NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

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





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 23, 2024 5:02:54 PM GMT (wattos1)