assign (resid 63 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.355 at 1.97e+06 assign (resid 63 and name HD2 ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.386 at 6.82e+05 ! G64 assign (resid 64 and name HA# ) (resid 64 and name HN ) 2.5 0.7 0.4 ! assign (resid 64 and name HN ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.2196 at 2.56e+06 assign (resid 64 and name HA1 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.585 at 1.34e+06 assign (resid 64 and name HA# ) (resid 67 and name HN ) 3.5 1.2 1.0 ! A.388 at 3.08e+06 ! F65 assign (resid 65 and name HA ) (resid 65 and name HN ) 2.5 0.7 0.4 ! assign (resid 65 and name HB# ) (resid 65 and name HN ) 4.5 2.2 2.5 ! A.2129 at 9.74e+05 assign (resid 65 and name HD1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.581 at 7.78e+05 assign (resid 65 and name HN ) (resid 66 and name HA ) 4.5 2.2 2.0 ! A.582 at 5.70e+05 assign (resid 65 and name HN ) (resid 66 and name HB1 ) 4.0 2.2 1.0 ! A.586 at 3.00e+06 assign (resid 65 and name HN ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.580 at 2.67e+06 assign (resid 65 and name HN ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.587 at 6.80e+05 assign (resid 65 and name HN ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.354 at 1.81e+06 assign (resid 65 and name HA ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.387 at 6.06e+05 assign (resid 65 and name HN ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.129 at 1.34e+06 assign (resid 65 and name HN ) (resid 68 and name HD1# ) 4.5 2.2 2.5 ! A.589 at 9.27e+05 assign (resid 65 and name HN ) (resid 68 and name HB2 ) 4.0 2.2 1.0 ! A.588 at 1.05e+06 assign (resid 65 and name HN ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.2112 at 7.17e+05 assign (resid 65 and name HA ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.503 at 1.14e+06 ! D66 assign (resid 66 and name HA ) (resid 66 and name HN ) 2.5 0.7 0.4 ! assign (resid 66 and name HB2 ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.359 at 5.51e+06 assign (resid 66 and name HB1 ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.359 at 4.51e+06 assign (resid 66 and name HN ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.2062 at 1.34e+06 assign (resid 66 and name HN ) (resid 67 and name HG11 ) 4.0 2.2 1.0 ! A.2064 at 1.78e+06 assign (resid 66 and name HA ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.2071 at 2.62e+06 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.390 at 1.79e+06 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.390 at 3.79e+06 assign (resid 66 and name HN ) (resid 68 and name HB2 ) 4.5 2.2 2.0 ! A.2063 at 7.38e+05 assign (resid 66 and name HN ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.353 at 1.90e+06 assign (resid 66 and name HA ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.502 at 1.17e+06 assign (resid 66 and name HN ) (resid 69 and name HB ) 4.5 2.2 2.0 ! A.360 at 6.97e+05 ! I67 assign (resid 67 and name HA ) (resid 67 and name HN ) 2.5 0.7 0.4 ! assign (resid 67 and name HD1# ) (resid 67 and name HN ) 3.5 1.2 1.0 ! A.2072 at 3.66e+06 assign (resid 67 and name HG11 ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.393 at 4.06e+06 assign (resid 67 and name HG12 ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.395 at 4.28e+06 assign (resid 67 and name HG2# ) (resid 67 and name HN ) 3.5 1.2 1.0 ! A.396 at 3.08e+06 assign (resid 67 and name HB ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.392 at 7.07e+06 assign (resid 67 and name HA ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.132 at 9.55e+05 assign (resid 67 and name HB ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.2029 at 3.53e+06 assign (resid 67 and name HN ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.353 at 3.21e+06 assign (resid 67 and name HN ) (resid 68 and name HB# ) 4.5 2.2 2.5 ! A.361 at 8.93e+05 assign (resid 67 and name HA ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.505 at 5.64e+05 assign (resid 67 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.2193 at 1.38e+06 assign (resid 67 and name HN ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.919 at 1.37e+06 assign (resid 67 and name HG2# ) (resid 71 and name HE21 ) 2.5 0.7 0.9 ! A.887 at 5.28e+06 assign (resid 67 and name HG2# ) (resid 71 and name HE22 ) 2.5 0.7 0.9 ! A.888 at 5.28e+06 assign (resid 67 and name HA ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.877 at 5.54e+05 assign (resid 67 and name HG2# ) (resid 71 and name HN ) 3.5 1.2 1.0 ! A.232 at 3.84e+06 assign (resid 67 and name HG2# ) (resid 98 and name HN ) 4.0 2.2 1.5 ! A.864 at 1.34e+06 ! L68 assign (resid 68 and name HA ) (resid 68 and name HN ) 2.5 0.7 0.4 ! assign (resid 68 and name HB1 ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.133 at 3.95e+06 assign (resid 68 and name HB2 ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.134 at 5.49e+06 assign (resid 68 and name HD2# ) (resid 68 and name HN ) 4.0 2.2 1.5 ! A.138 at 2.73e+06 assign (resid 68 and name HD1# ) (resid 68 and name HN ) 3.5 1.2 1.0 ! A.136 at 4.74e+06 assign (resid 68 and name HG ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.135 at 6.32e+05 assign (resid 68 and name HN ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.125 at 1.98e+06 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.509 at 2.90e+06 assign (resid 68 and name HA ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.503 at 1.14e+06 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.508 at 2.08e+06 assign (resid 68 and name HB2 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.926 at 6.88e+05 assign (resid 68 and name HN ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.126 at 7.45e+05 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.920 at 6.16e+05 assign (resid 68 and name HN ) (resid 71 and name HE21 ) 2.5 0.7 0.4 ! A.873 at 4.68e+07 assign (resid 68 and name HD1# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.886 at 9.24e+05 assign (resid 68 and name HD1# ) (resid 71 and name HE21 ) 4.0 2.2 1.5 ! A.885 at 1.03e+06 assign (resid 68 and name HG ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.884 at 6.60e+05 assign (resid 68 and name HB2 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.61 at 1.25e+06 ! V69 assign (resid 69 and name HA ) (resid 69 and name HN ) 2.5 0.7 0.4 ! assign (resid 69 and name HB ) (resid 69 and name HN ) 3.5 1.2 0.5 ! A.507 at 4.42e+06 assign (resid 69 and name HG1# ) (resid 69 and name HN ) 3.5 1.2 1.0 ! A.511 at 3.29e+06 assign (resid 69 and name HG2# ) (resid 69 and name HN ) 4.5 2.2 2.5 ! A.512 at 9.14e+05 assign (resid 69 and name HN ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.917 at 2.67e+06 assign (resid 69 and name HG2# ) (resid 70 and name HN ) 4.0 2.2 1.5 ! A.928 at 1.09e+06 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.2194 at 1.38e+06 assign (resid 69 and name HG1# ) (resid 70 and name HN ) 3.5 1.2 1.0 ! A.927 at 3.07e+06 assign (resid 69 and name HN ) (resid 70 and name HA# ) 4.5 2.2 2.5 ! A.504 at 9.29e+05 assign (resid 69 and name HB ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.924 at 2.47e+06 assign (resid 69 and name HG1# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.192 at 1.63e+06 assign (resid 69 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.186 at 1.75e+06 ! G70 assign (resid 70 and name HA# ) (resid 70 and name HN ) 2.5 0.7 0.4 ! assign (resid 70 and name HN ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.918 at 2.11e+07 assign (resid 70 and name HA# ) (resid 71 and name HN ) 3.5 1.2 1.0 ! A.228 at 4.12e+06 assign (resid 70 and name HN ) (resid 71 and name HA ) 4.5 2.2 2.0 ! A.920 at 6.16e+05 assign (resid 70 and name HN ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.923 at 1.00e+06 assign (resid 70 and name HN ) (resid 72 and name HB ) 4.5 2.2 2.0 ! A.925 at 7.64e+05 assign (resid 70 and name HA# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.185 at 1.65e+06 assign (resid 70 and name HN ) (resid 73 and name HB1 ) 4.5 2.2 2.0 ! A.922 at 7.74e+05 assign (resid 70 and name HA# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.157 at 1.10e+06 ! Q71 assign (resid 71 and name HA ) (resid 71 and name HN ) 2.5 0.7 0.4 ! assign (resid 71 and name HE21 ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.244 at 5.55e+05 assign (resid 71 and name HB# ) (resid 71 and name HN ) 2.5 0.7 0.9 ! A.247 at 5.90e+06 assign (resid 71 and name HG1 ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.246 at 6.71e+06 assign (resid 71 and name HN ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.872 at 5.52e+05 assign (resid 71 and name HB# ) (resid 71 and name HE21 ) 4.0 2.2 1.5 ! A.882 at 1.10e+06 assign (resid 71 and name HB# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.883 at 8.52e+05 assign (resid 71 and name HG1 ) (resid 71 and name HE22 ) 4.0 2.2 1.0 ! A.879 at 1.97e+06 assign (resid 71 and name HG2 ) (resid 71 and name HE22 ) 4.0 2.2 1.0 ! A.881 at 2.47e+06 assign (resid 71 and name HG2 ) (resid 71 and name HE21 ) 3.5 1.2 0.5 ! A.880 at 3.62e+06 assign (resid 71 and name HG1 ) (resid 71 and name HE21 ) 4.0 2.2 1.0 ! A.878 at 2.98e+06 assign (resid 71 and name HG1 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.58 at 6.76e+05 assign (resid 71 and name HG2 ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.2013 at 1.10e+06 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.223 at 5.29e+06 assign (resid 71 and name HA ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.55 at 9.52e+05 assign (resid 71 and name HN ) (resid 72 and name HG11 ) 3.5 1.2 0.5 ! A.248 at 3.66e+06 assign (resid 71 and name HE21 ) (resid 72 and name HG11 ) 4.0 2.2 1.0 ! A.885 at 1.03e+06 assign (resid 71 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.183 at 1.25e+06 assign (resid 71 and name HA ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.156 at 5.39e+06 assign (resid 71 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.152 at 1.46e+06 assign (resid 71 and name HB# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.34 at 1.03e+06 assign (resid 71 and name HE22 ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.886 at 9.24e+05 assign (resid 71 and name HE21 ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.885 at 1.03e+06 assign (resid 71 and name HE21 ) (resid 94 and name HD2# ) 4.0 2.2 1.5 ! A.885 at 1.03e+06 assign (resid 71 and name HE22 ) (resid 97 and name HG2# ) 4.5 2.2 2.5 ! A.884 at 6.60e+05 ! I72 assign (resid 72 and name HA ) (resid 72 and name HN ) 2.5 0.7 0.4 ! assign (resid 72 and name HB ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.60 at 6.02e+06 assign (resid 72 and name HG2# ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.2014 at 2.30e+06 assign (resid 72 and name HD1# ) (resid 72 and name HN ) 3.5 1.2 1.0 ! A.2015 at 3.32e+06 assign (resid 72 and name HG11 ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.62 at 5.23e+06 assign (resid 72 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.181 at 2.45e+06 assign (resid 72 and name HD1# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.2034 at 1.86e+06 assign (resid 72 and name HB ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.190 at 4.25e+06 assign (resid 72 and name HG2# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.192 at 1.63e+06 assign (resid 72 and name HG11 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.192 at 1.63e+06 assign (resid 72 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.186 at 1.75e+06 assign (resid 72 and name HG2# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.2031 at 2.14e+06 assign (resid 72 and name HB ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.161 at 2.89e+06 assign (resid 72 and name HA ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.31 at 8.29e+05 assign (resid 72 and name HN ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.25 at 5.59e+05 ! D73 assign (resid 73 and name HA ) (resid 73 and name HN ) 2.5 0.7 0.4 ! assign (resid 73 and name HB2 ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.189 at 4.32e+06 assign (resid 73 and name HB1 ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.187 at 4.36e+06 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.5 1.2 0.5 ! A.182 at 3.38e+06 assign (resid 73 and name HA ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.2030 at 1.09e+06 assign (resid 73 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.28 at 1.46e+06 assign (resid 73 and name HN ) (resid 76 and name HB2 ) 4.5 2.2 2.0 ! A.191 at 7.15e+05 assign (resid 73 and name HA ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.325 at 1.94e+06 ! D74 assign (resid 74 and name HA ) (resid 74 and name HN ) 2.5 0.7 0.4 ! assign (resid 74 and name HB1 ) (resid 74 and name HN ) 3.5 0.7 0.5 ! A.159 at 5.33e+06 assign (resid 74 and name HB2 ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.160 at 1.17e+07 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.33 at 2.85e+06 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.153 at 7.72e+06 assign (resid 74 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.28 at 1.46e+06 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 3.5 1.2 0.5 ! A.32 at 3.10e+06 assign (resid 74 and name HN ) (resid 75 and name HB# ) 3.5 1.2 1.0 ! A.162 at 3.80e+06 assign (resid 74 and name HN ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.151 at 1.06e+06 assign (resid 74 and name HB1 ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.328 at 6.23e+05 assign (resid 74 and name HA ) (resid 77 and name HN ) 3.5 1.2 0.5 ! A.2052 at 3.93e+06 ! A75 assign (resid 75 and name HA ) (resid 75 and name HN ) 2.5 0.7 0.4 ! assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 0.9 ! A.36 at 1.09e+07 assign (resid 75 and name HN ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.324 at 3.03e+06 assign (resid 75 and name HN ) (resid 76 and name HB1 ) 4.0 2.2 1.0 ! A.34 at 1.53e+06 assign (resid 75 and name HA ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.326 at 1.08e+06 assign (resid 75 and name HN ) (resid 77 and name HN ) 4.5 2.2 2.0 ! A.2007 at 5.54e+05 assign (resid 75 and name HB# ) (resid 78 and name HN ) 4.0 2.2 1.5 ! A.628 at 1.24e+06 assign (resid 75 and name HB# ) (resid 79 and name HN ) 3.5 1.2 1.0 ! A.2065 at 3.02e+06 assign (resid 75 and name HN ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.37 at 1.20e+06 ! L76 assign (resid 76 and name HA ) (resid 76 and name HN ) 2.5 0.7 0.4 ! assign (resid 76 and name HD1# ) (resid 76 and name HN ) 4.0 1.2 0.9 ! A.337 at 4.65e+06 assign (resid 76 and name HG ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.332 at 6.76e+05 assign (resid 76 and name HB1 ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.330 at 4.07e+06 assign (resid 76 and name HB2 ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.334 at 5.65e+06 assign (resid 76 and name HD2# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.338 at 2.00e+06 assign (resid 76 and name HB2 ) (resid 77 and name HN ) 3.5 1.2 0.5 ! A.2055 at 4.65e+06 assign (resid 76 and name HD2# ) (resid 77 and name HN ) 2.5 0.7 0.9 ! A.241 at 5.47e+06 assign (resid 76 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.237 at 1.70e+06 assign (resid 76 and name HN ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.323 at 2.75e+06 assign (resid 76 and name HN ) (resid 77 and name HG1 ) 4.0 2.2 1.0 ! A.335 at 1.02e+06 assign (resid 76 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.619 at 6.30e+05 assign (resid 76 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.2062 at 1.46e+06 assign (resid 76 and name HD2# ) (resid 80 and name HN ) 4.0 2.2 1.5 ! A.609 at 1.51e+06 assign (resid 76 and name HA ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.2132 at 5.43e+06 assign (resid 76 and name HD2# ) (resid 80 and name HD22 ) 4.0 2.2 1.5 ! A.819 at 2.92e+06 assign (resid 76 and name HD2# ) (resid 80 and name HD21 ) 4.0 2.2 1.5 ! A.818 at 2.69e+06 assign (resid 76 and name HG ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.560 at 2.02e+06 ! K77 assign (resid 77 and name HA ) (resid 77 and name HN ) 2.5 0.7 0.4 ! assign (resid 77 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.300 at 1.71e+07 assign (resid 77 and name HD# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.2054 at 2.93e+06 assign (resid 77 and name HG# ) (resid 77 and name HN ) 3.5 1.2 1.0 ! A.2056 at 4.64e+06 assign (resid 77 and name HN ) (resid 78 and name HN ) 3.5 1.2 0.5 ! A.620 at 4.82e+06 assign (resid 77 and name HE1 ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.624 at 6.38e+05 assign (resid 77 and name HD1 ) (resid 78 and name HN ) 3.5 1.2 0.5 ! A.628 at 4.24e+06 assign (resid 77 and name HA ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.2131 at 3.82e+06 assign (resid 77 and name HB1 ) (resid 80 and name HD21 ) 4.0 2.2 1.0 ! A.817 at 1.07e+06 assign (resid 77 and name HA ) (resid 80 and name HD22 ) 4.0 2.2 1.0 ! A.812 at 1.55e+06 assign (resid 77 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.595 at 2.00e+06 ! L78 assign (resid 78 and name HA ) (resid 78 and name HN ) 2.5 0.7 0.4 ! assign (resid 78 and name HB1 ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.627 at 6.01e+06 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.2138 at 1.16e+06 assign (resid 78 and name HD2# ) (resid 78 and name HN ) 3.5 1.2 1.0 ! A.630 at 4.82e+06 assign (resid 78 and name HD1# ) (resid 78 and name HN ) 4.0 2.2 1.5 ! A.630 at 1.82e+06 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.0 0.7 0.5 ! A.2063 at 5.76e+06 assign (resid 78 and name HB# ) (resid 79 and name HN ) 3.5 1.2 1.0 ! A.2064 at 3.83e+06 assign (resid 78 and name HD1# ) (resid 79 and name HN ) 3.5 1.2 1.0 ! A.2068 at 4.45e+06 assign (resid 78 and name HN ) (resid 79 and name HN ) 3.5 1.2 0.5 ! A.620 at 4.82e+06 assign (resid 78 and name HD1# ) (resid 81 and name HN ) 4.5 2.2 2.5 ! A.2130 at 6.01e+05 assign (resid 78 and name HN ) (resid 81 and name HB1 ) 4.0 2.2 1.0 ! A.625 at 2.51e+06 assign (resid 78 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.595 at 2.00e+06 assign (resid 78 and name HN ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.621 at 6.36e+05 assign (resid 78 and name HD1# ) (resid 83 and name HN ) 4.0 2.2 1.5 ! A.16 at 2.04e+06 assign (resid 78 and name HD1# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.222 at 1.63e+06 assign (resid 78 and name HD1# ) (resid 87 and name HN ) 3.5 1.2 1.0 ! A.51 at 3.87e+06 assign (resid 78 and name HD1# ) (resid 90 and name HN ) 3.5 1.2 1.0 ! A.232 at 3.84e+06 ! A79 assign (resid 79 and name HA ) (resid 79 and name HN ) 2.5 0.7 0.4 ! assign (resid 79 and name HB# ) (resid 79 and name HN ) 2.5 0.7 0.9 ! A.2066 at 1.31e+07 assign (resid 79 and name HN ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.550 at 4.40e+06 assign (resid 79 and name HB# ) (resid 80 and name HN ) 2.5 0.7 0.9 ! A.608 at 5.86e+06 assign (resid 79 and name HA ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.596 at 9.00e+05 assign (resid 79 and name HB# ) (resid 81 and name HN ) 4.0 2.2 1.5 ! A.600 at 1.53e+06 assign (resid 79 and name HB# ) (resid 82 and name HN ) 4.0 2.2 1.5 ! A.2177 at 1.31e+06 assign (resid 79 and name HB# ) (resid 87 and name HN ) 4.5 2.2 2.5 ! A.50 at 7.52e+05 assign (resid 79 and name HN ) (resid 87 and name HB# ) 2.5 0.7 0.9 ! A.322 at 4.53e+07 ! N80 assign (resid 80 and name HA ) (resid 80 and name HN ) 2.5 0.7 0.4 ! assign (resid 80 and name HD22 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.603 at 6.86e+05 assign (resid 80 and name HD21 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.601 at 1.44e+06 assign (resid 80 and name HB2 ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.605 at 6.82e+06 assign (resid 80 and name HB1 ) (resid 80 and name HN ) 3.5 0.7 0.5 ! A.605 at 4.82e+06 assign (resid 80 and name HB2 ) (resid 80 and name HD22 ) 3.5 1.2 0.5 ! A.814 at 3.21e+06 assign (resid 80 and name HB1 ) (resid 80 and name HD22 ) 3.5 1.2 0.5 ! A.814 at 3.21e+06 assign (resid 80 and name HB1 ) (resid 80 and name HD21 ) 2.5 0.7 0.4 ! A.813 at 8.61e+06 assign (resid 80 and name HB2 ) (resid 80 and name HD21 ) 2.5 0.7 0.4 ! A.813 at 8.61e+06 assign (resid 80 and name HA ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.811 at 8.88e+05 assign (resid 80 and name HN ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.551 at 4.64e+06 assign (resid 80 and name HD21 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.592 at 5.59e+05 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.597 at 2.56e+06 assign (resid 80 and name HB1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.912 at 7.21e+05 ! E81 assign (resid 81 and name HA ) (resid 81 and name HN ) 2.5 0.7 0.4 ! assign (resid 81 and name HB1 ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.599 at 6.22e+06 assign (resid 81 and name HB2 ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.599 at 5.22e+06 assign (resid 81 and name HG# ) (resid 81 and name HN ) 3.5 1.2 1.0 ! A.598 at 4.16e+06 assign (resid 81 and name HN ) (resid 82 and name HN ) 3.5 1.2 0.5 ! A.908 at 4.68e+06 assign (resid 81 and name HN ) (resid 82 and name HA2 ) 4.5 2.2 2.0 ! A.596 at 9.00e+05 assign (resid 81 and name HG# ) (resid 82 and name HN ) 4.5 2.2 2.5 ! A.913 at 9.29e+05 assign (resid 81 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.914 at 1.60e+06 assign (resid 81 and name HB1 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.914 at 1.60e+06 !assign (resid 81 and name HB# ) (resid 83 and name HN ) 4.0 2.2 1.5 ! A.12 at 2.75e+06 ! G82 assign (resid 82 and name HA# ) (resid 82 and name HN ) 2.5 0.7 0.4 ! assign (resid 82 and name HA1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.9 at 2.86e+06 assign (resid 82 and name HN ) (resid 83 and name HN ) 3.5 1.2 0.9 ! A.907 at 3.90e+06 assign (resid 82 and name HN ) (resid 83 and name HB2 ) 4.5 2.2 2.0 ! A.916 at 6.26e+05 assign (resid 82 and name HA2 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.10 at 3.36e+06 ! K83 assign (resid 83 and name HA ) (resid 83 and name HN ) 2.5 0.7 0.4 ! assign (resid 83 and name HD# ) (resid 83 and name HN ) 4.0 2.2 1.5 ! A.2004 at 2.53e+06 assign (resid 83 and name HG1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.15 at 2.98e+06 assign (resid 83 and name HG2 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.15 at 2.98e+06 assign (resid 83 and name HB# ) (resid 83 and name HN ) 3.5 1.2 1.0 ! A.14 at 4.01e+06 assign (resid 83 and name HN ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.375 at 8.41e+05 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.377 at 8.02e+06 assign (resid 83 and name HB# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.382 at 1.66e+06 assign (resid 83 and name HG# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.383 at 2.11e+06 assign (resid 83 and name HA ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.252 at 8.82e+05 assign (resid 83 and name HB## ) (resid 85 and name HN ) 3.5 1.2 1.0 ! A.2043 at 3.89e+06 assign (resid 83 and name HN ) (resid 86 and name HG1 ) 4.5 2.2 2.0 ! A.11 at 8.59e+05 assign (resid 83 and name HB1 ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.220 at 4.89e+06 assign (resid 83 and name HN ) (resid 86 and name HB2 ) 3.5 1.2 0.5 ! A.13 at 3.59e+06 assign (resid 83 and name HN ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.41 at 7.34e+05 assign (resid 83 and name HG1 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.50 at 7.52e+05 ! V84 assign (resid 84 and name HA ) (resid 84 and name HN ) 2.5 0.7 0.4 ! assign (resid 84 and name HB ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.381 at 8.32e+06 assign (resid 84 and name HG1# ) (resid 84 and name HN ) 3.5 1.2 1.0 ! A.384 at 4.12e+06 assign (resid 84 and name HG2# ) (resid 84 and name HN ) 3.5 1.2 1.0 ! A.2071 at 3.56e+06 assign (resid 84 and name HA ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.255 at 1.35e+06 assign (resid 84 and name HN ) (resid 85 and name HG# ) 4.0 2.2 1.5 ! A.2070 at 1.94e+06 assign (resid 84 and name HN ) (resid 85 and name HN ) 3.5 1.2 0.5 ! A.374 at 3.86e+06 assign (resid 84 and name HG1# ) (resid 85 and name HN ) 3.5 1.2 1.0 ! A.264 at 4.37e+06 assign (resid 84 and name HN ) (resid 85 and name HA ) 4.5 2.2 2.0 ! A.378 at 6.50e+05 assign (resid 84 and name HN ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.373 at 9.40e+05 assign (resid 84 and name HN ) (resid 86 and name HG1 ) 4.5 2.2 2.0 ! A.380 at 5.51e+05 assign (resid 84 and name HA ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.45 at 1.70e+06 assign (resid 84 and name HG1# ) (resid 88 and name HN ) 3.5 1.2 1.0 ! A.576 at 3.55e+06 ! K85 assign (resid 85 and name HA ) (resid 85 and name HN ) 2.5 0.7 0.4 ! assign (resid 85 and name HD# ) (resid 85 and name HN ) 3.5 1.2 1.0 ! A.261 at 4.92e+06 assign (resid 85 and name HB# ) (resid 85 and name HN ) 2.5 0.7 0.9 ! A.259 at 7.02e+06 assign (resid 85 and name HG# ) (resid 85 and name HN ) 3.5 0.7 0.9 ! A.263 at 4.81e+06 assign (resid 85 and name HN ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.209 at 4.06e+06 assign (resid 85 and name HG# ) (resid 86 and name HN ) 3.5 1.2 1.0 ! A.221 at 3.51e+06 assign (resid 85 and name HN ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.2042 at 3.48e+05 assign (resid 85 and name HN ) (resid 88 and name HG2 ) 4.5 2.2 2.0 ! A.257 at 7.56e+05 assign (resid 85 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.569 at 1.23e+06 ! E86 assign (resid 86 and name HA ) (resid 86 and name HN ) 2.5 0.7 0.4 ! assign (resid 86 and name HB1 ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.217 at 3.70e+06 assign (resid 86 and name HB2 ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.219 at 5.14e+06 assign (resid 86 and name HG2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.216 at 2.90e+06 assign (resid 86 and name HG1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.214 at 2.12e+06 assign (resid 86 and name HN ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.210 at 3.39e+06 assign (resid 86 and name HG2 ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.47 at 4.04e+06 assign (resid 86 and name HB2 ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.48 at 3.67e+06 assign (resid 86 and name HG1 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.46 at 6.70e+05 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.47 at 4.04e+06 assign (resid 86 and name HA ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.177 at 3.26e+06 assign (resid 86 and name HA ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.228 at 2.12e+06 ! A87 assign (resid 87 and name HA ) (resid 87 and name HN ) 2.5 0.7 0.4 ! assign (resid 87 and name HB# ) (resid 87 and name HN ) 2.5 0.7 0.9 ! A.49 at 1.53e+07 assign (resid 87 and name HN ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.566 at 3.37e+06 assign (resid 87 and name HB# ) (resid 88 and name HN ) 2.5 0.7 0.9 ! A.575 at 7.55e+06 assign (resid 87 and name HA ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.569 at 3.23e+06 assign (resid 87 and name HN ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.42 at 1.53e+06 assign (resid 87 and name HN ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.2009 at 7.79e+05 assign (resid 87 and name HA ) (resid 90 and name HN ) 3.5 1.2 0.5 ! A.228 at 3.12e+06 ! Q88 assign (resid 88 and name HA ) (resid 88 and name HN ) 2.5 0.7 0.4 ! assign (resid 88 and name HG1 ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.572 at 2.61e+06 assign (resid 88 and name HG2 ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.573 at 4.54e+06 assign (resid 88 and name HE21 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.568 at 6.96e+05 assign (resid 88 and name HB# ) (resid 88 and name HN ) 2.5 0.7 0.9 ! A.574 at 5.69e+06 assign (resid 88 and name HG1 ) (resid 88 and name HE21 ) 3.5 1.2 0.5 ! A.821 at 3.15e+06 assign (resid 88 and name HG1 ) (resid 88 and name HE22 ) 4.0 2.2 1.0 ! A.834 at 2.76e+06 assign (resid 88 and name HG2 ) (resid 88 and name HE22 ) 3.5 1.2 0.5 ! A.834 at 3.76e+06 assign (resid 88 and name HG2 ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.2033 at 1.19e+06 assign (resid 88 and name HE21 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.175 at 6.73e+05 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.567 at 4.24e+06 assign (resid 88 and name HE22 ) (resid 89 and name HB# ) 4.0 2.2 1.5 ! A.836 at 1.98e+06 assign (resid 88 and name HG1 ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.178 at 4.76e+06 assign (resid 88 and name HA ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.177 at 3.26e+06 assign (resid 88 and name HB# ) (resid 89 and name HN ) 3.5 1.2 1.0 ! A.179 at 3.22e+06 assign (resid 88 and name HA ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.228 at 2.12e+06 assign (resid 88 and name HB# ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.2059 at 2.60e+06 assign (resid 88 and name HE21 ) (resid 91 and name HB# ) 2.5 0.7 0.9 ! A.837 at 5.38e+06 assign (resid 88 and name HG1 ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.256 at 9.37e+05 assign (resid 88 and name HE21 ) (resid 92 and name HN ) 4.5 2.2 2.0 ! A.676 at 5.69e+05 assign (resid 88 and name HE22 ) (resid 92 and name HB# ) 4.0 2.2 1.5 ! A.835 at 2.60e+06 assign (resid 88 and name HE22 ) (resid 92 and name HG1 ) 4.5 2.2 2.0 ! A.833 at 6.51e+05 ! A89 assign (resid 89 and name HA ) (resid 89 and name HN ) 2.5 0.7 0.4 ! assign (resid 89 and name HB# ) (resid 89 and name HN ) 2.5 0.7 0.9 ! A.180 at 2.75e+07 assign (resid 89 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.173 at 1.67e+06 assign (resid 89 and name HA ) (resid 92 and name HN ) 3.5 1.2 0.5 ! A.677 at 3.59e+06 ! A90 assign (resid 90 and name HA ) (resid 90 and name HN ) 2.5 0.7 0.4 ! assign (resid 90 and name HB# ) (resid 90 and name HN ) 2.5 0.7 0.9 ! A.231 at 3.16e+07 assign (resid 90 and name HN ) (resid 91 and name HN ) 3.5 1.2 0.5 ! A.310 at 4.54e+06 assign (resid 90 and name HA ) (resid 91 and name HN ) 3.5 1.2 0.5 ! A.312 at 3.86e+06 assign (resid 90 and name HN ) (resid 92 and name HN ) 4.0 2.2 1.0 ! A.2147 at 1.21e+06 assign (resid 90 and name HA ) (resid 92 and name HN ) 4.0 2.2 1.0 ! A.677 at 1.59e+06 assign (resid 90 and name HB# ) (resid 93 and name HE22 ) 3.5 1.2 1.0 ! A.799 at 3.50e+06 assign (resid 90 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.225 at 2.18e+06 assign (resid 90 and name HB# ) (resid 93 and name HN ) 4.0 2.2 1.5 ! A.472 at 1.56e+06 assign (resid 90 and name HB# ) (resid 93 and name HE21 ) 3.5 1.2 1.0 ! A.798 at 4.75e+06 ! A91 assign (resid 91 and name HA ) (resid 91 and name HN ) 2.5 0.7 0.4 ! assign (resid 91 and name HB# ) (resid 91 and name HN ) 2.5 0.7 0.9 ! A.2061 at 1.71e+07 assign (resid 91 and name HN ) (resid 92 and name HB# ) 4.0 2.2 1.5 ! A.314 at 2.60e+06 assign (resid 91 and name HN ) (resid 92 and name HN ) 3.5 1.2 0.5 ! A.673 at 4.46e+06 assign (resid 91 and name HB# ) (resid 92 and name HN ) 2.5 0.7 0.9 ! A.683 at 1.14e+07 assign (resid 91 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.311 at 1.10e+06 assign (resid 91 and name HN ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.315 at 3.15e+06 assign (resid 91 and name HA ) (resid 94 and name HN ) 3.5 1.2 0.5 ! A.2089 at 4.65e+06 ! E92 assign (resid 92 and name HA ) (resid 92 and name HN ) 2.5 0.7 0.4 ! assign (resid 92 and name HB# ) (resid 92 and name HN ) 2.5 0.7 0.9 ! A.681 at 1.86e+07 assign (resid 92 and name HG2 ) (resid 92 and name HN ) 2.5 0.7 0.4 ! A.679 at 7.10e+06 assign (resid 92 and name HG1 ) (resid 92 and name HN ) 2.5 0.7 0.4 ! A.679 at 5.10e+06 assign (resid 92 and name HB# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.2115 at 6.95e+06 assign (resid 92 and name HN ) (resid 93 and name HN ) 2.5 0.7 0.4 ! A.675 at 7.52e+06 assign (resid 92 and name HN ) (resid 94 and name HB2 ) 4.0 2.2 1.0 ! A.682 at 1.18e+06 assign (resid 92 and name HA ) (resid 95 and name HN ) 3.5 1.2 0.5 ! A.2105 at 3.57e+06 assign (resid 92 and name HB# ) (resid 95 and name HN ) 4.0 2.2 1.5 ! A.2106 at 2.16e+06 assign (resid 92 and name HG# ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.2107 at 3.62e+06 ! Q93 assign (resid 93 and name HA ) (resid 93 and name HN ) 2.5 0.7 0.4 ! assign (resid 93 and name HE21 ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.527 at 1.11e+06 assign (resid 93 and name HB# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.531 at 1.67e+07 assign (resid 93 and name HG# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.530 at 6.69e+06 assign (resid 93 and name HG# ) (resid 93 and name HE21 ) 2.5 0.7 0.9 ! A.796 at 6.49e+06 assign (resid 93 and name HG# ) (resid 93 and name HE22 ) 3.5 1.2 1.0 ! A.797 at 4.83e+06 assign (resid 93 and name HG# ) (resid 94 and name HN ) 4.0 2.2 1.5 ! A.2090 at 1.52e+06 assign (resid 93 and name HN ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.532 at 6.53e+05 assign (resid 93 and name HN ) (resid 94 and name HB# ) 4.0 2.2 1.5 ! A.2116 at 1.45e+06 assign (resid 93 and name HE21 ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.795 at 7.03e+05 assign (resid 93 and name HB# ) (resid 94 and name HN ) 2.5 0.7 0.9 ! A.426 at 7.89e+06 assign (resid 93 and name HN ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.526 at 6.27e+06 assign (resid 93 and name HA ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.805 at 4.60e+06 assign (resid 93 and name HB# ) (resid 96 and name HN ) 4.5 2.2 2.5 ! A.806 at 9.30e+05 ! L94 assign (resid 94 and name HA ) (resid 94 and name HN ) 2.5 0.7 0.4 ! assign (resid 94 and name HG ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.2091 at 7.49e+06 assign (resid 94 and name HB2 ) (resid 94 and name HN ) 3.0 0.7 0.5 ! A.2092 at 4.73e+06 assign (resid 94 and name HD1# ) (resid 94 and name HN ) 3.5 1.2 1.0 ! A.2093 at 3.52e+06 assign (resid 94 and name HB1 ) (resid 94 and name HN ) 3.5 1.2 0.5 ! A.456 at 5.45e+06 assign (resid 94 and name HD1# ) (resid 95 and name HN ) 4.5 2.2 2.5 ! A.2108 at 7.49e+05 assign (resid 94 and name HN ) (resid 95 and name HN ) 2.5 0.7 0.4 ! A.489 at 6.82e+06 assign (resid 94 and name HB2 ) (resid 96 and name HN ) 4.5 2.2 1.5 ! A.2170 at 1.27e+06 assign (resid 94 and name HG ) (resid 97 and name HN ) 4.5 2.2 2.0 ! A.2162 at 7.41e+05 assign (resid 94 and name HD2# ) (resid 97 and name HN ) 4.5 2.2 2.5 ! A.732 at 5.74e+05 assign (resid 94 and name HD1# ) (resid 97 and name HN ) 4.5 2.2 2.5 ! A.2164 at 3.56e+05 assign (resid 94 and name HB1 ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.729 at 2.45e+06 !assign (resid 94 and name HB2 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.2171 at 9.85e+05 !assign (resid 94 and name HB1 ) (resid 98 and name HN ) 4.0 2.2 1.0 ! A.861 at 1.09e+06 !assign (resid 94 and name HD2# ) (resid 98 and name HN ) 4.5 2.2 2.5 ! A.863 at 9.50e+05 ! K95 assign (resid 95 and name HA ) (resid 95 and name HN ) 2.5 0.7 0.4 ! assign (resid 95 and name HD1 ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.497 at 2.64e+06 assign (resid 95 and name HB2 ) (resid 95 and name HN ) 2.5 0.7 0.4 ! A.495 at 1.55e+07 assign (resid 95 and name HG1 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.2169 at 1.05e+06 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.807 at 3.11e+06 assign (resid 95 and name HB2 ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.807 at 5.11e+06 assign (resid 95 and name HN ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.802 at 4.84e+06 assign (resid 95 and name HA ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.805 at 3.60e+06 assign (resid 95 and name HD# ) (resid 97 and name HN ) 4.0 2.2 1.5 ! A.2163 at 1.06e+06 assign (resid 95 and name HN ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.725 at 1.18e+06 ! T96 assign (resid 96 and name HA ) (resid 96 and name HN ) 2.5 0.7 0.4 ! assign (resid 96 and name HG2# ) (resid 96 and name HN ) 2.5 0.7 0.9 ! A.809 at 9.30e+06 assign (resid 96 and name HB ) (resid 96 and name HN ) 2.5 0.7 0.4 ! A.804 at 1.44e+07 assign (resid 96 and name HN ) (resid 97 and name HN ) 2.5 0.7 0.4 ! A.724 at 1.09e+07 ! T97 assign (resid 97 and name HA ) (resid 97 and name HN ) 2.5 0.7 0.4 ! assign (resid 97 and name HG2# ) (resid 97 and name HN ) 2.5 0.7 0.9 ! A.731 at 1.53e+07 assign (resid 97 and name HB ) (resid 97 and name HN ) 2.5 0.7 0.4 ! A.726 at 1.24e+07 assign (resid 97 and name HN ) (resid 98 and name HA# ) 4.0 2.2 1.5 ! A.727 at 2.86e+06 assign (resid 97 and name HN ) (resid 98 and name HA1 ) 4.0 2.2 1.0 ! A.728 at 2.86e+06 assign (resid 97 and name HN ) (resid 98 and name HA2 ) 4.0 2.2 1.0 ! A.728 at 2.86e+06 assign (resid 97 and name HN ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.857 at 1.10e+07 assign (resid 97 and name HA ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.859 at 4.91e+06 assign (resid 97 and name HB ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.859 at 8.91e+06 assign (resid 97 and name HG2# ) (resid 98 and name HN ) 2.5 0.7 0.9 ! A.862 at 5.76e+06 ! G98 assign (resid 98 and name HA# ) (resid 98 and name HN ) 2.5 0.7 0.4 ! assign (resid 98 and name HN ) (resid 99 and name HN ) 3.5 0.7 0.6 ! A.857 at 5.07e+06 ! R99 assign (resid 99 and name HA ) (resid 99 and name HN ) 2.5 0.7 0.4 ! assign (resid 99 and name HH2# ) (resid 99 and name HE ) 4.0 2.2 1.5 ! A.2179 at 2.33e+06 assign (resid 99 and name HH1# ) (resid 99 and name HE ) 4.0 2.2 1.5 ! A.2180 at 2.84e+06 assign (resid 99 and name HG# ) (resid 99 and name HE ) 4.0 2.2 1.5 ! A.2182 at 1.94e+06 assign (resid 99 and name HG# ) (resid 99 and name HN ) 4.0 2.2 1.5 ! A.456 at 2.45e+06 assign (resid 99 and name HB# ) (resid 99 and name HN ) 2.5 0.7 0.9 ! A.456 at 1.25e+07 assign (resid 99 and name HN ) (resid 100 and name HN ) 3.5 1.2 0.9 ! A.419 at 4.99e+06 assign (resid 99 and name HG# ) (resid 100 and name HN ) 3.5 1.2 1.0 ! A.79 at 4.80e+06 assign (resid 99 and name HB# ) (resid 100 and name HN ) 2.5 0.7 0.9 ! A.79 at 6.80e+06 ! A100 assign (resid 100 and name HA ) (resid 100 and name HN ) 2.5 0.7 0.4 ! assign (resid 100 and name HB# ) (resid 100 and name HN ) 2.5 0.7 0.9 ! A.80 at 2.46e+07 assign (resid 100 and name HB# ) (resid 101 and name HN ) 2.5 0.7 0.9 ! A.905 at 1.12e+07 assign (resid 100 and name HN ) (resid 101 and name HA1 ) 4.0 2.2 1.0 ! A.78 at 1.45e+06 assign (resid 100 and name HN ) (resid 101 and name HA2 ) 4.0 2.2 1.0 ! A.78 at 1.45e+06 assign (resid 100 and name HN ) (resid 101 and name HN ) 2.5 0.7 0.4 ! A.898 at 1.44e+08 assign (resid 100 and name HA ) (resid 101 and name HN ) 3.5 1.2 0.5 ! A.900 at 6.42e+06 ! G101 assign (resid 101 and name HA ) (resid 101 and name HN ) 2.5 0.7 0.4 ! assign (resid 101 and name HA2 ) (resid 102 and name HN ) 3.5 1.2 0.5 ! A.543 at 4.82e+06 assign (resid 101 and name HN ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.898 at 1.44e+06 !assign (resid 101 and name HN ) (resid 103 and name HB1 ) 4.0 2.2 1.0 ! A.903 at 1.09e+06 ! N102 assign (resid 102 and name HA ) (resid 102 and name HN ) 2.5 0.7 0.4 ! assign (resid 102 and name HB2 ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.544 at 1.21e+07 assign (resid 102 and name HB1 ) (resid 102 and name HN ) 3.5 1.2 0.5 ! A.544 at 5.21e+06 assign (resid 102 and name HB2 ) (resid 102 and name HD21 ) 3.5 1.2 0.5 ! A.771 at 3.49e+06 assign (resid 102 and name HB1 ) (resid 102 and name HD21 ) 2.5 0.7 0.4 ! A.771 at 5.49e+06 assign (resid 102 and name HB1 ) (resid 102 and name HD22 ) 3.5 1.2 0.5 ! A.772 at 4.46e+06 assign (resid 102 and name HA ) (resid 102 and name HD21 ) 4.0 2.2 1.0 ! A.789 at 1.44e+06 assign (resid 102 and name HA ) (resid 103 and name HN ) 3.0 0.7 0.6 ! A.266 at 1.10e+07 assign (resid 102 and name HN ) (resid 103 and name HN ) 3.5 0.7 0.4 ! A.302 at 1.07e+07 ! Q103 assign (resid 103 and name HA ) (resid 103 and name HN ) 2.5 0.7 0.4 ! assign (resid 103 and name HN ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.781 at 8.11e+05 assign (resid 103 and name HG1 ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.269 at 2.41e+06 assign (resid 103 and name HG2 ) (resid 103 and name HN ) 3.5 1.2 0.9 ! A.269 at 3.41e+06 assign (resid 103 and name HB1 ) (resid 103 and name HN ) 3.0 0.7 0.6 ! A.306 at 1.28e+07 assign (resid 103 and name HB2 ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.306 at 1.18e+07 assign (resid 103 and name HG2 ) (resid 103 and name HE21 ) 2.5 0.7 0.4 ! A.783 at 5.08e+06 assign (resid 103 and name HB1 ) (resid 103 and name HE21 ) 4.0 2.2 1.0 ! A.784 at 1.11e+06 assign (resid 103 and name HB1 ) (resid 104 and name HN ) 2.5 0.7 0.4 ! A.146 at 1.15e+07 assign (resid 103 and name HE21 ) (resid 104 and name HB2 ) 4.0 2.2 1.0 ! A.785 at 1.74e+06 ! K104 assign (resid 104 and name HA ) (resid 104 and name HN ) 2.5 0.7 0.4 ! assign (resid 104 and name HG# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.147 at 1.81e+06 assign (resid 104 and name HB1 ) (resid 104 and name HN ) 2.5 0.7 0.4 ! A.171 at 1.50e+07 assign (resid 104 and name HB2 ) (resid 104 and name HN ) 3.5 0.7 0.4 ! A.171 at 1.00e+07 assign (resid 104 and name HA ) (resid 105 and name HN ) 3.5 0.7 0.5 ! A.847 at 5.55e+06 ! G105 assign (resid 105 and name HA# ) (resid 105 and name HN ) 2.5 0.7 .0.4 ! assign (resid 105 and name HN ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.846 at 2.59e+06 ! G106 assign (resid 106 and name HA1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! assign (resid 106 and name HA2 ) (resid 106 and name HN ) 2.5 0.7 0.4 ! !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: c3g_cnoeC.PCK ! Date: Tue Aug 31 14:43:06 EDT 2004 ! Path: /home/fengh/My_xplor/Gd7_c3g ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c3g_cnoeC.PCK 297 110 89 73 25 ! Total 297 110 89 73 25 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! A1 ! D2 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.5 1.2 0.5 ! A.588 at 1.03e+07 assign (resid 2 and name HA ) (resid 3 and name HB2 ) 4.5 2.2 2.0 ! A.12 at 3.22e+06 ! L3 assign (resid 3 and name HA ) (resid 3 and name HG ) 4.0 2.2 1.0 ! A.292 at 9.05e+06 ! E4 ! D5 ! N6 ! D7 assign (resid 7 and name ? ) (resid 88 and name HA ) 4.5 2.2 2.0 ! A.0 at 5.67e+01 ! E8 assign (resid 8 and name HB2 ) (resid 9 and name HA ) 4.0 2.2 1.0 ! A.694 at 5.78e+06 ! T9 ! G10 ! N11 ! D12 ! N13 assign (resid 13 and name HA ) (resid 15 and name HG# ) 4.0 2.2 1.5 ! A.10 at 5.97e+06 ! G14 ! K15 assign (resid 15 and name HG# ) (resid 15 and name HE# ) 3.5 1.2 1.5 ! A.704 at 1.92e+07 assign (resid 15 and name HG# ) (resid 15 and name HA ) 3.5 1.2 1.0 ! A.705 at 1.27e+07 assign (resid 15 and name HD# ) (resid 15 and name HA ) 4.5 2.2 2.5 ! A.48 at 5.30e+06 ! G16 ! G17 assign (resid 17 and name HA# ) (resid 18 and name HA ) 3.5 1.2 0.9 ! A.8 at 2.27e+07 ! E18 ! K19 assign (resid 19 and name HD# ) (resid 19 and name HA ) 4.0 2.2 1.5 ! A.48 at 6.30e+06 assign (resid 19 and name HG1 ) (resid 20 and name HA ) 3.5 1.2 0.5 ! A.54 at 1.39e+07 assign (resid 19 and name HG1 ) (resid 21 and name HA ) 4.0 2.2 1.0 ! A.333 at 8.88e+06 assign (resid 19 and name HG1 ) (resid 21 and name HB2 ) 2.5 0.7 0.4 ! A.332 at 2.11e+07 ! A20 assign (resid 20 and name HA ) (resid 25 and name HB# ) 4.5 2.2 2.5 ! A.241 at 5.21e+06 assign (resid 20 and name HA ) (resid 25 and name HG2 ) 2.5 0.7 0.4 ! A.53 at 2.18e+07 ! D21 assign (resid 21 and name HA ) (resid 25 and name HG2 ) 4.5 2.2 2.0 ! A.211 at 5.47e+06 assign (resid 21 and name HA ) (resid 25 and name HB# ) 4.5 2.2 1.5 ! A.17 at 9.14e+06 assign (resid 21 and name HB1 ) (resid 25 and name HB# ) 4.0 2.2 1.5 ! A.177 at 8.01e+06 ! N22 assign (resid 22 and name HA ) (resid 25 and name HB# ) 4.5 2.2 2.5 ! A.240 at 5.37e+06 assign (resid 22 and name HA ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.21 at 2.59e+06 ! A23 assign (resid 23 and name HA ) (resid 26 and name HA ) 4.0 2.2 1.0 ! A.100 at 6.54e+06 assign (resid 23 and name HA ) (resid 26 and name HB ) 3.5 1.2 0.5 ! A.239 at 1.16e+07 assign (resid 23 and name HA ) (resid 26 and name HG2# ) 2.5 0.7 0.9 ! A.378 at 2.69e+07 ! A24 ! Q25 assign (resid 25 and name HA ) (resid 25 and name HG2 ) 3.5 1.2 1.0 ! A.210 at 2.46e+07 assign (resid 25 and name HA ) (resid 28 and name HB# ) 3.5 1.2 1.0 ! A.78 at 1.72e+07 assign (resid 25 and name HA ) (resid 29 and name HB# ) 3.5 0.7 0.9 ! A.307 at 2.28e+07 assign (resid 25 and name HG2 ) (resid 29 and name HB# ) 4.0 2.2 1.5 ! A.309 at 6.74e+06 assign (resid 25 and name HG2 ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A2401 at 1.30e+06* ! V26 assign (resid 26 and name HA ) (resid 26 and name HG1# ) 4.0 2.2 1.5 ! A.507 at 6.04e+06 assign (resid 26 and name HG2# ) (resid 26 and name HA ) 2.5 0.7 0.9 ! A.108 at 3.26e+07 assign (resid 26 and name HG1# ) (resid 27 and name HA ) 4.5 2.2 2.5 ! A.531 at 4.94e+06 assign (resid 26 and name HA ) (resid 29 and name HB# ) 4.5 2.2 2.5 ! A.506 at 2.95e+06 assign (resid 26 and name HG2# ) (resid 30 and name HG ) 4.5 2.2 2.5 ! A.285 at 4.95e+06 assign (resid 26 and name HG1# ) (resid 79 and name HB# ) 3.5 1.2 0.5 ! A.286 at 1.07e+07 assign (resid 26 and name HG1# ) (resid 87 and name HB# ) 4.0 2.2 1.5 ! A.287 at 6.98e+06 assign (resid 26 and name HG2# ) (resid 84 and name HA ) 4.5 2.2 2.5 ! A.377 at 3.30e+06 assign (resid 26 and name HB ) (resid 84 and name HA ) 4.0 2.2 1.5 ! A.2402 at 5.86e+06* ! K27 assign (resid 27 and name HA ) (resid 27 and name HG# ) 4.5 2.2 2.5 ! A.530 at 3.38e+06 assign (resid 27 and name HA ) (resid 28 and name HA ) 4.0 2.2 1.0 ! A.560 at 1.28e+07 assign (resid 27 and name HA ) (resid 30 and name HG ) 4.5 2.2 2.0 ! A.127 at 4.32e+06 assign (resid 27 and name HA ) (resid 76 and name HB2 ) 4.5 2.2 2.0 ! A.315 at 3.55e+06 assign (resid 27 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 1.0 ! A.2403 at 3.86e+06* ! D28 assign (resid 28 and name HA ) (resid 31 and name HB ) 3.5 1.2 0.5 ! A.560 at 1.08e+07 ! A29 assign (resid 29 and name HN ) (resid 30 and name HA ) 4.0 2.2 1.0 ! A.553 at 8.58e+06 assign (resid 29 and name HA ) (resid 30 and name HG ) 4.0 2.2 1.0 ! A.585 at 6.98e+06 ! L30 assign (resid 30 and name HA ) (resid 30 and name HB2 ) 2.5 0.7 0.4 ! A.710 at 2.64e+07 assign (resid 30 and name HB# ) (resid 30 and name HG ) 2.5 0.7 0.4 ! A.711 at 2.77e+07 assign (resid 30 and name HB# ) (resid 30 and name HA ) 2.5 0.7 0.4 ! A.712 at 2.25e+07 assign (resid 30 and name HG ) (resid 30 and name HA ) 4.0 2.2 1.0 ! A.80 at 6.62e+06 assign (resid 30 and name HA ) (resid 30 and name HD1# ) 3.5 1.2 1.0 ! A.353 at 1.12e+07 assign (resid 30 and name HA ) (resid 72 and name HG2# ) 4.5 2.2 2.5 ! A.81 at 3.97e+06 assign (resid 30 and name HD1# ) (resid 75 and name HB# ) 4.0 2.2 2.0 ! A.302 at 6.56e+06 assign (resid 30 and name HN ) (resid 76 and name HA ) 4.5 2.2 1.5 ! A.545 at 7.96e+06 assign (resid 30 and name HD1# ) (resid 76 and name HB2 ) 2.5 0.7 0.9 ! A.302 at 2.56e+07 ! T31 ! K32 assign (resid 32 and name HA ) (resid 32 and name HD# ) 3.5 1.2 1.0 ! A.526 at 1.01e+07 assign (resid 32 and name HA ) (resid 32 and name HG# ) 4.0 2.2 1.5 ! A.527 at 9.05e+06 assign (resid 32 and name HE1 ) (resid 32 and name HG1 ) 3.5 1.2 0.5 ! A.326 at 1.55e+07 assign (resid 32 and name HD1 ) (resid 32 and name HA ) 3.5 1.2 0.5 ! A.86 at 1.32e+07 ! M33 assign (resid 33 and name HB1 ) (resid 68 and name HD1# ) 3.5 1.2 1.0 ! A.674 at 1.72e+07 ! R34 assign (resid 34 and name HD1 ) (resid 34 and name HB# ) 3.5 1.2 1.0 ! A.258 at 1.67e+07 assign (resid 34 and name HD1 ) (resid 34 and name HH1# ) 3.5 1.2 1.0 ! A.633 at 1.48e+07 assign (resid 34 and name HD1 ) (resid 34 and name HA ) 4.5 2.2 2.0 ! A.635 at 3.65e+06 assign (resid 34 and name HD2 ) (resid 34 and name HB# ) 4.5 2.2 2.5 ! A.637 at 5.27e+06 assign (resid 34 and name HD2 ) (resid 34 and name HH1# ) 4.0 2.2 1.5 ! A.640 at 7.59e+06 assign (resid 34 and name HD1 ) (resid 38 and name HD1# ) 4.0 2.2 1.5 ! A.156 at 8.68e+06 assign (resid 34 and name HA ) (resid 68 and name HB1 ) 3.5 1.2 1.0 ! A.278 at 2.23e+07 assign (resid 34 and name HD2 ) (resid 72 and name HD1# ) 4.0 2.2 1.5 ! A.642 at 7.86e+06 assign (resid 34 and name HD1 ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.354 at 8.70e+06 ! A35 assign (resid 35 and name HA ) (resid 38 and name HB1 ) 4.5 2.2 2.0 ! A.87 at 4.32e+06 ! A36 assign (resid 36 and name HA ) (resid 39 and name HB1 ) 3.5 1.2 0.5 ! A.186 at 1.30e+07 ! A37 assign (resid 37 and name HA ) (resid 40 and name HB# ) 3.5 1.2 1.0 ! A.722 at 1.06e+07 assign (resid 37 and name HB# ) (resid 68 and name HB1 ) 4.5 2.2 2.5 ! A.281 at 4.11e+06 assign (resid 37 and name HB# ) (resid 68 and name HD2# ) 4.5 2.2 3.0 ! A.382 at 4.78e+06 ! L38 assign (resid 38 and name HA ) (resid 38 and name HG ) 4.0 2.2 1.0 ! A.566 at 7.65e+06 assign (resid 38 and name HA ) (resid 38 and name HD1# ) 3.5 1.2 1.0 ! A.567 at 1.37e+07 assign (resid 38 and name HB1 ) (resid 38 and name HD2# ) 3.5 1.2 1.0 ! A.381 at 1.48e+07 assign (resid 38 and name HD2# ) (resid 38 and name HB2 ) 2.5 0.7 0.9 ! A.336 at 4.57e+07 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.568 at 7.38e+06 assign (resid 38 and name HA ) (resid 41 and name HG2 ) 4.0 2.2 1.0 ! A.562 at 7.94e+06 assign (resid 38 and name HA ) (resid 41 and name HB2 ) 3.5 1.2 0.5 ! A.563 at 1.48e+07 ! D39 assign (resid 39 and name HB1 ) (resid 40 and name HA ) 3.5 1.2 0.5 ! A.104 at 1.74e+07 assign (resid 39 and name HB1 ) (resid 43 and name HB# ) 4.5 2.2 2.5 ! A.187 at 4.46e+06 ! A40 assign (resid 40 and name HB# ) (resid 41 and name HN ) 4.0 2.2 1.5 ! A.720 at 8.26e+06 assign (resid 40 and name HB# ) (resid 42 and name HN ) 4.5 2.2 2.5 ! A.721 at 5.47e+06 ! Q41 assign (resid 41 and name HB# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.666 at 5.52e+06 assign (resid 41 and name HG# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.667 at 8.74e+06 assign (resid 41 and name HG1 ) (resid 42 and name HD1 ) 4.5 2.2 2.0 ! A.297 at 4.07e+06 assign (resid 41 and name HG2 ) (resid 42 and name HD1 ) 4.5 2.2 2.0 ! A.297 at 4.07e+06 assign (resid 41 and name HA ) (resid 48 and name HD1# ) 2.5 0.7 0.9 ! A.106 at 2.11e+07 ! K42 assign (resid 42 and name HA ) (resid 42 and name HE1 ) 4.5 2.2 2.0 ! A.167 at 3.49e+06 assign (resid 42 and name HG# ) (resid 42 and name HE# ) 3.5 1.2 1.5 ! A.707 at 1.43e+07 assign (resid 42 and name HG# ) (resid 42 and name HA ) 4.0 2.2 1.5 ! A.708 at 7.50e+06 assign (resid 42 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.572 at 6.30e+06 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.673 at 5.23e+06 ! A43 !assign (resid 43 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.600 at 3.70e+07 assign (resid 43 and name HA ) (resid 44 and name HA ) 4.0 2.2 1.0 ! A.85 at 5.87e+06 ! T44 assign (resid 44 and name HA ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.528 at 5.33e+06 assign (resid 44 and name HA ) (resid 45 and name HB2 ) 4.0 2.2 1.0 ! A.271 at 6.66e+06 assign (resid 44 and name HA ) (resid 45 and name HD1 ) 3.5 1.2 0.5 ! A.601 at 1.50e+07 assign (resid 44 and name HG2# ) (resid 46 and name HG1 ) 3.5 1.2 1.0 ! A.204 at 1.72e+07 ! P45 assign (resid 45 and name HA ) (resid 45 and name HG# ) 4.5 2.2 2.5 ! A.509 at 4.27e+06 ! P46 assign (resid 46 and name HG2 ) (resid 46 and name HA ) 4.0 2.2 1.0 ! A.62 at 7.62e+06 assign (resid 46 and name HB1 ) (resid 46 and name HD1 ) 4.0 2.2 1.0 ! A.126 at 9.93e+06 assign (resid 46 and name HA ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.508 at 5.15e+06 assign (resid 46 and name HA ) (resid 47 and name HA ) 4.5 2.2 2.0 ! A.128 at 2.67e+06 assign (resid 46 and name HG1 ) (resid 48 and name HD1# ) 4.5 2.2 2.5 ! A.216 at 5.29e+06 ! K47 assign (resid 47 and name HG1 ) (resid 47 and name HA ) 4.0 2.2 1.0 ! A.69 at 7.39e+06 ! L48 assign (resid 48 and name HA ) (resid 48 and name HG ) 4.5 2.2 2.0 ! A.556 at 5.24e+06 assign (resid 48 and name HA ) (resid 49 and name HB1 ) 4.0 2.2 1.0 ! A.554 at 5.86e+06 ! E49 assign (resid 49 and name HB# ) (resid 50 and name HB2 ) 4.0 2.2 1.5 ! A.173 at 6.51e+06 ! D50 assign (resid 50 and name HA ) (resid 51 and name HG1 ) 4.0 2.2 1.0 ! A.333 at 5.88e+06 ! K51 assign (resid 51 and name HA ) (resid 51 and name HD# ) 3.5 1.2 1.0 ! A.591 at 1.18e+07 assign (resid 51 and name HA ) (resid 51 and name HG# ) 3.5 1.2 1.0 ! A.592 at 1.14e+07 assign (resid 51 and name HG2 ) (resid 51 and name HA ) 4.0 2.2 1.0 ! A.27 at 8.79e+06 assign (resid 51 and name HA ) (resid 52 and name HB2 ) 4.5 2.2 2.0 ! A.115 at 3.56e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.593 at 1.37e+07 ! S52 assign (resid 52 and name HN ) (resid 53 and name HD1 ) 4.5 2.2 2.0 ! A.604 at 3.71e+06 assign (resid 52 and name HA ) (resid 53 and name HG1 ) 3.5 1.2 0.5 ! A.680 at 1.02e+07 ! P53 assign (resid 53 and name HA ) (resid 53 and name HD1 ) 4.5 2.2 2.0 ! A.125 at 2.63e+06 ! D54 ! S55 assign (resid 55 and name HA ) (resid 56 and name HD1 ) 3.5 0.7 0.4 ! A.94 at 2.04e+07 assign (resid 55 and name HN ) (resid 56 and name HD1 ) 4.5 2.2 2.0 ! A.602 at 3.73e+06 assign (resid 55 and name HB1 ) (resid 56 and name HD1 ) 4.0 2.2 1.0 ! A.120 at 6.47e+06 ! P56 assign (resid 56 and name HG1 ) (resid 56 and name HA ) 3.5 1.2 0.5 ! A.677 at 1.22e+07 assign (resid 56 and name HA ) (resid 56 and name HG2 ) 4.5 2.2 2.0 ! A.250 at 4.03e+06 assign (resid 56 and name HD1 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.603 at 6.31e+06 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.689 at 5.08e+06 assign (resid 56 and name HB1 ) (resid 59 and name HG1 ) 3.5 1.2 0.5 ! A.203 at 1.13e+07 assign (resid 56 and name HB1 ) (resid 60 and name HB1 ) 4.0 2.2 1.0 ! A.172 at 8.36e+06 assign (resid 56 and name HB2 ) (resid 105 and name HA1 ) 3.5 1.2 0.5 ! A.272 at 1.15e+07 ! E57 assign (resid 57 and name HA ) (resid 57 and name HG# ) 3.5 1.2 1.0 ! A.521 at 1.53e+07 assign (resid 57 and name HG1 ) (resid 57 and name HA ) 3.5 1.2 0.5 ! A.669 at 1.11e+07 ! M58 assign (resid 58 and name HA ) (resid 61 and name HB# ) 4.5 2.2 2.5 ! A.653 at 2.92e+06 assign (resid 58 and name HA ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.2 at 3.42e+06 assign (resid 58 and name HG2 ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.184 at 5.21e+06 ! K59 assign (resid 59 and name HA ) (resid 59 and name HE# ) 3.5 1.2 1.0 ! A.170 at 1.01e+07 assign (resid 59 and name HA ) (resid 59 and name HD1 ) 4.0 2.2 1.0 ! A.303 at 7.38e+06 assign (resid 59 and name HA ) (resid 59 and name HD2 ) 4.0 2.2 1.0 ! A.303 at 6.38e+06 assign (resid 59 and name HE1 ) (resid 59 and name HB1 ) 2.5 0.7 0.4 ! A.274 at 6.08e+06 assign (resid 59 and name HE1 ) (resid 59 and name HB2 ) 3.5 0.7 0.4 ! A.274 at 6.08e+06 ! D60 assign (resid 60 and name HA ) (resid 61 and name HN ) 4.5 2.2 2.0 ! A.558 at 3.97e+06 assign (resid 60 and name HA ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.557 at 5.16e+06 assign (resid 60 and name HA ) (resid 63 and name HB1 ) 3.5 1.2 0.5 ! A.559 at 1.08e+07 assign (resid 60 and name HB1 ) (resid 64 and name HA1 ) 4.0 2.2 1.0 ! A.610 at 6.45e+06 assign (resid 60 and name HB2 ) (resid 64 and name HA1 ) 4.5 2.2 2.0 ! A.611 at 5.25e+06 ! F61 assign (resid 61 and name HB# ) (resid 61 and name HD# ) 4.5 2.2 3.0 ! A.651 at 4.09e+06 assign (resid 61 and name HB# ) (resid 61 and name HE# ) 4.0 2.2 2.0 ! A.652 at 7.35e+06 assign (resid 61 and name HD# ) (resid 62 and name HA ) 4.5 2.2 2.5 ! A.515 at 4.25e+06 assign (resid 61 and name HE# ) (resid 62 and name HA ) 4.5 2.2 2.5 ! A.516 at 3.41e+06 assign (resid 61 and name HN ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.517 at 8.56e+06 assign (resid 61 and name HB# ) (resid 62 and name HN ) 4.5 2.2 2.5 ! A.655 at 5.41e+06 assign (resid 61 and name HB1 ) (resid 62 and name HG1 ) 4.5 2.2 2.0 ! A.151 at 4.32e+06 !assign (resid 61 and name HB# ) (resid 67 and name HD1# ) 4.5 2.2 3.0 ! A.384 at 4.79e+06 ! R62 assign (resid 62 and name HD1 ) (resid 62 and name HH2# ) 4.0 2.2 1.5 ! A.615 at 8.25e+06 assign (resid 62 and name HD1 ) (resid 62 and name HH1# ) 4.0 2.2 1.5 ! A.616 at 9.22e+06 assign (resid 62 and name HD2 ) (resid 62 and name HH1# ) 3.5 1.2 1.0 ! A.619 at 1.06e+07 assign (resid 62 and name HD2 ) (resid 62 and name HH2# ) 3.5 1.2 1.0 ! A.620 at 1.03e+07 assign (resid 62 and name HD2 ) (resid 62 and name HB# ) 3.5 1.2 1.0 ! A.622 at 1.58e+07 assign (resid 62 and name HD1 ) (resid 62 and name HB# ) 3.5 1.2 1.0 ! A.625 at 1.27e+07 assign (resid 62 and name HA ) (resid 62 and name HD# ) 4.5 2.2 2.5 ! A.143 at 4.48e+06 assign (resid 62 and name HD2 ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.102 at 5.00e+06 assign (resid 62 and name HD1 ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.102 at 5.00e+06 assign (resid 62 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.518 at 9.17e+06 assign (resid 62 and name HA ) (resid 63 and name HA ) 4.5 2.2 2.0 ! A.14 at 4.61e+06 assign (resid 62 and name HA ) (resid 65 and name HD2 ) 4.5 2.2 2.0 ! A.514 at 4.19e+06 ! H63 assign (resid 63 and name HA ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.539 at 3.55e+06 assign (resid 63 and name HN ) (resid 64 and name HA1 ) 4.5 2.2 2.0 ! A.607 at 3.63e+06 assign (resid 63 and name HB# ) (resid 64 and name HN ) 4.5 2.2 2.5 ! A.697 at 3.31e+06 assign (resid 63 and name HA ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.540 at 4.48e+06 ! G64 assign (resid 64 and name HA1 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.608 at 5.98e+06 assign (resid 64 and name HA1 ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.609 at 3.92e+06 assign (resid 64 and name HA1 ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.351 at 2.58e+06 assign (resid 64 and name HA1 ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.289 at 3.23e+06 assign (resid 64 and name HA# ) (resid 67 and name HB ) 4.5 2.2 2.5 ! A.121 at 4.62e+06 assign (resid 64 and name HA1 ) (resid 68 and name HB2 ) 4.5 2.2 2.0 ! A.304 at 2.72e+06 assign (resid 64 and name HA1 ) (resid 68 and name HD1# ) 4.5 2.2 2.5 ! A.371 at 3.79e+06 assign (resid 64 and name HA# ) (resid 68 and name HD1# ) 2.5 0.7 1.4 ! A.106 at 2.11e+07 ! F65 assign (resid 65 and name HB# ) (resid 66 and name HA ) 4.0 2.2 1.5 ! A.541 at 6.38e+06 assign (resid 65 and name HB2 ) (resid 68 and name HB2 ) 4.5 2.2 2.0 ! A.306 at 3.15e+06 assign (resid 65 and name HA ) (resid 68 and name HB2 ) 3.5 1.2 0.5 ! A.51 at 1.43e+07 ! D66 ! I67 assign (resid 67 and name HA ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.511 at 4.99e+06 assign (resid 67 and name HA ) (resid 67 and name HG2# ) 4.5 2.2 2.5 ! A.512 at 5.18e+06 assign (resid 67 and name HB ) (resid 68 and name HA ) 4.0 2.2 1.0 ! A.549 at 6.76e+06 assign (resid 67 and name HA ) (resid 68 and name HA ) 4.5 2.2 2.0 ! A.550 at 3.72e+06 assign (resid 67 and name HB ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.660 at 7.41e+06 assign (resid 67 and name HG2# ) (resid 68 and name HN ) 4.5 2.2 2.5 ! A.726 at 4.18e+06 ! L68 assign (resid 68 and name HA ) (resid 68 and name HD2# ) 4.0 2.2 1.5 ! A.552 at 6.85e+06 assign (resid 68 and name HB2 ) (resid 68 and name HD1# ) 2.5 0.7 0.9 ! A.372 at 2.64e+07 assign (resid 68 and name HA ) (resid 68 and name HD1# ) 4.0 2.2 1.5 ! A.367 at 6.70e+06 assign (resid 68 and name HG ) (resid 72 and name HD1# ) 4.0 2.2 1.5 ! A.700 at 8.16e+06 ! V69 ! G70 assign (resid 70 and name HA# ) (resid 71 and name HB1 ) 4.5 2.2 2.5 ! A.191 at 5.43e+06 assign (resid 70 and name HA# ) (resid 73 and name HB1 ) 4.0 2.2 1.5 ! A.605 at 6.42e+06 ! Q71 assign (resid 71 and name HA ) (resid 71 and name HG1 ) 4.0 2.2 1.0 ! A.190 at 9.97e+06 assign (resid 71 and name HG2 ) (resid 71 and name HA ) 3.5 1.2 0.6 ! A.73 at 3.75e+07 assign (resid 71 and name HA ) (resid 74 and name HB1 ) 4.0 2.2 1.0 ! A.538 at 6.35e+06 assign (resid 71 and name HA ) (resid 74 and name HB2 ) 2.5 0.7 0.4 ! A.72 at 2.01e+07 assign (resid 71 and name HG1 ) (resid 94 and name HD2# ) 4.0 2.2 1.5 ! A.364 at 6.39e+06 assign (resid 71 and name HB# ) (resid 94 and name HD1# ) 2.5 0.7 1.4 ! A.237 at 3.47e+07 ! I72 assign (resid 72 and name HA ) (resid 72 and name HG2# ) 4.5 2.2 2.5 ! A.352 at 3.21e+06 assign (resid 72 and name HB ) (resid 72 and name HD1# ) 4.0 2.2 1.5 ! A.657 at 7.65e+06 assign (resid 72 and name HA ) (resid 73 and name HA ) 4.0 2.2 1.0 ! A.569 at 9.32e+06 assign (resid 72 and name HN ) (resid 73 and name HB1 ) 4.0 2.2 1.0 ! A.654 at 8.35e+06 assign (resid 72 and name HB ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.659 at 3.78e+06 assign (resid 72 and name HG2# ) (resid 76 and name HB2 ) 3.5 1.2 1.0 ! A.320 at 1.28e+07 assign (resid 72 and name HA ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.136 at 6.97e+06 ! D73 assign (resid 73 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 1.5 ! A.373 at 7.40e+06 assign (resid 73 and name HA ) (resid 76 and name HB1 ) 4.5 2.2 2.0 ! A.646 at 3.88e+06 assign (resid 73 and name HA ) (resid 77 and name HN ) 4.5 2.2 2.0 ! A.571 at 5.29e+06 ! D74 assign (resid 74 and name HB2 ) (resid 75 and name HA ) 3.5 1.2 0.5 ! A.584 at 1.05e+07 assign (resid 74 and name HB2 ) (resid 77 and name HG1 ) 4.5 2.2 2.0 ! A.194 at 3.87e+06 assign (resid 74 and name HB2 ) (resid 77 and name HD2 ) 4.5 2.2 1.5 ! A.193 at 9.23e+06 ! A75 assign (resid 75 and name HN ) (resid 76 and name HA ) 4.0 2.2 1.0 ! A.543 at 7.33e+06 assign (resid 75 and name HA ) (resid 78 and name HD2# ) 3.5 1.2 1.0 ! A.383 at 1.72e+07 assign (resid 75 and name HA ) (resid 94 and name HD1# ) 4.0 2.2 1.0 ! A.2405 at 7.20e+06* assign (resid 75 and name HB# ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.2406 at 1.74e+07* ! L76 assign (resid 76 and name HA ) (resid 76 and name HG ) 4.5 2.2 2.0 ! A.300 at 3.75e+06 assign (resid 76 and name HB1 ) (resid 76 and name HD1# ) 3.5 1.2 1.0 ! A.374 at 1.15e+07 assign (resid 76 and name HB2 ) (resid 76 and name HD1# ) 2.5 0.7 0.9 ! A.375 at 2.51e+07 assign (resid 76 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.544 at 6.94e+06 assign (resid 76 and name HB1 ) (resid 77 and name HA ) 4.5 2.2 2.0 ! A.91 at 4.21e+06 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.647 at 6.58e+06 assign (resid 76 and name HG ) (resid 77 and name HA ) 4.0 2.2 1.0 ! A.90 at 6.39e+06 ! K77 assign (resid 77 and name HE1 ) (resid 77 and name HB1 ) 3.5 1.2 0.9 ! A.274 at 2.08e+07 assign (resid 77 and name HE1 ) (resid 78 and name HD2# ) 2.5 0.7 0.9 ! A.385 at 3.17e+07 assign (resid 77 and name HA ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.523 at 6.82e+06 assign (resid 77 and name HA ) (resid 80 and name HB1 ) 3.5 1.2 0.5 ! A.92 at 1.76e+07 assign (resid 77 and name HE1 ) (resid 81 and name HG2 ) 4.0 2.2 1.0 ! A.164 at 6.29e+06 ! L78 assign (resid 78 and name HA ) (resid 78 and name HD2# ) 3.5 1.2 1.0 ! A.576 at 1.56e+07 assign (resid 78 and name HB2 ) (resid 78 and name HD2# ) 3.5 1.2 1.0 ! A.386 at 2.00e+07 assign (resid 78 and name HD1# ) (resid 79 and name HA ) 4.5 2.2 2.5 ! A.587 at 4.75e+06 assign (resid 78 and name HB1 ) (resid 87 and name HB# ) 4.0 2.2 1.5 ! A.284 at 5.98e+06 assign (resid 78 and name HD1# ) (resid 87 and name HB# ) 2.5 0.7 1.4 ! A.298 at 3.29e+07 assign (resid 78 and name HB2 ) (resid 90 and name HB# ) 3.5 1.2 0.9 ! A.2407 at 1.75e+07* ! A79 assign (resid 79 and name HB# ) (resid 80 and name HB2 ) 4.0 2.2 1.5 ! A.348 at 9.74e+06 assign (resid 79 and name HA ) (resid 87 and name HB# ) 4.0 2.2 1.5 ! A.321 at 9.06e+06 ! N80 ! E81 assign (resid 81 and name HA ) (resid 81 and name HG# ) 3.5 1.2 1.0 ! A.582 at 1.65e+07 ! G82 assign (resid 82 and name HA1 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.613 at 4.73e+06 assign (resid 82 and name HA2 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.614 at 5.75e+06 ! K83 assign (resid 83 and name HA ) (resid 83 and name HD# ) 4.0 2.2 1.5 ! A.596 at 6.56e+06 assign (resid 83 and name HA ) (resid 83 and name HG# ) 3.5 1.2 1.0 ! A.597 at 1.06e+07 assign (resid 83 and name HD1 ) (resid 83 and name HA ) 4.0 1.2 1.5 ! A.11 at 1.62e+07 assign (resid 83 and name HA ) (resid 84 and name HG2# ) 4.0 2.2 1.5 ! A.598 at 6.94e+06 assign (resid 83 and name HB# ) (resid 85 and name HN ) 4.0 2.2 1.5 ! A.693 at 5.76e+06 assign (resid 83 and name HB1 ) (resid 86 and name HG2 ) 4.0 2.2 1.0 ! A.226 at 6.12e+06 assign (resid 83 and name HB# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.692 at 6.23e+06 ! V84 assign (resid 84 and name HB ) (resid 84 and name HN ) 3.5 1.2 0.5 ! A.681 at 1.55e+07 assign (resid 84 and name HA ) (resid 85 and name HA ) 4.0 2.2 1.0 ! A.519 at 7.35e+06 ! K85 assign (resid 85 and name HA ) (resid 85 and name HE# ) 4.5 2.2 2.5 ! A.158 at 4.40e+06 assign (resid 85 and name HE1 ) (resid 85 and name HG# ) 3.5 1.2 1.0 ! A.326 at 1.55e+07 assign (resid 85 and name HA ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.522 at 5.55e+06 assign (resid 85 and name HG# ) (resid 86 and name HG2 ) 4.5 2.2 2.5 ! A.662 at 4.45e+06 assign (resid 85 and name HG# ) (resid 86 and name HG1 ) 4.5 2.2 2.5 ! A.665 at 4.78e+06 assign (resid 85 and name HG# ) (resid 88 and name HG2 ) 4.5 2.2 2.5 ! A.327 at 5.11e+06 assign (resid 85 and name HG# ) (resid 88 and name HG1 ) 3.5 1.2 1.0 ! A.670 at 1.32e+07 ! E86 assign (resid 86 and name HG2 ) (resid 86 and name HA ) 3.5 1.2 0.5 ! A.109 at 1.40e+07 assign (resid 86 and name HG2 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.663 at 4.46e+06 assign (resid 86 and name HG1 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.664 at 3.08e+06 ! A87 assign (resid 87 and name HB# ) (resid 88 and name HA ) 4.0 2.2 1.5 ! A.534 at 6.79e+06 ! Q88 assign (resid 88 and name HA ) (resid 88 and name HG2 ) 3.5 1.2 0.5 ! A.532 at 1.27e+07 assign (resid 88 and name HA ) (resid 88 and name HG1 ) 3.5 1.2 0.5 ! A.200 at 1.57e+07 ! A89 assign (resid 89 and name HA ) (resid 92 and name HB# ) 4.0 2.2 1.5 ! A.234 at 6.36e+06 ! A90 assign (resid 90 and name HB# ) (resid 93 and name HB# ) 4.0 2.2 2.0 ! A.314 at 6.16e+06 assign (resid 90 and name HA ) (resid 93 and name HG# ) 3.5 1.2 1.0 ! A.202 at 1.46e+07 assign (resid 90 and name HA ) (resid 93 and name HB# ) 3.5 1.2 1.0 ! A.234 at 1.36e+07 ! A91 assign (resid 91 and name HB# ) (resid 92 and name HG2 ) 3.5 1.2 1.0 ! A.342 at 1.85e+07 assign (resid 91 and name HA ) (resid 94 and name HB1 ) 4.5 2.2 2.0 ! A.124 at 5.00e+06 ! E92 assign (resid 92 and name HA ) (resid 92 and name HG2 ) 3.5 1.2 0.5 ! A.223 at 1.38e+07 assign (resid 92 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.537 at 5.94e+06 assign (resid 92 and name HN ) (resid 93 and name HG2 ) 3.5 0.7 0.9 ! A.671 at 2.22e+07 assign (resid 92 and name HN ) (resid 93 and name HB# ) 4.5 2.2 2.5 ! A.699 at 4.65e+06 ! Q93 assign (resid 93 and name HB# ) (resid 94 and name HB2 ) 4.5 2.2 2.5 ! A.343 at 3.76e+06 assign (resid 93 and name HB# ) (resid 94 and name HD2# ) 4.0 2.2 2.0 ! A.698 at 9.06e+06 ! L94 assign (resid 94 and name HB1 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.368 at 1.57e+07 assign (resid 94 and name HD1# ) (resid 94 and name HA ) 4.5 2.2 2.5 ! A.57 at 5.00e+06 assign (resid 94 and name HB1 ) (resid 98 and name HA2 ) 3.5 1.2 0.5 ! A.282 at 1.90e+07 ! K95 assign (resid 95 and name HG1 ) (resid 95 and name HA ) 4.0 2.2 1.0 ! A.69 at 6.39e+06 ! T96 assign (resid 96 and name HA ) (resid 96 and name HG2# ) 4.0 2.2 1.5 ! A.513 at 8.96e+06 ! T97 assign (resid 97 and name HA ) (resid 97 and name HG2# ) 3.5 1.2 1.0 ! A.345 at 1.04e+07 ! G98 ! R99 assign (resid 99 and name HD# ) (resid 99 and name HH1# ) 3.5 1.2 1.5 ! A.628 at 1.04e+07 assign (resid 99 and name HD# ) (resid 99 and name HH2# ) 4.0 2.2 2.0 ! A.629 at 9.07e+06 assign (resid 99 and name HD# ) (resid 99 and name HN ) 4.5 2.2 2.5 ! A.630 at 5.07e+06 assign (resid 99 and name HD# ) (resid 100 and name HN ) 4.5 2.2 2.5 ! A.631 at 4.19e+06 ! A100 ! G101 ! N102 assign (resid 102 and name HB# ) (resid 103 and name HA ) 4.0 2.2 1.5 ! A.575 at 7.65e+06 assign (resid 102 and name HB1 ) (resid 103 and name HB2 ) 3.5 1.2 0.9 ! A.251 at 1.08e+07 ! Q103 assign (resid 103 and name HA ) (resid 103 and name HG# ) 4.0 2.2 1.5 ! A.219 at 9.34e+06 assign (resid 103 and name HA ) (resid 103 and name HG1 ) 2.5 0.7 0.4 ! A.220 at 2.03e+07 assign (resid 103 and name HG2 ) (resid 104 and name HA ) 3.5 1.2 0.5 ! A.574 at 1.01e+07 assign (resid 103 and name HB1 ) (resid 104 and name HA ) 3.5 1.2 0.5 ! A.245 at 1.19e+07 assign (resid 103 and name HA ) (resid 106 and name HA1 ) 3.5 1.2 0.5 ! A.49 at 1.32e+07 ! K104 assign (resid 104 and name HG# ) (resid 104 and name HE# ) 3.5 1.2 1.5 ! A.706 at 1.59e+07 assign (resid 104 and name HA ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.573 at 9.79e+06 assign (resid 104 and name HG2 ) (resid 105 and name HA1 ) 2.5 0.7 0.4 ! A.331 at 2.15e+07 ! G105 ! G106 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: c3g_noesyC.PCK ! Date: Tue Aug 31 14:54:32 EDT 2004 ! Path: /home/fengh/My_xplor/Gd7_c3g ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c3g_noesyC.PCK 105 61 9 23 12 ! Total 105 61 9 23 12 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! A1 ! D2 ! L3 assign (resid 3 and name HD2# ) (resid 3 and name HB1 ) 4.0 2.2 1.5 ! A.618 at 2.12e+05 ! E4 ! D5 ! N6 ! D7 ! E8 ! T9 ! G10 ! N11 ! D12 ! N13 ! G14 ! K15 ! G16 ! G17 ! E18 ! K19 ! A20 ! D21 ! N22 assign (resid 22 and name HB1 ) (resid 22 and name HD21 ) 4.0 2.2 1.0 ! A.44 at 2.51e+05 assign (resid 22 and name HD21 ) (resid 84 and name HA ) 3.5 1.2 0.5 ! A.43 at 3.76e+05 ! A23 ! A24 ! Q25 ! V26 assign (resid 26 and name HA ) (resid 26 and name HG1# ) 2.5 0.7 0.9 ! A.780 at 3.64e+06 assign (resid 26 and name HG2# ) (resid 84 and name HG1# ) 4.5 2.2 3.0 ! A.764 at 8.80e+07 ! K27 assign (resid 27 and name HD# ) (resid 27 and name HA ) 3.5 1.2 1.0 ! A.307 at 4.78e+05 assign (resid 27 and name HA ) (resid 30 and name HD2# ) 3.5 1.2 1.0 ! A.860 at 5.17e+05 ! D28 ! A29 ! L30 assign (resid 30 and name HD2# ) (resid 72 and name HA ) 2.5 0.7 0.9 ! A.346 at 7.09e+05 ! T31 assign (resid 31 and name HA ) (resid 31 and name HG2# ) 2.5 0.7 0.9 ! A.734 at 4.02e+06 assign (resid 31 and name HB ) (resid 34 and name HD1 ) 4.0 2.2 1.0 ! A.304 at 2.45e+05 ! K32 assign (resid 32 and name HA ) (resid 32 and name HZ# ) 4.0 2.2 1.5 ! A.119 at 2.26e+05 assign (resid 32 and name HD1 ) (resid 32 and name HZ# ) 3.5 1.2 1.0 ! A.120 at 3.70e+05 assign (resid 32 and name HG1 ) (resid 32 and name HZ# ) 2.5 0.7 0.9 ! A.121 at 7.52e+05 ! M33 ! R34 assign (resid 34 and name HE ) (resid 34 and name HB# ) 4.0 2.2 1.5 ! A.536 at 2.56e+05 assign (resid 34 and name HA ) (resid 34 and name HD1 ) 4.0 2.2 1.0 ! A.378 at 3.48e+05 assign (resid 34 and name HA ) (resid 34 and name HD2 ) 4.0 2.2 1.0 ! A.425 at 2.63e+05 assign (resid 34 and name HD1 ) (resid 34 and name HB# ) 3.5 1.2 1.0 ! A.538 at 4.60e+05 assign (resid 34 and name HE ) (resid 38 and name HD1# ) 3.5 1.2 1.0 ! A.823 at 5.27e+05 assign (resid 34 and name HE ) (resid 69 and name HG1# ) 3.5 1.2 1.0 ! A.741 at 3.84e+05 assign (resid 34 and name HD2 ) (resid 69 and name HG1# ) 3.5 1.2 1.0 ! A.750 at 4.94e+05 ! A35 ! A36 ! A37 ! L38 assign (resid 38 and name HA ) (resid 38 and name HG ) 4.0 2.2 1.0 ! A.607 at 3.34e+05 assign (resid 38 and name HD2# ) (resid 61 and name HE2 ) 4.0 2.2 1.5 ! A.42 at 2.19e+05 assign (resid 38 and name HD2# ) (resid 65 and name HD2 ) 4.0 2.2 1.5 ! A.143 at 1.60e+05 ! D39 ! A40 ! Q41 ! K42 assign (resid 42 and name HG1 ) (resid 61 and name HZ ) 4.0 2.2 1.0 ! A.687 at 1.97e+05 assign (resid 42 and name HG1 ) (resid 61 and name HE1 ) 3.5 1.2 0.5 ! A.41 at 3.72e+05 ! A43 ! T44 ! P45 ! P46 ! K47 ! L48 ! E49 assign (resid 49 and name HA ) (resid 50 and name HB2 ) 4.0 2.2 1.0 ! A.435 at 3.23e+05 ! D50 ! K51 assign (resid 51 and name HA ) (resid 51 and name HD# ) 3.5 0.7 0.9 ! A.639 at 8.05e+05 assign (resid 51 and name HA ) (resid 52 and name HB1 ) 4.0 2.2 1.0 ! A.236 at 1.55e+05 assign (resid 51 and name HA ) (resid 54 and name HB1 ) 2.5 0.7 0.4 ! A.432 at 9.57e+05 ! S52 ! P53 assign (resid 53 and name HA ) (resid 53 and name HD1 ) 3.5 1.2 0.5 ! A.299 at 4.66e+05 assign (resid 53 and name HD1 ) (resid 53 and name HB1 ) 4.0 2.2 1.0 ! A.479 at 1.98e+05 ! D54 assign (resid 54 and name HA ) (resid 55 and name HA ) 4.0 2.2 1.0 ! A.168 at 2.22e+05 ! S55 ! P56 assign (resid 56 and name HA ) (resid 56 and name HG1 ) 2.5 0.7 0.4 ! A.476 at 8.15e+05 assign (resid 56 and name HB1 ) (resid 104 and name HE1 ) 2.5 0.7 0.4 ! A.459 at 1.70e+06 ! E57 assign (resid 57 and name HA ) (resid 57 and name HG# ) 2.5 0.7 0.9 ! A.451 at 1.53e+06 ! M58 assign (resid 58 and name HA ) (resid 61 and name HE1 ) 4.0 2.2 1.0 ! A.172 at 2.13e+05 assign (resid 58 and name HA ) (resid 61 and name HD1 ) 4.0 2.2 1.0 ! A.173 at 2.28e+05 ! K59 assign (resid 59 and name HE1 ) (resid 59 and name HG1 ) 3.5 0.7 0.5 ! A.722 at 9.44e+05 ! D60 ! F61 assign (resid 61 and name HE1 ) (resid 61 and name HB1 ) 4.0 2.2 1.0 ! A.359 at 1.88e+05 assign (resid 61 and name HD1 ) (resid 61 and name HB1 ) 2.5 0.7 0.4 ! A.355 at 7.79e+05 assign (resid 61 and name HD2 ) (resid 61 and name HB2 ) 2.5 0.7 0.4 ! A.355 at 7.79e+05 assign (resid 61 and name HA ) (resid 61 and name HD2 ) 2.5 0.7 0.4 ! A.95 at 1.29e+06 assign (resid 61 and name HA ) (resid 61 and name HE2 ) 4.0 2.2 1.0 ! A.48 at 3.15e+05 assign (resid 61 and name HD2 ) (resid 65 and name HD1 ) 4.0 2.2 1.0 ! A.83 at 2.81e+05 assign (resid 61 and name HZ ) (resid 65 and name HD1 ) 4.0 2.2 1.0 ! A.72 at 1.75e+05 assign (resid 61 and name HD2 ) (resid 65 and name HE1 ) 4.0 2.2 1.0 ! A.94 at 3.33e+05 assign (resid 61 and name HB2 ) (resid 65 and name HD1 ) 4.0 2.2 1.5 ! A.130 at 1.70e+05 assign (resid 61 and name HE2 ) (resid 65 and name HD2 ) 4.0 2.2 1.0 ! A.34 at 3.14e+05 assign (resid 61 and name HD2 ) (resid 65 and name HB1 ) 4.0 2.2 1.0 ! A.88 at 2.41e+05 ! R62 assign (resid 62 and name HE ) (resid 62 and name HH1# ) 4.0 2.2 1.5 ! A.113 at 3.20e+05 assign (resid 62 and name HA ) (resid 62 and name HD2 ) 3.5 1.2 0.5 ! A.368 at 5.44e+05 assign (resid 62 and name HA ) (resid 62 and name HD1 ) 3.5 1.2 0.5 ! A.361 at 4.85e+05 assign (resid 62 and name HA ) (resid 62 and name HG1 ) 3.5 0.7 0.5 ! A.485 at 7.17e+05 assign (resid 62 and name HB# ) (resid 62 and name HD1 ) 2.5 0.7 0.9 ! A.364 at 5.84e+05 assign (resid 62 and name HG2 ) (resid 62 and name HE ) 4.0 2.2 1.0 ! A.52 at 2.22e+05 assign (resid 62 and name HA ) (resid 65 and name HD1 ) 2.5 0.7 0.4 ! A.129 at 8.87e+05 ! H63 assign (resid 63 and name HA ) (resid 63 and name HD2 ) 3.5 1.2 0.5 ! A.76 at 4.47e+05 assign (resid 63 and name HD2 ) (resid 67 and name HG11 ) 4.0 2.2 1.0 ! A.79 at 2.38e+05 ! G64 ! F65 assign (resid 65 and name HD2 ) (resid 65 and name HZ ) 4.0 2.2 1.0 ! A.116 at 3.23e+05 assign (resid 65 and name HD1 ) (resid 65 and name HB2 ) 4.0 2.2 1.0 ! A.410 at 1.98e+05 assign (resid 65 and name HA ) (resid 65 and name HD2 ) 3.5 1.0 0.5 ! A.128 at 1.20e+05 assign (resid 65 and name HD2 ) (resid 69 and name HG1# ) 4.0 2.2 1.5 ! A.744 at 1.75e+05 assign (resid 65 and name HE2 ) (resid 69 and name HG1# ) 4.0 2.2 1.5 ! A.745 at 3.31e+05 assign (resid 65 and name HD2 ) (resid 69 and name HB ) 3.5 0.7 0.5 ! A.137 at 6.74e+05 ! D66 assign (resid 66 and name HA ) (resid 67 and name HG11 ) 4.0 2.2 1.0 ! A.740 at 2.45e+05 assign (resid 66 and name HA ) (resid 69 and name HG1# ) 2.5 0.7 0.9 ! A.746 at 5.72e+05 ! I67 assign (resid 67 and name HA ) (resid 67 and name HG2# ) 2.5 0.7 0.9 ! A.858 at 1.29e+06 assign (resid 67 and name HA ) (resid 67 and name HG12 ) 2.5 0.7 0.4 ! A.807 at 1.10e+06 assign (resid 67 and name HG11 ) (resid 67 and name HA ) 2.5 0.7 0.4 ! A.330 at 5.62e+05 assign (resid 67 and name HA ) (resid 70 and name HA# ) 4.0 2.2 1.5 ! A.281 at 3.47e+05 ! L68 assign (resid 68 and name HA ) (resid 68 and name HD2# ) 2.5 0.7 0.9 ! A.856 at 1.84e+06 ! V69 assign (resid 69 and name HA ) (resid 69 and name HG2# ) 2.5 0.7 0.9 ! A.853 at 6.27e+05 assign (resid 69 and name HA ) (resid 69 and name HG1# ) 2.5 0.7 0.9 ! A.748 at 7.65e+05 ! G70 ! Q71 ! I72 assign (resid 72 and name HA ) (resid 72 and name HG11 ) 3.5 1.2 0.5 ! A.657 at 4.57e+05 assign (resid 72 and name HA ) (resid 72 and name HG2# ) 2.5 0.7 0.9 ! A.768 at 9.77e+05 ! D73 ! D74 ! A75 ! L76 assign (resid 76 and name HG ) (resid 76 and name HA ) 4.0 2.2 1.0 ! A.288 at 3.27e+05 assign (resid 76 and name HD2# ) (resid 76 and name HA ) 2.5 0.7 0.9 ! A.292 at 6.59e+05 assign (resid 76 and name HD2# ) (resid 76 and name HB1 ) 2.5 0.7 0.9 ! A.549 at 1.16e+06 assign (resid 76 and name HA ) (resid 79 and name HA ) 4.0 2.2 1.0 ! A.334 at 2.08e+05 ! K77 ! L78 assign (resid 78 and name HB1 ) (resid 79 and name HA ) 4.0 2.2 1.0 ! A.589 at 2.56e+05 assign (resid 78 and name HD1# ) (resid 79 and name HA ) 3.5 1.2 1.0 ! A.841 at 4.21e+05 assign (resid 78 and name HD1# ) (resid 82 and name HA2 ) 2.5 0.7 0.9 ! A.328 at 1.27e+06 ! A79 assign (resid 79 and name HA ) (resid 82 and name HA2 ) 4.0 2.2 1.0 ! A.327 at 3.10e+05 assign (resid 79 and name HA ) (resid 84 and name HA ) 3.5 1.2 0.5 ! A.374 at 5.27e+05 assign (resid 79 and name HA ) (resid 87 and name HB# ) 2.5 0.7 0.9 ! A.337 at 6.29e+05 ! N80 assign (resid 80 and name HA ) (resid 80 and name HD21 ) 3.5 1.2 0.5 ! A.58 at 3.65e+05 ! E81 ! G82 ! K83 assign (resid 83 and name HA ) (resid 83 and name HD1 ) 4.0 2.2 1.0 ! A.628 at 3.12e+05 assign (resid 83 and name HD1 ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.629 at 1.35e+05 ! V84 assign (resid 84 and name HA ) (resid 84 and name HG1# ) 2.5 0.7 0.9 ! A.760 at 1.75e+06 assign (resid 84 and name HA ) (resid 84 and name HG2# ) 2.5 0.7 0.9 ! A.821 at 1.24e+06 assign (resid 84 and name HA ) (resid 85 and name HA ) 4.0 2.2 1.0 ! A.373 at 2.59e+05 assign (resid 84 and name HA ) (resid 87 and name HB# ) 2.5 0.7 0.9 ! A.679 at 1.08e+06 ! K85 ! E86 ! A87 ! Q88 assign (resid 88 and name HE22 ) (resid 89 and name HB# ) 4.0 2.2 1.5 ! A.672 at 3.21e+05 ! A89 ! A90 ! A91 ! E92 ! Q93 ! L94 ! K95 ! T96 ! T97 ! G98 ! R99 assign (resid 99 and name HE ) (resid 99 and name HH2# ) 2.5 0.7 0.9 ! A.165 at 2.41e+06 assign (resid 99 and name HA ) (resid 99 and name HE ) 4.0 2.2 1.0 ! A.110 at 2.20e+05 ! A100 ! G101 ! N102 ! Q103 ! K104 ! G105 ! G106
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