NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
537946 | 2loe | 18210 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
!@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A new.pck 525 32 291 70 132 ! Total 525 32 291 70 132 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! !assign (resid 1 and name HA ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.1 at 2.66e+06 assign (resid 1 and name HB# ) (resid 2 and name HN ) 2.5 0.7 2.5 ! A.3 at 3.46e+05 assign (resid 1 and name HG# ) (resid 2 and name HN ) 2.5 0.7 2.5 ! A.4 at 1.78e+05 assign (resid 2 and name HE# ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.5 at 6.70e+04 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.8 at 1.72e+06 assign (resid 2 and name HB# ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.108 at 7.89e+04 assign (resid 3 and name HG2# ) (resid 4 and name HN ) 2.5 0.7 3.0 ! A.14 at 2.52e+05 assign (resid 3 and name HG1# ) (resid 4 and name HN ) 2.5 0.7 1.5 ! A.13 at 8.02e+05 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.5 0.7 0.4 ! A.12 at 1.96e+06 assign (resid 3 and name HN ) (resid 15 and name HG2# ) 2.5 0.7 3.0 ! A.9 at 1.13e+05 assign (resid 3 and name HN ) (resid 16 and name HA ) 2.5 0.7 2.5 ! A.7 at 3.38e+05 assign (resid 3 and name HN ) (resid 17 and name HN ) 2.5 0.7 2.5 ! A.6 at 2.67e+05 assign (resid 3 and name HB ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.107 at 8.90e+04 assign (resid 4 and name HN ) (resid 5 and name HN ) 2.5 0.7 3.5 ! A.10 at 9.69e+04 assign (resid 4 and name HB# ) (resid 5 and name HN ) 2.5 0.7 2.5 ! A.24 at 1.37e+05 assign (resid 4 and name HD# ) (resid 5 and name HN ) 2.5 0.7 2.5 ! A.22 at 1.04e+05 assign (resid 4 and name HE# ) (resid 5 and name HN ) 2.5 0.7 3.5 ! A.20 at 7.55e+04 assign (resid 4 and name HA ) (resid 17 and name HN ) 2.5 0.7 2.5 ! A.104 at 2.10e+05 assign (resid 4 and name HN ) (resid 48 and name HA ) 2.5 0.7 2.5 ! A.11 at 2.05e+05 assign (resid 5 and name HN ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.27 at 4.60e+04 assign (resid 5 and name HA# ) (resid 6 and name HN ) 2.5 0.7 2.5 ! A.31 at 4.81e+05 assign (resid 5 and name HN ) (resid 17 and name HN ) 2.5 0.7 2.5 ! A.100 at 3.85e+05 assign (resid 5 and name HN ) (resid 17 and name HB# ) 2.5 0.7 3.5 ! A.18 at 6.40e+04 assign (resid 5 and name HN ) (resid 40 and name HG* ) 2.5 0.7 3.0 ! A.19 at 2.65e+05 assign (resid 5 and name HA# ) (resid 49 and name HN ) 2.5 0.7 2.5 ! A.320 at -2.25e+05 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 1.0 ! A.35 at 5.93e+05 assign (resid 6 and name HB# ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.37 at 5.11e+04 assign (resid 6 and name HA ) (resid 18 and name HN ) 2.5 0.7 2.5 ! A.112 at 2.12e+05 assign (resid 6 and name HN ) (resid 40 and name HG* ) 2.5 0.7 3.0 ! A.28 at 1.01e+05 assign (resid 6 and name HN ) (resid 49 and name HN ) 2.5 0.7 3.5 ! A.321 at -7.75e+04 assign (resid 6 and name HN ) (resid 50 and name HA ) 2.5 0.7 2.5 ! A.30 at 3.41e+05 assign (resid 6 and name HN ) (resid 50 and name HB# ) 2.5 0.7 2.5 ! A.29 at 1.34e+05 assign (resid 6 and name HN ) (resid 51 and name HN ) 2.5 0.7 3.5 ! A.26 at 9.77e+04 assign (resid 7 and name HB# ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.41 at 4.87e+04 assign (resid 7 and name HB# ) (resid 10 and name HN ) 2.5 0.7 2.5 ! A.58 at 1.08e+05 !assign (resid 7 and name HN ) (resid 17 and name HB# ) 2.5 0.7 3.5 ! A.36 at 7.88e+04 assign (resid 7 and name HN ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.33 at 5.08e+04 assign (resid 7 and name HN ) (resid 20 and name HN ) 2.5 0.7 3.5 ! A.128 at 7.14e+04 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.5 0.7 2.5 ! A.38 at 3.36e+05 assign (resid 8 and name HB# ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.48 at 6.24e+04 assign (resid 8 and name HN ) (resid 10 and name HN ) 2.5 0.7 2.5 ! A.40 at 1.17e+05 assign (resid 8 and name HA ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.56 at 6.90e+04 assign (resid 8 and name HN ) (resid 51 and name HB# ) 2.5 0.7 2.5 ! A.42 at 1.81e+05 assign (resid 8 and name HN ) (resid 51 and name HN ) 2.5 0.7 2.5 ! A.39 at 1.56e+05 assign (resid 9 and name HB ) (resid 9 and name HN ) 2.5 0.7 2.5 ! A.47 at 1.19e+05 assign (resid 9 and name HN ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.51 at 1.34e+06 assign (resid 9 and name HN ) (resid 20 and name HN ) 2.5 0.7 3.5 ! A.129 at 4.98e+04 assign (resid 9 and name HN ) (resid 51 and name HB# ) 2.5 0.7 3.5 ! A.50 at 4.38e+04 assign (resid 9 and name HG2# ) (resid 54 and name HN ) 2.5 0.7 4.0 ! A.356 at 1.93e+05 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.5 0.7 2.5 ! A.53 at 3.69e+05 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.65 at 1.84e+06 assign (resid 10 and name HG2# ) (resid 11 and name HN ) 2.5 0.7 3.0 ! A.64 at 2.16e+05 assign (resid 10 and name HG2# ) (resid 12 and name HN ) 2.5 0.7 3.0 ! A.72 at 5.31e+05 !assign (resid 10 and name HN ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.54 at 5.65e+04 assign (resid 10 and name HG2# ) (resid 13 and name HN ) 2.5 0.7 3.0 ! A.76 at 3.08e+05 assign (resid 10 and name HG2# ) (resid 14 and name HN ) 2.5 0.7 4.0 ! A.85 at 1.82e+05 assign (resid 10 and name HN ) (resid 19 and name HA# ) 2.5 0.7 4.5 ! A.57 at 9.48e+04 assign (resid 10 and name HN ) (resid 20 and name HN ) 2.5 0.7 2.5 ! A.131 at 2.20e+05 assign (resid 11 and name HN ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.67 at 1.19e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.5 0.7 2.5 ! A.71 at 2.54e+05 assign (resid 11 and name HB# ) (resid 12 and name HN ) 2.5 0.7 2.5 ! A.70 at 1.39e+05 assign (resid 11 and name HA ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.123 at 1.04e+05 assign (resid 11 and name HA ) (resid 20 and name HN ) 2.5 0.7 2.5 ! A.136 at 2.18e+05 assign (resid 11 and name HN ) (resid 21 and name HB# ) 2.5 0.7 3.5 ! A.66 at 9.07e+04 assign (resid 11 and name HB# ) (resid 21 and name HN ) 2.5 0.7 2.5 ! A.141 at 1.68e+05 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.5 0.7 2.5 ! A.68 at 2.58e+05 assign (resid 12 and name HB# ) (resid 13 and name HN ) 2.5 0.7 2.5 ! A.77 at 1.15e+05 assign (resid 12 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.75 at 1.20e+06 assign (resid 12 and name HG# ) (resid 13 and name HN ) 2.5 0.7 2.5 ! A.79 at 1.01e+05 assign (resid 13 and name HB# ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.84 at 8.40e+04 assign (resid 13 and name HA ) (resid 14 and name HN ) 2.5 0.7 1.0 ! A.83 at 8.57e+05 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.74 at 9.54e+04 assign (resid 13 and name HN ) (resid 16 and name HB# ) 2.5 0.7 3.5 ! A.80 at 5.20e+04 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 1.0 ! A.87 at 7.79e+05 assign (resid 14 and name HN ) (resid 15 and name HG1# ) 2.5 0.7 3.5 ! A.86 at 4.80e+04 assign (resid 14 and name HN ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.82 at 7.47e+04 assign (resid 15 and name HN ) (resid 16 and name HB# ) 2.5 0.7 3.5 ! A.89 at 7.01e+04 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 1.0 ! A.88 at 7.16e+05 assign (resid 15 and name HG2# ) (resid 16 and name HN ) 2.5 0.7 3.0 ! A.96 at 1.25e+05 assign (resid 15 and name HG1# ) (resid 16 and name HN ) 2.5 0.7 2.5 ! A.98 at 1.13e+05 assign (resid 15 and name HB ) (resid 16 and name HN ) 2.5 0.7 2.5 ! A.97 at 4.69e+05 assign (resid 16 and name HD# ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.93 at 9.32e+04 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.5 0.7 1.0 ! A.103 at 9.67e+05 assign (resid 16 and name HB# ) (resid 17 and name HN ) 2.5 0.7 2.5 ! A.105 at 3.68e+05 assign (resid 16 and name HB# ) (resid 18 and name HN ) 2.5 0.7 2.5 ! A.117 at 2.00e+05 assign (resid 16 and name HA ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.111 at 9.81e+04 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 2.5 ! A.110 at 5.33e+05 assign (resid 17 and name HB# ) (resid 18 and name HN ) 2.5 0.7 2.5 ! A.113 at 1.53e+05 assign (resid 17 and name HA ) (resid 18 and name HN ) 2.5 0.7 2.5 ! A.114 at 2.39e+05 assign (resid 18 and name HD# ) (resid 18 and name HN ) 2.5 0.7 2.5 ! A.119 at 1.11e+05 assign (resid 18 and name HA ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.121 at 1.36e+06 assign (resid 18 and name HB# ) (resid 19 and name HN ) 2.5 0.7 2.5 ! A.127 at 2.40e+05 assign (resid 18 and name HD# ) (resid 19 and name HN ) 2.5 0.7 2.5 ! A.125 at 1.14e+05 assign (resid 18 and name HG# ) (resid 19 and name HN ) 2.5 0.7 2.5 ! A.126 at 2.88e+05 assign (resid 19 and name HA# ) (resid 19 and name HN ) 2.5 0.7 2.5 ! A.120 at 4.01e+05 assign (resid 19 and name HA# ) (resid 20 and name HN ) 2.5 0.7 1.0 ! A.135 at 8.94e+05 assign (resid 20 and name HE# ) (resid 20 and name HN ) 2.5 0.7 2.5 ! A.134 at 1.22e+05 assign (resid 20 and name HD# ) (resid 20 and name HN ) 2.5 0.7 2.5 ! A.133 at 1.20e+05 assign (resid 20 and name HN ) (resid 21 and name HN ) 2.5 0.7 2.5 ! A.130 at 1.27e+05 assign (resid 20 and name HB# ) (resid 21 and name HN ) 2.5 0.7 2.5 ! A.142 at 3.28e+05 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.140 at 1.68e+06 assign (resid 20 and name HN ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.137 at 8.63e+04 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.4 ! A.150 at 1.62e+06 assign (resid 21 and name HB# ) (resid 23 and name HN ) 2.5 0.7 2.5 ! A.155 at 1.48e+05 assign (resid 21 and name HA ) (resid 24 and name HN ) 2.5 0.7 2.5 ! A.166 at 3.19e+05 assign (resid 21 and name HB# ) (resid 24 and name HN ) 2.5 0.7 2.5 ! A.167 at 1.39e+05 assign (resid 21 and name HN ) (resid 24 and name HN ) 2.5 0.7 3.5 ! A.162 at 9.00e+04 assign (resid 21 and name HN ) (resid 24 and name HB# ) 2.5 0.7 3.5 ! A.145 at 8.79e+04 assign (resid 21 and name HN ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.146 at 5.08e+04 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.5 0.7 1.0 ! A.147 at 5.31e+05 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 2.5 ! A.156 at 5.19e+05 assign (resid 22 and name HG2# ) (resid 23 and name HN ) 2.5 0.7 3.0 ! A.157 at 5.23e+05 assign (resid 22 and name HB ) (resid 23 and name HN ) 2.5 0.7 2.5 ! A.161 at 2.87e+05 assign (resid 22 and name HG1# ) (resid 23 and name HN ) 2.5 0.7 2.5 ! A.159 at 1.46e+05 assign (resid 22 and name HN ) (resid 24 and name HN ) 2.5 0.7 2.5 ! A.148 at 6.62e+04 assign (resid 22 and name HA ) (resid 25 and name HN ) 2.5 0.7 2.5 ! A.177 at 6.71e+05 assign (resid 23 and name HN ) (resid 24 and name HN ) 2.5 0.7 1.0 ! A.152 at 7.30e+05 assign (resid 23 and name HN ) (resid 24 and name HB# ) 2.5 0.7 2.5 ! A.160 at 1.25e+05 assign (resid 23 and name HB# ) (resid 24 and name HN ) 2.5 0.7 2.5 ! A.170 at 4.86e+05 assign (resid 23 and name HN ) (resid 25 and name HN ) 2.5 0.7 2.5 ! A.153 at 1.18e+05 assign (resid 23 and name HA ) (resid 26 and name HN ) 2.5 0.7 1.0 ! A.184 at 1.71e+05 assign (resid 24 and name HN ) (resid 25 and name HG2# ) 2.5 0.7 3.0 ! A.171 at 1.45e+05 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.5 0.7 1.0 ! A.165 at 7.76e+05 assign (resid 24 and name HA ) (resid 25 and name HN ) 2.5 0.7 2.5 ! A.176 at 3.54e+05 assign (resid 24 and name HB# ) (resid 25 and name HN ) 2.5 0.7 2.5 ! A.181 at 1.46e+05 !assign (resid 24 and name HN ) (resid 32 and name HN ) 2.5 0.7 1.0 ! A.164 at 6.93e+05 assign (resid 25 and name HG2# ) (resid 25 and name HN ) 2.5 0.7 1.5 ! A.178 at 7.49e+05 assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 1.0 ! A.185 at 7.72e+05 assign (resid 25 and name HN ) (resid 26 and name HN ) 2.5 0.7 1.0 assign (resid 25 and name HG1# ) (resid 26 and name HN ) 2.5 0.7 2.5 ! A.187 at 3.97e+05 assign (resid 25 and name HG2# ) (resid 26 and name HN ) 2.5 0.7 3.0 ! A.186 at 2.20e+05 assign (resid 26 and name HN ) (resid 27 and name HN ) 2.5 0.7 2.5 ! A.188 at 2.92e+05 assign (resid 26 and name HB# ) (resid 27 and name HN ) 2.5 0.7 2.5 ! A.189 at 2.28e+05 assign (resid 26 and name HB# ) (resid 28 and name HN ) 2.5 0.7 3.5 ! A.193 at 8.35e+04 !assign (resid 26 and name HB# ) (resid 29 and name HN ) 2.5 0.7 2.5 ! A.199 at 4.70e+05 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.5 0.7 1.0 ! A.191 at 1.07e+06 assign (resid 27 and name HB# ) (resid 28 and name HN ) 2.5 0.7 2.5 ! A.194 at 2.39e+05 !assign (resid 27 and name HB# ) (resid 29 and name HN ) 2.5 0.7 3.5 ! A.200 at 6.26e+04 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 2.5 ! A.190 at 3.44e+05 assign (resid 28 and name HD# ) (resid 29 and name HN ) 2.5 0.7 3.5 ! A.203 at 9.19e+04 assign (resid 28 and name HB# ) (resid 29 and name HN ) 2.5 0.7 2.5 ! A.202 at 1.80e+05 assign (resid 28 and name HA ) (resid 29 and name HN ) 2.5 0.7 1.0 ! A.198 at 7.89e+05 assign (resid 29 and name HA ) (resid 30 and name HN ) 2.5 0.7 1.0 ! A.205 at 7.32e+05 !assign (resid 29 and name HB# ) (resid 31 and name HN ) 2.5 0.7 2.5 ! A.207 at 2.23e+05 !assign (resid 29 and name HB# ) (resid 32 and name HN ) 2.5 0.7 3.5 ! A.208 at 8.68e+04 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.5 0.7 1.0 ! A.206 at 7.35e+05 assign (resid 30 and name HA ) (resid 32 and name HN ) 2.5 0.7 3.5 ! A.209 at 7.82e+04 !assign (resid 32 and name HA ) (resid 34 and name HN ) 2.5 0.7 2.5 ! A.213 at 2.80e+05 !assign (resid 32 and name HB# ) (resid 34 and name HN ) 2.5 0.7 3.5 ! A.217 at 5.21e+04 assign (resid 33 and name HN ) (resid 34 and name HN ) 2.5 0.7 2.5 ! A.212 at 6.28e+05 !assign (resid 33 and name HA ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.214 at 1.08e+06 assign (resid 34 and name HB# ) (resid 35 and name HN ) 2.5 0.7 2.5 ! A.222 at 3.33e+05 assign (resid 34 and name HA ) (resid 35 and name HN ) 2.5 0.7 1.5 ! A.220 at 2.58e+06 assign (resid 34 and name HN ) (resid 119 and name HE# ) 2.5 0.7 3.5 ! A.215 at 6.93e+04 assign (resid 34 and name HN ) (resid 119 and name HD# ) 2.5 0.7 3.5 ! A.218 at 6.30e+04 assign (resid 34 and name HN ) (resid 120 and name HE# ) 2.5 0.7 3.5 ! A.216 at 5.75e+04 assign (resid 35 and name HA ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.225 at 1.21e+06 !assign (resid 35 and name HB# ) (resid 36 and name HN ) 2.5 0.7 1.0 ! A.227 at 5.87e+05 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.5 0.7 2.5 ! A.219 at 1.27e+05 assign (resid 36 and name HG2# ) (resid 37 and name HN ) 2.5 0.7 3.0 ! A.233 at 4.51e+05 assign (resid 36 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.232 at 2.35e+06 assign (resid 36 and name HG1# ) (resid 37 and name HN ) 2.5 0.7 3.5 ! A.235 at 8.96e+04 assign (resid 36 and name HN ) (resid 37 and name HG2# ) 2.5 0.7 3.0 ! A.226 at 2.48e+05 assign (resid 36 and name HN ) (resid 121 and name HA ) 2.5 0.7 2.5 ! A.224 at 3.07e+05 assign (resid 36 and name HN ) (resid 122 and name HN ) 2.5 0.7 2.5 ! A.715 at 1.40e+05 assign (resid 37 and name HG2# ) (resid 37 and name HN ) 2.5 0.7 1.5 ! A.234 at 9.33e+05 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 2.5 ! A.238 at 1.43e+05 assign (resid 37 and name HG1# ) (resid 38 and name HN ) 2.5 0.7 1.5 ! A.242 at 7.86e+05 assign (resid 37 and name HB ) (resid 38 and name HN ) 2.5 0.7 2.5 ! A.245 at 1.12e+05 assign (resid 38 and name HN ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.246 at 9.38e+04 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.248 at 1.41e+06 assign (resid 38 and name HB# ) (resid 39 and name HN ) 2.5 0.7 2.5 ! A.249 at 1.48e+05 assign (resid 38 and name HN ) (resid 122 and name HN ) 2.5 0.7 2.5 ! A.236 at 1.58e+05 assign (resid 38 and name HN ) (resid 122 and name HB ) 2.5 0.7 2.5 ! A.244 at 3.24e+05 assign (resid 38 and name HN ) (resid 8 and name HZ ) 2.5 0.7 3.5 ! A.239 at 9.21e+04 assign (resid 38 and name HN ) (resid 123 and name HA ) 2.5 0.7 2.5 ! A.241 at 1.64e+05 assign (resid 38 and name HN ) (resid 124 and name HN ) 2.5 0.7 2.5 ! A.237 at 1.18e+05 assign (resid 38 and name HB# ) (resid 124 and name HN ) 2.5 0.7 3.5 ! A.735 at 9.58e+04 assign (resid 39 and name HB ) (resid 40 and name HN ) 2.5 0.7 2.5 ! A.254 at 2.57e+05 assign (resid 39 and name HA ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.252 at 1.55e+06 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.5 0.7 2.5 ! A.247 at 1.25e+05 assign (resid 39 and name HA ) (resid 124 and name HN ) 2.5 0.7 2.5 ! A.734 at 3.11e+05 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.258 at 2.35e+06 assign (resid 40 and name HG* ) (resid 41 and name HN ) 2.5 0.7 1.5 ! A.259 at 5.99e+05 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 0.7 2.5 ! A.230 at 1.18e+05 assign (resid 40 and name HN ) (resid 124 and name HN ) 2.5 0.7 2.5 ! A.251 at 1.01e+05 assign (resid 40 and name HN ) (resid 125 and name HA ) 2.5 0.7 2.5 ! A.253 at 4.08e+05 assign (resid 40 and name HN ) (resid 125 and name HB ) 2.5 0.7 3.5 ! A.257 at 6.03e+04 assign (resid 40 and name HN ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.256 at 8.70e+04 assign (resid 40 and name HN ) (resid 126 and name HN ) 2.5 0.7 2.5 ! A.250 at 3.30e+05 assign (resid 41 and name HA ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.262 at 2.06e+06 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 2.5 ! A.231 at 1.45e+05 assign (resid 42 and name HB# ) (resid 43 and name HN ) 2.5 0.7 1.5 ! A.274 at 6.21e+05 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.266 at 1.66e+06 assign (resid 42 and name HN ) (resid 125 and name HG* ) 2.5 0.7 3.0 ! A.263 at 1.11e+05 assign (resid 42 and name HN ) (resid 126 and name HN ) 2.5 0.7 2.5 ! A.260 at 3.30e+05 assign (resid 42 and name HB# ) (resid 127 and name HN ) 2.5 0.7 4.0 ! A.755 at 5.79e+04 assign (resid 43 and name HA ) (resid 43 and name HN ) 2.5 0.7 2.5 ! A.575 at 2.27e+05 assign (resid 43 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.277 at 1.42e+06 assign (resid 43 and name HA# ) (resid 44 and name HN ) 2.5 0.7 2.5 ! A.279 at 4.55e+05 assign (resid 43 and name HB# ) (resid 44 and name HN ) 2.5 0.7 1.0 ! A.280 at 7.79e+05 assign (resid 43 and name HD2 ) (resid 44 and name HN ) 2.5 0.7 2.5 ! A.276 at 1.92e+05 !assign (resid 43 and name HN ) (resid 46 and name HN ) 2.5 0.7 2.5 ! A.295 at 1.22e+05 !assign (resid 43 and name HD2 ) (resid 46 and name HN ) 2.5 0.7 2.5 ! A.294 at 5.13e+05 assign (resid 43 and name HB# ) (resid 46 and name HN ) 2.5 0.7 3.5 ! A.300 at 6.55e+04 assign (resid 43 and name HN ) (resid 46 and name HB# ) 2.5 0.7 2.5 ! A.272 at 1.94e+05 !assign (resid 43 and name HD2 ) (resid 107 and name HE1 ) 2.5 0.7 2.5 ! A.640 at 1.35e+05 assign (resid 44 and name HA ) (resid 45 and name HN ) 2.5 0.7 1.5 ! A.286 at 1.72e+06 assign (resid 44 and name HB# ) (resid 45 and name HN ) 2.5 0.7 1.5 ! A.289 at 5.73e+05 assign (resid 44 and name HN ) (resid 45 and name HN ) 2.5 0.7 2.5 ! A.284 at 1.21e+05 assign (resid 44 and name HA ) (resid 46 and name HN ) 2.5 0.7 2.5 ! A.298 at 2.30e+05 assign (resid 44 and name HB# ) (resid 101 and name HN ) 2.5 0.7 4.0 ! A.593 at 5.63e+04 assign (resid 44 and name HB# ) (resid 102 and name HN ) 2.5 0.7 3.0 ! A.602 at 1.31e+05 assign (resid 44 and name HN ) (resid 103 and name HD1# ) 2.5 0.7 3.0 ! A.282 at 3.25e+05 assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 2.5 ! A.299 at 3.87e+05 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.5 0.7 2.5 ! A.283 at 4.47e+05 !assign (resid 45 and name HN ) (resid 99 and name HN ) 2.5 0.7 3.5 ! A.579 at 8.62e+04 assign (resid 45 and name HN ) (resid 99 and name HB# ) 2.5 0.7 2.5 ! A.290 at 3.05e+05 assign (resid 45 and name HN ) (resid 103 and name HG2# ) 2.5 0.7 5.0 ! A.288 at 9.03e+04 assign (resid 45 and name HN ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.287 at 1.09e+05 assign (resid 46 and name HB# ) (resid 47 and name HN ) 2.5 0.7 2.5 ! A.309 at 2.11e+05 !assign (resid 46 and name HA ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.307 at 1.71e+06 assign (resid 46 and name HN ) (resid 99 and name HN ) 2.5 0.7 3.5 ! A.578 at 1.58e+05 assign (resid 46 and name HN ) (resid 99 and name HB# ) 2.5 0.7 2.5 ! A.301 at 6.07e+05 assign (resid 47 and name HN ) (resid 48 and name HN ) 2.5 0.7 2.5 ! A.305 at 1.05e+05 assign (resid 47 and name HN ) (resid 48 and name HG2# ) 2.5 0.7 3.0 ! A.311 at 1.69e+05 assign (resid 47 and name HA ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.316 at 1.37e+06 assign (resid 47 and name HA ) (resid 97 and name HN ) 2.5 0.7 3.5 ! A.571 at 6.64e+04 assign (resid 47 and name HN ) (resid 98 and name HA ) 2.5 0.7 4.5 ! A.308 at 5.54e+04 assign (resid 47 and name HD* ) (resid 98 and name HE ) 2.5 0.7 4.0 ! A.576 at -6.82e+04 assign (resid 47 and name HA ) (resid 99 and name HN ) 2.5 0.7 2.5 ! A.581 at 2.53e+05 assign (resid 48 and name HG1# ) (resid 49 and name HN ) 2.5 0.7 3.5 ! A.328 at -6.43e+04 assign (resid 48 and name HG2# ) (resid 49 and name HN ) 2.5 0.7 3.0 ! A.329 at -5.08e+05 assign (resid 48 and name HA ) (resid 49 and name HN ) 2.5 0.7 1.0 ! A.319 at -8.26e+05 assign (resid 48 and name HB ) (resid 49 and name HN ) 2.5 0.7 1.0 ! A.327 at -6.01e+05 assign (resid 48 and name HN ) (resid 49 and name HN ) 2.5 0.7 3.5 ! A.325 at -6.22e+04 !assign (resid 48 and name HA ) (resid 50 and name HN ) 2.5 0.7 2.5 ! A.334 at 1.10e+05 assign (resid 48 and name HN ) (resid 97 and name HN ) 2.5 0.7 2.5 ! A.312 at 2.58e+05 assign (resid 48 and name HN ) (resid 98 and name HA ) 2.5 0.7 2.5 ! A.315 at 2.30e+05 assign (resid 48 and name HN ) (resid 99 and name HN ) 2.5 0.7 3.5 ! A.577 at 9.60e+04 assign (resid 48 and name HN ) (resid 99 and name HG ) 2.5 0.7 2.5 ! A.317 at 1.12e+05 !assign (resid 48 and name HN ) (resid 99 and name HB# ) 2.5 0.7 2.5 ! A.318 at 1.91e+05 assign (resid 49 and name HA# ) (resid 50 and name HN ) 2.5 0.7 1.0 ! A.337 at 6.62e+05 assign (resid 49 and name HN ) (resid 50 and name HN ) 2.5 0.7 2.5 ! A.330 at 1.17e+05 assign (resid 49 and name HA# ) (resid 97 and name HN ) 2.5 0.7 3.5 ! A.572 at 6.63e+04 assign (resid 50 and name HD# ) (resid 50 and name HN ) 2.5 0.7 3.5 ! A.333 at 9.24e+04 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.5 0.7 1.0 ! A.342 at 6.34e+05 assign (resid 50 and name HB# ) (resid 51 and name HN ) 2.5 0.7 2.5 ! A.343 at 3.74e+05 assign (resid 50 and name HE# ) (resid 95 and name HN ) 2.5 0.7 2.5 ! A.557 at 1.08e+05 assign (resid 50 and name HN ) (resid 95 and name HB# ) 2.5 0.7 2.5 ! A.339 at 1.52e+05 assign (resid 50 and name HN ) (resid 96 and name HA ) 2.5 0.7 2.5 ! A.332 at 2.10e+05 assign (resid 51 and name HD# ) (resid 52 and name HN ) 2.5 0.7 2.5 ! A.351 at 1.40e+05 assign (resid 51 and name HB# ) (resid 52 and name HN ) 2.5 0.7 2.5 ! A.349 at 1.29e+05 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.345 at 1.04e+06 assign (resid 52 and name HN ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.344 at 5.12e+04 assign (resid 52 and name HN ) (resid 93 and name HB# ) 2.5 0.7 2.5 ! A.347 at 2.61e+05 assign (resid 52 and name HB# ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.393 at 9.87e+04 assign (resid 52 and name HB2 ) (resid 93 and name HD2# ) 2.5 0.7 2.5 ! A.394 at 2.11e+05 assign (resid 52 and name HN ) (resid 94 and name HA ) 2.5 0.7 2.5 ! A.346 at 1.15e+05 assign (resid 53 and name HB# ) (resid 54 and name HN ) 2.5 0.7 2.5 ! A.358 at 2.67e+05 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.5 0.7 0.4 ! A.354 at 1.14e+06 assign (resid 53 and name HB# ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.363 at 6.31e+04 assign (resid 53 and name HB# ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.371 at 8.98e+04 assign (resid 54 and name HB# ) (resid 55 and name HN ) 2.5 0.7 2.5 ! A.362 at 1.82e+05 assign (resid 54 and name HA ) (resid 55 and name HN ) 2.5 0.7 2.5 ! A.361 at 5.38e+05 assign (resid 54 and name HB# ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.370 at 7.08e+04 assign (resid 54 and name HA ) (resid 56 and name HN ) 2.5 0.7 2.5 ! A.369 at 1.76e+05 assign (resid 54 and name HN ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.353 at 5.57e+04 assign (resid 54 and name HA ) (resid 93 and name HD2# ) 2.5 0.7 2.5 ! A.396 at 2.55e+05 assign (resid 55 and name HN ) (resid 56 and name HN ) 2.5 0.7 1.0 ! A.365 at 6.45e+05 assign (resid 55 and name HD2# ) (resid 56 and name HN ) 2.5 0.7 2.5 ! A.368 at 1.99e+05 assign (resid 55 and name HN ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.360 at 8.91e+04 assign (resid 56 and name HN ) (resid 57 and name HN ) 2.5 0.7 2.5 ! A.364 at 1.09e+05 assign (resid 56 and name HB# ) (resid 57 and name HN ) 2.5 0.7 2.5 ! A.380 at 4.64e+05 assign (resid 56 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.4 ! A.377 at 1.19e+06 assign (resid 56 and name HN ) (resid 93 and name HD2# ) 2.5 0.7 1.0 ! A.367 at 7.26e+05 assign (resid 56 and name HB# ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.392 at 6.06e+04 assign (resid 56 and name HB# ) (resid 114 and name HN ) 2.5 0.7 2.5 ! A.685 at 2.12e+05 assign (resid 57 and name HA ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.398 at 2.03e+06 assign (resid 57 and name HB# ) (resid 58 and name HN ) 2.5 0.7 2.5 ! A.694 at 4.89e+05 assign (resid 57 and name HN ) (resid 58 and name HN ) 2.5 0.7 2.5 ! A.372 at 1.09e+05 assign (resid 57 and name HN ) (resid 113 and name HB# ) 2.5 0.7 3.5 ! A.381 at 6.36e+04 assign (resid 57 and name HN ) (resid 113 and name HA ) 2.5 0.7 3.5 ! A.376 at 9.57e+04 assign (resid 57 and name HB# ) (resid 114 and name HN ) 2.5 0.7 2.5 ! A.687 at 1.10e+05 assign (resid 57 and name HN ) (resid 115 and name HA ) 2.5 0.7 3.5 ! A.378 at 6.54e+04 assign (resid 57 and name HN ) (resid 115 and name HB# ) 2.5 0.7 2.5 ! A.382 at 1.02e+05 assign (resid 58 and name HG1# ) (resid 59 and name HN ) 2.5 0.7 3.0 ! A.408 at 2.34e+05 assign (resid 58 and name HB ) (resid 59 and name HN ) 2.5 0.7 3.5 ! A.409 at 6.85e+04 assign (resid 58 and name HN ) (resid 59 and name HN ) 2.5 0.7 3.5 ! A.403 at 6.37e+04 assign (resid 58 and name HG2# ) (resid 59 and name HN ) 2.5 0.7 3.0 ! A.407 at 3.78e+05 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.405 at 1.15e+06 assign (resid 58 and name HN ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.693 at 7.25e+04 assign (resid 58 and name HG1# ) (resid 93 and name HD2# ) 2.5 0.7 3.0 ! A.390 at 1.55e+05 assign (resid 58 and name HG1# ) (resid 114 and name HN ) 2.5 0.7 3.0 ! A.683 at 1.26e+05 assign (resid 58 and name HA ) (resid 114 and name HN ) 2.5 0.7 2.5 ! A.681 at 1.62e+05 assign (resid 59 and name HN ) (resid 111 and name HB# ) 2.5 0.7 3.5 ! A.406 at 5.62e+04 assign (resid 59 and name HN ) (resid 112 and name HN ) 2.5 0.7 2.5 ! A.402 at 2.29e+05 assign (resid 59 and name HN ) (resid 113 and name HA ) 2.5 0.7 2.5 ! A.404 at 1.73e+05 !assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.412 at 1.23e+06 assign (resid 60 and name HB# ) (resid 61 and name HN ) 2.5 0.7 2.5 ! A.413 at 2.50e+05 assign (resid 60 and name HA ) (resid 62 and name HN ) 2.5 0.7 3.5 ! A.418 at 8.31e+04 assign (resid 60 and name HB# ) (resid 62 and name HN ) 2.5 0.7 2.5 ! A.419 at 1.43e+05 assign (resid 61 and name HN ) (resid 62 and name HN ) 2.5 0.7 2.5 ! A.411 at 4.99e+05 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 2.5 ! A.417 at 2.07e+05 assign (resid 61 and name HB# ) (resid 62 and name HN ) 2.5 0.7 2.5 ! A.421 at 2.42e+05 assign (resid 62 and name HA ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.424 at 6.25e+04 assign (resid 62 and name HN ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.423 at 6.60e+04 !assign (resid 63 and name HA ) (resid 64 and name HN ) 2.5 0.7 0.4 ! A.429 at 1.27e+06 assign (resid 63 and name HN ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.426 at 7.36e+04 assign (resid 64 and name HB# ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.436 at 7.67e+04 assign (resid 64 and name HN ) (resid 65 and name HN ) 2.5 0.7 2.5 ! A.438 at 4.56e+05 !assign (resid 64 and name HN ) (resid 67 and name HB# ) 2.5 0.7 3.0 ! A.435 at 1.16e+05 !assign (resid 64 and name HN ) (resid 67 and name HA ) 2.5 0.7 1.0 ! A.431 at 6.47e+05 assign (resid 64 and name HN ) (resid 77 and name HD* ) 2.5 0.7 4.0 ! A.432 at 7.69e+04 assign (resid 64 and name HN ) (resid 83 and name HD* ) 2.5 0.7 4.0 ! A.433 at 8.07e+04 assign (resid 65 and name HA ) (resid 66 and name HN ) 2.5 0.7 2.5 ! A.546 at 1.85e+05 assign (resid 65 and name HG2# ) (resid 76 and name HD2# ) 2.5 0.7 3.0 ! A.479 at 2.08e+05 assign (resid 66 and name HA ) (resid 66 and name HN ) 2.5 0.7 2.5 ! A.545 at 1.91e+05 assign (resid 66 and name HB# ) (resid 66 and name HN ) 2.5 0.7 2.5 ! A.547 at 1.62e+05 assign (resid 66 and name HA ) (resid 77 and name HN ) 2.5 0.7 2.5 ! A.484 at 1.11e+05 assign (resid 66 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.486 at 6.62e+04 assign (resid 67 and name HN ) (resid 68 and name HN ) 2.5 0.7 3.5 ! A.442 at 6.83e+04 assign (resid 67 and name HB# ) (resid 68 and name HN ) 2.5 0.7 3.0 ! A.444 at 2.15e+05 assign (resid 67 and name HA ) (resid 68 and name HN ) 2.5 0.7 2.5 ! A.443 at 1.73e+05 assign (resid 69 and name HD2# ) (resid 69 and name HN ) 2.5 0.7 3.5 ! A.447 at 7.62e+04 assign (resid 69 and name HA ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.458 at 8.02e+04 assign (resid 69 and name HD2# ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.456 at 6.39e+04 assign (resid 69 and name HB# ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.461 at 8.32e+04 assign (resid 69 and name HN ) (resid 73 and name HN ) 2.5 0.7 2.5 ! A.468 at 1.20e+05 assign (resid 69 and name HD2# ) (resid 73 and name HB# ) 2.5 0.7 1.5 assign (resid 70 and name HA ) (resid 70 and name HN ) 2.5 0.7 2.5 ! A.449 at 2.98e+05 assign (resid 70 and name HN ) (resid 71 and name HN ) 2.5 0.7 2.5 ! A.445 at 2.34e+05 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 2.5 ! A.459 at 2.74e+05 !assign (resid 70 and name HD# ) (resid 108 and name HB# ) 2.5 0.7 1.5 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 1.0 ! A.453 at 8.62e+05 assign (resid 71 and name HN ) (resid 72 and name HA# ) 2.5 0.7 3.5 ! A.460 at 9.57e+04 assign (resid 71 and name HB# ) (resid 72 and name HN ) 2.5 0.7 3.5 ! A.465 at 8.28e+04 assign (resid 71 and name HA ) (resid 72 and name HN ) 2.5 0.7 2.5 ! A.464 at 1.08e+05 assign (resid 71 and name HN ) (resid 73 and name HN ) 2.5 0.7 3.5 ! A.469 at 9.01e+04 assign (resid 72 and name HN ) (resid 73 and name HN ) 2.5 0.7 2.5 ! A.467 at 3.55e+05 assign (resid 72 and name HA# ) (resid 73 and name HN ) 2.5 0.7 2.5 ! A.470 at 1.22e+05 assign (resid 73 and name HB# ) (resid 74 and name HN ) 2.5 0.7 2.5 ! A.472 at 2.62e+05 assign (resid 73 and name HD# ) (resid 74 and name HN ) 2.5 0.7 3.5 ! A.474 at 4.24e+04 assign (resid 73 and name HN ) (resid 74 and name HN ) 2.5 0.7 3.5 ! A.471 at 6.12e+04 assign (resid 74 and name HA ) (resid 75 and name HN ) 2.5 0.7 2.5 ! A.476 at 4.52e+05 assign (resid 76 and name HN ) (resid 76 and name HD2# ) 2.5 0.7 3.5 ! A.482 at 8.94e+04 assign (resid 76 and name HB# ) (resid 78 and name HN ) 2.5 0.7 2.5 ! A.491 at 1.30e+05 assign (resid 76 and name HD2# ) (resid 79 and name HN ) 2.5 0.7 3.5 ! A.493 at 7.97e+04 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.5 0.7 2.5 ! A.483 at 1.60e+05 assign (resid 77 and name HA ) (resid 78 and name HN ) 2.5 0.7 2.5 ! A.488 at 3.49e+05 assign (resid 77 and name HD* ) (resid 78 and name HN ) 2.5 0.7 4.0 ! A.489 at 7.36e+04 assign (resid 78 and name HA ) (resid 79 and name HN ) 2.5 0.7 2.5 ! A.494 at 3.20e+05 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.5 0.7 1.0 ! A.497 at 5.95e+05 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.5 0.7 1.0 ! A.498 at 8.56e+05 !assign (resid 81 and name HN ) (resid 82 and name HN ) 2.5 0.7 0.4 ! A.499 at 1.40e+06 assign (resid 81 and name HD* ) (resid 82 and name HN ) 2.5 0.7 3.0 ! A.503 at 1.52e+05 assign (resid 81 and name HD* ) (resid 107 and name HE1 ) 2.5 0.7 3.0 ! A.638 at 1.94e+05 assign (resid 82 and name HN ) (resid 83 and name HN ) 2.5 0.7 2.5 ! A.504 at 1.19e+05 assign (resid 82 and name HA ) (resid 83 and name HN ) 2.5 0.7 2.5 ! A.505 at 3.07e+05 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 1.0 ! A.508 at 8.34e+05 assign (resid 83 and name HD* ) (resid 84 and name HN ) 2.5 0.7 3.0 ! A.510 at 1.82e+05 assign (resid 83 and name HB# ) (resid 84 and name HN ) 2.5 0.7 2.5 ! A.511 at 2.55e+05 assign (resid 84 and name HA ) (resid 84 and name HN ) 2.5 0.7 2.5 ! A.509 at 1.35e+05 assign (resid 84 and name HG2# ) (resid 85 and name HN ) 2.5 0.7 3.0 ! A.517 at 2.07e+05 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.5 0.7 1.0 ! A.514 at 5.52e+05 assign (resid 84 and name HB ) (resid 85 and name HN ) 2.5 0.7 1.0 ! A.515 at 8.34e+05 assign (resid 84 and name HN ) (resid 85 and name HN ) 2.5 0.7 3.5 ! A.506 at 6.15e+04 assign (resid 85 and name HB# ) (resid 85 and name HN ) 2.5 0.7 2.5 ! A.516 at 1.03e+05 assign (resid 85 and name HN ) (resid 86 and name HN ) 2.5 0.7 2.5 ! A.513 at 3.47e+05 assign (resid 85 and name HB# ) (resid 86 and name HN ) 2.5 0.7 3.5 ! A.521 at 8.22e+04 assign (resid 85 and name HA ) (resid 86 and name HN ) 2.5 0.7 1.0 ! A.520 at 6.01e+05 assign (resid 86 and name HA ) (resid 87 and name HN ) 2.5 0.7 2.5 ! A.522 at 5.18e+05 assign (resid 86 and name HN ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.518 at 8.14e+04 assign (resid 86 and name HG2# ) (resid 96 and name HN ) 2.5 0.7 4.0 ! A.566 at 8.07e+04 assign (resid 87 and name HG1# ) (resid 88 and name HN ) 2.5 0.7 2.5 ! A.530 at 1.31e+05 assign (resid 87 and name HA ) (resid 88 and name HN ) 2.5 0.7 0.4 ! A.526 at 1.55e+06 assign (resid 87 and name HG2# ) (resid 88 and name HN ) 2.5 0.7 3.0 ! A.528 at 3.86e+05 assign (resid 87 and name HN ) (resid 88 and name HN ) 2.5 0.7 3.5 ! A.524 at 9.16e+04 assign (resid 87 and name HD1# ) (resid 88 and name HN ) 2.5 0.7 4.0 ! A.527 at 6.53e+04 assign (resid 87 and name HG2# ) (resid 89 and name HN ) 2.5 0.7 3.0 ! A.534 at 1.25e+05 assign (resid 87 and name HN ) (resid 96 and name HB# ) 2.5 0.7 3.5 ! A.523 at 5.32e+04 assign (resid 87 and name HB ) (resid 96 and name HN ) 2.5 0.7 2.5 ! A.564 at 2.61e+05 assign (resid 87 and name HG2# ) (resid 96 and name HN ) 2.5 0.7 3.0 ! A.565 at 1.04e+05 assign (resid 88 and name HB# ) (resid 88 and name HN ) 2.5 0.7 2.5 ! A.529 at 1.23e+05 assign (resid 88 and name HN ) (resid 89 and name HN ) 2.5 0.7 3.5 ! A.525 at 5.17e+04 assign (resid 88 and name HB# ) (resid 89 and name HN ) 2.5 0.7 3.5 ! A.535 at 5.32e+04 assign (resid 88 and name HA ) (resid 89 and name HN ) 2.5 0.7 2.5 ! A.533 at 3.57e+05 assign (resid 88 and name HG# ) (resid 89 and name HN ) 2.5 0.7 2.5 ! A.536 at 2.36e+05 !assign (resid 88 and name HG# ) (resid 90 and name HN ) 2.5 0.7 2.5 ! A.540 at 1.06e+05 assign (resid 89 and name HA ) (resid 90 and name HN ) 2.5 0.7 0.4 ! A.539 at 1.42e+06 assign (resid 89 and name HN ) (resid 90 and name HN ) 2.5 0.7 3.5 ! A.537 at 9.05e+04 assign (resid 89 and name HB# ) (resid 94 and name HN ) 2.5 0.7 2.5 ! A.552 at 1.51e+05 assign (resid 89 and name HN ) (resid 95 and name HA ) 2.5 0.7 2.5 ! A.532 at 1.60e+05 assign (resid 90 and name HD2 ) (resid 90 and name HN ) 2.5 0.7 3.5 ! A.538 at 4.58e+04 assign (resid 90 and name HA ) (resid 91 and name HN ) 2.5 0.7 1.0 ! A.542 at 9.42e+05 assign (resid 90 and name HB# ) (resid 91 and name HN ) 2.5 0.7 3.5 ! A.544 at 8.43e+04 assign (resid 90 and name HA ) (resid 93 and name HN ) 2.5 0.7 2.5 ! A.549 at 2.50e+05 assign (resid 91 and name HN ) (resid 92 and name HN ) 2.5 0.7 1.0 ! A.437 at 9.64e+05 assign (resid 91 and name HN ) (resid 93 and name HN ) 2.5 0.7 2.5 ! A.548 at 1.64e+05 assign (resid 92 and name HN ) (resid 92 and name HD2# ) 2.5 0.7 2.5 ! A.550 at 1.09e+05 assign (resid 93 and name HB# ) (resid 93 and name HD2# ) 2.5 0.7 2.5 ! A.391 at 3.52e+05 assign (resid 93 and name HN ) (resid 94 and name HN ) 2.5 0.7 2.5 ! A.551 at 1.78e+05 assign (resid 95 and name HD# ) (resid 95 and name HN ) 2.5 0.7 2.5 ! A.555 at 1.14e+05 assign (resid 95 and name HA ) (resid 96 and name HN ) 2.5 0.7 1.0 ! A.563 at 8.52e+05 !assign (resid 95 and name HZ ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.561 at 5.77e+04 assign (resid 95 and name HN ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.558 at 5.98e+04 assign (resid 96 and name HA ) (resid 96 and name HN ) 2.5 0.7 2.5 ! A.562 at 1.63e+05 assign (resid 96 and name HB# ) (resid 97 and name HN ) 2.5 0.7 2.5 ! A.573 at 1.74e+05 assign (resid 96 and name HA ) (resid 97 and name HN ) 2.5 0.7 0.4 ! A.568 at 1.01e+06 assign (resid 97 and name HA ) (resid 98 and name HN ) 2.5 0.7 1.0 ! A.267 at 7.25e+05 assign (resid 97 and name HB# ) (resid 98 and name HN ) 2.5 0.7 2.5 ! A.271 at 3.70e+05 assign (resid 98 and name HB# ) (resid 98 and name HN ) 2.5 0.7 2.5 ! A.273 at 4.05e+05 assign (resid 98 and name HA ) (resid 99 and name HN ) 2.5 0.7 0.4 ! A.580 at 1.47e+06 assign (resid 98 and name HG# ) (resid 99 and name HN ) 2.5 0.7 2.5 ! A.586 at 3.10e+05 assign (resid 98 and name HD# ) (resid 99 and name HN ) 2.5 0.7 3.5 ! A.584 at 6.66e+04 assign (resid 99 and name HN ) (resid 100 and name HD# ) 2.5 0.7 3.5 ! A.583 at 7.38e+04 assign (resid 100 and name HG# ) (resid 101 and name HN ) 2.5 0.7 3.5 ! A.592 at 8.54e+04 assign (resid 100 and name HB# ) (resid 101 and name HN ) 2.5 0.7 2.5 ! A.590 at 4.22e+05 assign (resid 100 and name HA ) (resid 101 and name HN ) 2.5 0.7 0.4 ! A.589 at 1.49e+06 assign (resid 100 and name HB# ) (resid 102 and name HN ) 2.5 0.7 1.0 ! A.600 at 6.29e+05 assign (resid 100 and name HG# ) (resid 102 and name HN ) 2.5 0.7 2.5 ! A.601 at 2.20e+05 assign (resid 100 and name HA ) (resid 102 and name HN ) 2.5 0.7 2.5 ! A.596 at 1.64e+05 assign (resid 101 and name HN ) (resid 102 and name HN ) 2.5 0.7 1.0 ! A.594 at 8.97e+05 assign (resid 101 and name HA ) (resid 102 and name HN ) 2.5 0.7 2.5 ! A.597 at 2.91e+05 assign (resid 101 and name HB# ) (resid 102 and name HN ) 2.5 0.7 2.5 ! A.598 at 3.03e+05 assign (resid 102 and name HD* ) (resid 102 and name HN ) 2.5 0.7 3.0 ! A.603 at 1.60e+05 assign (resid 102 and name HB# ) (resid 103 and name HN ) 2.5 0.7 2.5 ! A.606 at 1.54e+05 assign (resid 102 and name HD* ) (resid 103 and name HN ) 2.5 0.7 3.0 ! A.607 at 2.37e+05 assign (resid 102 and name HA ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.605 at 1.23e+06 assign (resid 102 and name HN ) (resid 103 and name HN ) 2.5 0.7 3.5 ! A.604 at 6.88e+04 assign (resid 102 and name HD* ) (resid 105 and name HN ) 2.5 0.7 4.0 ! A.616 at 5.05e+04 assign (resid 103 and name HG2# ) (resid 104 and name HN ) 2.5 0.7 4.0 ! A.608 at 9.95e+04 assign (resid 103 and name HB ) (resid 104 and name HN ) 2.5 0.7 3.5 ! A.609 at 6.26e+04 assign (resid 103 and name HG2# ) (resid 105 and name HN ) 2.5 0.7 3.0 ! A.615 at 2.44e+05 assign (resid 103 and name HA ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.633 at 5.60e+04 assign (resid 103 and name HD1# ) (resid 107 and name HE1 ) 2.5 0.7 3.0 ! A.639 at 3.05e+05 assign (resid 103 and name HG2# ) (resid 107 and name HE1 ) 2.5 0.7 3.0 ! A.636 at 2.57e+05 assign (resid 103 and name HB ) (resid 107 and name HE1 ) 2.5 0.7 2.5 ! A.635 at 1.13e+05 assign (resid 104 and name HN ) (resid 105 and name HN ) 2.5 0.7 2.5 ! A.611 at 3.04e+05 assign (resid 104 and name HB# ) (resid 105 and name HN ) 2.5 0.7 2.5 ! A.613 at 3.37e+05 assign (resid 104 and name HN ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.625 at 9.85e+04 assign (resid 105 and name HN ) (resid 106 and name HN ) 2.5 0.7 2.5 ! A.612 at 2.17e+05 assign (resid 105 and name HN ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.626 at 7.83e+04 assign (resid 105 and name HB# ) (resid 107 and name HE1 ) 2.5 0.7 2.5 ! A.634 at 1.69e+05 assign (resid 106 and name HN ) (resid 107 and name HN ) 2.5 0.7 2.5 ! A.620 at 2.70e+05 assign (resid 106 and name HA ) (resid 107 and name HN ) 2.5 0.7 1.0 ! A.502 at 7.56e+05 !assign (resid 106 and name HN ) (resid 127 and name HB# ) 2.5 0.7 3.0 ! A.619 at 1.40e+05 assign (resid 107 and name HN ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.627 at 6.28e+04 assign (resid 107 and name HD1 ) (resid 107 and name HN ) 2.5 0.7 3.5 ! A.621 at 6.54e+04 assign (resid 107 and name HB# ) (resid 127 and name HN ) 2.5 0.7 3.5 ! A.753 at 5.68e+04 assign (resid 107 and name HN ) (resid 127 and name HB# ) 2.5 0.7 3.0 ! A.622 at 3.64e+05 assign (resid 108 and name HD# ) (resid 109 and name HN ) 2.5 0.7 3.5 ! A.648 at 9.75e+04 assign (resid 108 and name HA ) (resid 109 and name HN ) 2.5 0.7 1.0 ! A.644 at 9.11e+05 assign (resid 108 and name HN ) (resid 109 and name HN ) 2.5 0.7 3.5 ! A.643 at 6.88e+04 assign (resid 108 and name HA ) (resid 127 and name HN ) 2.5 0.7 2.5 ! A.751 at 1.18e+05 assign (resid 109 and name HA ) (resid 110 and name HN ) 2.5 0.7 3.5 ! A.441 at 7.21e+04 assign (resid 109 and name HE# ) (resid 111 and name HN ) 2.5 0.7 3.5 ! A.650 at 6.01e+04 assign (resid 109 and name HN ) (resid 125 and name HN ) 2.5 0.7 2.5 ! A.738 at 2.44e+05 assign (resid 109 and name HN ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.646 at 8.37e+04 assign (resid 109 and name HN ) (resid 126 and name HA ) 2.5 0.7 2.5 ! A.645 at 3.02e+05 assign (resid 110 and name HB# ) (resid 111 and name HN ) 2.5 0.7 2.5 ! A.654 at 5.26e+05 assign (resid 110 and name HA ) (resid 111 and name HN ) 2.5 0.7 1.0 ! A.651 at 8.55e+05 assign (resid 110 and name HB# ) (resid 125 and name HN ) 2.5 0.7 3.5 ! A.743 at 5.75e+04 assign (resid 110 and name HA ) (resid 125 and name HN ) 2.5 0.7 3.5 ! A.740 at 8.85e+04 assign (resid 111 and name HA ) (resid 112 and name HN ) 2.5 0.7 2.5 ! A.661 at 2.98e+05 assign (resid 111 and name HB# ) (resid 112 and name HN ) 2.5 0.7 3.5 ! A.663 at 7.94e+04 assign (resid 111 and name HN ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.659 at 6.20e+04 assign (resid 111 and name HN ) (resid 122 and name HA ) 2.5 0.7 3.5 ! A.653 at 7.13e+04 assign (resid 111 and name HN ) (resid 122 and name HG1# ) 2.5 0.7 3.0 ! A.658 at 1.63e+05 assign (resid 111 and name HN ) (resid 123 and name HN ) 2.5 0.7 2.5 ! A.722 at 2.32e+05 assign (resid 111 and name HN ) (resid 123 and name HB# ) 2.5 0.7 2.5 ! A.656 at 1.95e+05 assign (resid 111 and name HN ) (resid 124 and name HA ) 2.5 0.7 2.5 ! A.652 at 1.25e+05 assign (resid 112 and name HG* ) (resid 113 and name HN ) 2.5 0.7 3.0 ! A.671 at 3.67e+05 assign (resid 112 and name HA ) (resid 113 and name HN ) 2.5 0.7 0.4 ! A.667 at 1.23e+06 assign (resid 112 and name HB ) (resid 113 and name HN ) 2.5 0.7 2.5 ! A.674 at 1.23e+05 assign (resid 112 and name HG* ) (resid 121 and name HN ) 2.5 0.7 3.0 ! A.713 at 1.44e+05 assign (resid 112 and name HG* ) (resid 123 and name HN ) 2.5 0.7 4.0 ! A.727 at 5.84e+04 assign (resid 113 and name HN ) (resid 114 and name HN ) 2.5 0.7 3.5 ! A.666 at 5.44e+04 assign (resid 113 and name HA ) (resid 114 and name HN ) 2.5 0.7 0.4 ! A.680 at 1.68e+06 assign (resid 113 and name HB# ) (resid 114 and name HN ) 2.5 0.7 2.5 ! A.686 at 2.17e+05 assign (resid 113 and name HN ) (resid 121 and name HN ) 2.5 0.7 2.5 ! A.664 at 2.38e+05 assign (resid 113 and name HN ) (resid 121 and name HB# ) 2.5 0.7 2.5 ! A.673 at 1.75e+05 assign (resid 113 and name HN ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.670 at 6.84e+04 assign (resid 113 and name HN ) (resid 122 and name HA ) 2.5 0.7 2.5 ! A.668 at 1.56e+05 assign (resid 113 and name HN ) (resid 123 and name HN ) 2.5 0.7 3.5 ! A.723 at 5.16e+04 assign (resid 114 and name HA ) (resid 115 and name HN ) 2.5 0.7 0.4 ! A.690 at 1.74e+06 assign (resid 114 and name HB# ) (resid 115 and name HN ) 2.5 0.7 2.5 ! A.692 at 2.21e+05 assign (resid 114 and name HN ) (resid 115 and name HN ) 2.5 0.7 3.5 ! A.688 at 1.00e+05 assign (resid 115 and name HD# ) (resid 116 and name HN ) 2.5 0.7 2.5 ! A.401 at 6.09e+05 assign (resid 115 and name HA ) (resid 116 and name HN ) 2.5 0.7 0.4 ! A.399 at 1.85e+06 assign (resid 115 and name HN ) (resid 118 and name HN ) 2.5 0.7 3.5 ! A.689 at 5.56e+04 assign (resid 116 and name HB# ) (resid 116 and name HN ) 2.5 0.7 1.5 ! A.400 at 1.10e+06 assign (resid 116 and name HN ) (resid 117 and name HN ) 2.5 0.7 2.5 ! A.384 at 2.31e+05 assign (resid 116 and name HA ) (resid 117 and name HN ) 2.5 0.7 0.4 ! A.697 at 1.77e+06 assign (resid 116 and name HB# ) (resid 117 and name HN ) 2.5 0.7 0.4 ! A.699 at 1.24e+06 assign (resid 117 and name HA ) (resid 117 and name HN ) 2.5 0.7 0.4 ! A.698 at 1.59e+06 assign (resid 117 and name HN ) (resid 118 and name HN ) 2.5 0.7 1.0 ! A.695 at 6.28e+05 assign (resid 117 and name HN ) (resid 118 and name HG# ) 2.5 0.7 3.5 ! A.700 at 7.54e+04 assign (resid 118 and name HN ) (resid 119 and name HN ) 2.5 0.7 2.5 ! A.701 at 1.06e+05 assign (resid 118 and name HB# ) (resid 119 and name HN ) 2.5 0.7 2.5 ! A.703 at 4.76e+05 assign (resid 118 and name HG# ) (resid 119 and name HN ) 2.5 0.7 2.5 ! A.704 at 1.55e+05 assign (resid 118 and name HA ) (resid 119 and name HN ) 2.5 0.7 1.0 ! A.702 at 6.61e+05 assign (resid 119 and name HE# ) (resid 119 and name HN ) 2.5 0.7 2.5 ! A.705 at 1.08e+05 assign (resid 119 and name HA ) (resid 120 and name HN ) 2.5 0.7 0.4 ! A.707 at 1.80e+06 assign (resid 120 and name HN ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.706 at 9.49e+04 assign (resid 120 and name HA ) (resid 121 and name HN ) 2.5 0.7 0.4 ! A.711 at 1.35e+06 assign (resid 121 and name HN ) (resid 122 and name HN ) 2.5 0.7 3.5 ! A.717 at 7.34e+04 assign (resid 121 and name HD* ) (resid 122 and name HN ) 2.5 0.7 3.0 ! A.720 at 2.96e+05 assign (resid 121 and name HA ) (resid 122 and name HN ) 2.5 0.7 0.4 ! A.718 at 1.57e+06 assign (resid 121 and name HB# ) (resid 122 and name HN ) 2.5 0.7 2.5 ! A.719 at 1.81e+05 assign (resid 121 and name HN ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.712 at 6.13e+04 assign (resid 122 and name HA ) (resid 123 and name HN ) 2.5 0.7 0.4 ! A.725 at 1.35e+06 assign (resid 122 and name HG1# ) (resid 123 and name HN ) 2.5 0.7 3.0 ! A.726 at 5.32e+05 assign (resid 122 and name HB ) (resid 123 and name HN ) 2.5 0.7 3.5 ! A.728 at 6.46e+04 assign (resid 122 and name HG1# ) (resid 124 and name HN ) 2.5 0.7 3.0 ! A.736 at 2.29e+05 assign (resid 123 and name HA ) (resid 124 and name HN ) 2.5 0.7 0.4 ! A.733 at 1.68e+06 assign (resid 123 and name HB# ) (resid 124 and name HN ) 2.5 0.7 2.5 ! A.737 at 1.97e+05 assign (resid 123 and name HN ) (resid 124 and name HN ) 2.5 0.7 3.5 ! A.729 at 7.23e+04 assign (resid 124 and name HG2# ) (resid 125 and name HN ) 2.5 0.7 3.0 ! A.744 at 2.98e+05 assign (resid 124 and name HA ) (resid 125 and name HN ) 2.5 0.7 1.0 ! A.741 at 8.61e+05 assign (resid 125 and name HG* ) (resid 126 and name HN ) 2.5 0.7 3.0 ! A.748 at 2.55e+05 assign (resid 125 and name HA ) (resid 126 and name HN ) 2.5 0.7 0.4 ! A.745 at 1.82e+06 assign (resid 126 and name HA ) (resid 127 and name HN ) 2.5 0.7 0.4 ! A.752 at 1.34e+06 assign (resid 126 and name HB# ) (resid 127 and name HN ) 2.5 0.7 2.5 ! A.756 at 3.93e+05 assign (resid 126 and name HG# ) (resid 127 and name HN ) 2.5 0.7 2.5 ! A.757 at 1.03e+05
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