NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645701 |
6pvr   |
30645 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
# Restraints file 1: bm2dihC.tbl
! 3 E -70.453 145.080 15.557 18.170 0.796 0.758 25 10 Strong
assign (resid 2 and name C and segid C ) (resid 3 and name N and segid C )
(resid 3 and name CA and segid C ) (resid 3 and name C and segid C ) 1.0 -70.5 31.1 2
assign (resid 3 and name N and segid C ) (resid 3 and name CA and segid C )
(resid 3 and name C and segid C ) (resid 4 and name N and segid C ) 1.0 145.1 36.3 2
! 4 P -53.961 -37.594 4.433 6.240 0.570 0.779 25 11 Strong
assign (resid 3 and name C and segid C ) (resid 4 and name N and segid C )
(resid 4 and name CA and segid C ) (resid 4 and name C and segid C ) 1.0 -54.0 20.0 2
assign (resid 4 and name N and segid C ) (resid 4 and name CA and segid C )
(resid 4 and name C and segid C ) (resid 5 and name N and segid C ) 1.0 -37.6 20.0 2
! 5 F -67.180 -29.371 7.956 14.409 0.534 0.793 25 9 Strong
assign (resid 4 and name C and segid C ) (resid 5 and name N and segid C )
(resid 5 and name CA and segid C ) (resid 5 and name C and segid C ) 1.0 -67.2 20.0 2
assign (resid 5 and name N and segid C ) (resid 5 and name CA and segid C )
(resid 5 and name C and segid C ) (resid 6 and name N and segid C ) 1.0 -29.4 28.8 2
! 7 I -63.654 -38.213 6.512 5.727 0.286 0.867 25 10 Strong
assign (resid 6 and name C and segid C ) (resid 7 and name N and segid C )
(resid 7 and name CA and segid C ) (resid 7 and name C and segid C ) 1.0 -63.7 20.0 2
assign (resid 7 and name N and segid C ) (resid 7 and name CA and segid C )
(resid 7 and name C and segid C ) (resid 8 and name N and segid C ) 1.0 -38.2 20.0 2
! 8 L -64.718 -37.705 4.595 5.856 0.233 0.902 25 12 Strong
assign (resid 7 and name C and segid C ) (resid 8 and name N and segid C )
(resid 8 and name CA and segid C ) (resid 8 and name C and segid C ) 1.0 -64.7 20.0 2
assign (resid 8 and name N and segid C ) (resid 8 and name CA and segid C )
(resid 8 and name C and segid C ) (resid 9 and name N and segid C ) 1.0 -37.7 20.0 2
! 9 S -65.261 -35.975 5.233 5.639 0.180 0.919 25 12 Strong
assign (resid 8 and name C and segid C ) (resid 9 and name N and segid C )
(resid 9 and name CA and segid C ) (resid 9 and name C and segid C ) 1.0 -65.3 20.0 2
assign (resid 9 and name N and segid C ) (resid 9 and name CA and segid C )
(resid 9 and name C and segid C ) (resid 10 and name N and segid C ) 1.0 -36.0 20.0 2
! 10 I -64.717 -41.016 4.608 4.463 0.140 0.926 25 12 Strong
assign (resid 9 and name C and segid C ) (resid 10 and name N and segid C )
(resid 10 and name CA and segid C ) (resid 10 and name C and segid C ) 1.0 -64.7 20.0 2
assign (resid 10 and name N and segid C ) (resid 10 and name CA and segid C )
(resid 10 and name C and segid C ) (resid 11 and name N and segid C ) 1.0 -41.0 20.0 2
! 11 C -62.839 -40.076 3.981 4.079 0.139 0.930 25 12 Strong
assign (resid 10 and name C and segid C ) (resid 11 and name N and segid C )
(resid 11 and name CA and segid C ) (resid 11 and name C and segid C ) 1.0 -62.8 20.0 2
assign (resid 11 and name N and segid C ) (resid 11 and name CA and segid C )
(resid 11 and name C and segid C ) (resid 12 and name N and segid C ) 1.0 -40.1 20.0 2
! 12 S -65.336 -38.099 4.902 5.634 0.113 0.926 25 12 Strong
assign (resid 11 and name C and segid C ) (resid 12 and name N and segid C )
(resid 12 and name CA and segid C ) (resid 12 and name C and segid C ) 1.0 -65.3 20.0 2
assign (resid 12 and name N and segid C ) (resid 12 and name CA and segid C )
(resid 12 and name C and segid C ) (resid 13 and name N and segid C ) 1.0 -38.1 20.0 2
! 13 F -64.651 -39.747 4.581 4.394 0.098 0.922 25 12 Strong
assign (resid 12 and name C and segid C ) (resid 13 and name N and segid C )
(resid 13 and name CA and segid C ) (resid 13 and name C and segid C ) 1.0 -64.7 20.0 2
assign (resid 13 and name N and segid C ) (resid 13 and name CA and segid C )
(resid 13 and name C and segid C ) (resid 14 and name N and segid C ) 1.0 -39.7 20.0 2
! 14 I -64.732 -41.290 5.387 5.528 0.098 0.917 25 12 Strong
assign (resid 13 and name C and segid C ) (resid 14 and name N and segid C )
(resid 14 and name CA and segid C ) (resid 14 and name C and segid C ) 1.0 -64.7 20.0 2
assign (resid 14 and name N and segid C ) (resid 14 and name CA and segid C )
(resid 14 and name C and segid C ) (resid 15 and name N and segid C ) 1.0 -41.3 20.0 2
! 15 L -64.693 -35.309 5.244 5.958 0.083 0.906 25 12 Strong
assign (resid 14 and name C and segid C ) (resid 15 and name N and segid C )
(resid 15 and name CA and segid C ) (resid 15 and name C and segid C ) 1.0 -64.7 20.0 2
assign (resid 15 and name N and segid C ) (resid 15 and name CA and segid C )
(resid 15 and name C and segid C ) (resid 16 and name N and segid C ) 1.0 -35.3 20.0 2
! 16 S -67.376 -37.031 5.161 3.982 0.102 0.886 25 12 Strong
assign (resid 15 and name C and segid C ) (resid 16 and name N and segid C )
(resid 16 and name CA and segid C ) (resid 16 and name C and segid C ) 1.0 -67.4 20.0 2
assign (resid 16 and name N and segid C ) (resid 16 and name CA and segid C )
(resid 16 and name C and segid C ) (resid 17 and name N and segid C ) 1.0 -37.0 20.0 2
! 17 A -64.866 -39.632 4.263 4.603 0.111 0.873 25 12 Strong
assign (resid 16 and name C and segid C ) (resid 17 and name N and segid C )
(resid 17 and name CA and segid C ) (resid 17 and name C and segid C ) 1.0 -64.9 20.0 2
assign (resid 17 and name N and segid C ) (resid 17 and name CA and segid C )
(resid 17 and name C and segid C ) (resid 18 and name N and segid C ) 1.0 -39.6 20.0 2
! 18 L -65.372 -40.053 4.112 5.662 0.134 0.877 25 12 Strong
assign (resid 17 and name C and segid C ) (resid 18 and name N and segid C )
(resid 18 and name CA and segid C ) (resid 18 and name C and segid C ) 1.0 -65.4 20.0 2
assign (resid 18 and name N and segid C ) (resid 18 and name CA and segid C )
(resid 18 and name C and segid C ) (resid 19 and name N and segid C ) 1.0 -40.1 20.0 2
! 19 H -67.345 -39.981 4.938 5.586 0.151 0.894 25 12 Strong
assign (resid 18 and name C and segid C ) (resid 19 and name N and segid C )
(resid 19 and name CA and segid C ) (resid 19 and name C and segid C ) 1.0 -67.3 20.0 2
assign (resid 19 and name N and segid C ) (resid 19 and name CA and segid C )
(resid 19 and name C and segid C ) (resid 20 and name N and segid C ) 1.0 -40.0 20.0 2
! 20 F -68.154 -37.986 4.580 5.788 0.147 0.904 25 12 Strong
assign (resid 19 and name C and segid C ) (resid 20 and name N and segid C )
(resid 20 and name CA and segid C ) (resid 20 and name C and segid C ) 1.0 -68.2 20.0 2
assign (resid 20 and name N and segid C ) (resid 20 and name CA and segid C )
(resid 20 and name C and segid C ) (resid 21 and name N and segid C ) 1.0 -38.0 20.0 2
! 21 M -64.346 -41.737 3.603 4.840 0.157 0.905 25 12 Strong
assign (resid 20 and name C and segid C ) (resid 21 and name N and segid C )
(resid 21 and name CA and segid C ) (resid 21 and name C and segid C ) 1.0 -64.3 20.0 2
assign (resid 21 and name N and segid C ) (resid 21 and name CA and segid C )
(resid 21 and name C and segid C ) (resid 22 and name N and segid C ) 1.0 -41.7 20.0 2
! 22 A -64.298 -37.696 5.053 5.182 0.149 0.903 25 12 Strong
assign (resid 21 and name C and segid C ) (resid 22 and name N and segid C )
(resid 22 and name CA and segid C ) (resid 22 and name C and segid C ) 1.0 -64.3 20.0 2
assign (resid 22 and name N and segid C ) (resid 22 and name CA and segid C )
(resid 22 and name C and segid C ) (resid 23 and name N and segid C ) 1.0 -37.7 20.0 2
! 23 W -64.018 -42.866 5.882 6.641 0.144 0.908 25 12 Strong
assign (resid 22 and name C and segid C ) (resid 23 and name N and segid C )
(resid 23 and name CA and segid C ) (resid 23 and name C and segid C ) 1.0 -64.0 20.0 2
assign (resid 23 and name N and segid C ) (resid 23 and name CA and segid C )
(resid 23 and name C and segid C ) (resid 24 and name N and segid C ) 1.0 -42.9 20.0 2
! 24 T -66.286 -39.115 3.373 5.352 0.138 0.909 25 12 Strong
assign (resid 23 and name C and segid C ) (resid 24 and name N and segid C )
(resid 24 and name CA and segid C ) (resid 24 and name C and segid C ) 1.0 -66.3 20.0 2
assign (resid 24 and name N and segid C ) (resid 24 and name CA and segid C )
(resid 24 and name C and segid C ) (resid 25 and name N and segid C ) 1.0 -39.1 20.0 2
! 25 I -65.277 -38.743 4.978 5.048 0.132 0.913 25 11 Strong
assign (resid 24 and name C and segid C ) (resid 25 and name N and segid C )
(resid 25 and name CA and segid C ) (resid 25 and name C and segid C ) 1.0 -65.3 20.0 2
assign (resid 25 and name N and segid C ) (resid 25 and name CA and segid C )
(resid 25 and name C and segid C ) (resid 26 and name N and segid C ) 1.0 -38.7 20.0 2
! 26 G -61.876 -39.677 4.193 5.760 0.166 0.913 25 11 Strong
assign (resid 25 and name C and segid C ) (resid 26 and name N and segid C )
(resid 26 and name CA and segid C ) (resid 26 and name C and segid C ) 1.0 -61.9 20.0 2
assign (resid 26 and name N and segid C ) (resid 26 and name CA and segid C )
(resid 26 and name C and segid C ) (resid 27 and name N and segid C ) 1.0 -39.7 20.0 2
! 27 H -67.900 -38.563 5.490 6.555 0.197 0.910 25 9 Strong
assign (resid 26 and name C and segid C ) (resid 27 and name N and segid C )
(resid 27 and name CA and segid C ) (resid 27 and name C and segid C ) 1.0 -67.9 20.0 2
assign (resid 27 and name N and segid C ) (resid 27 and name CA and segid C )
(resid 27 and name C and segid C ) (resid 28 and name N and segid C ) 1.0 -38.6 20.0 2
! 28 L -65.307 -32.504 4.888 6.443 0.242 0.851 25 10 Strong
assign (resid 27 and name C and segid C ) (resid 28 and name N and segid C )
(resid 28 and name CA and segid C ) (resid 28 and name C and segid C ) 1.0 -65.3 20.0 2
assign (resid 28 and name N and segid C ) (resid 28 and name CA and segid C )
(resid 28 and name C and segid C ) (resid 29 and name N and segid C ) 1.0 -32.5 20.0 2
# Restraints file 2: bm2dihD.tbl
! 3 E -70.453 145.080 15.557 18.170 0.796 0.758 25 10 Strong
assign (resid 2 and name C and segid D ) (resid 3 and name N and segid D )
(resid 3 and name CA and segid D ) (resid 3 and name C and segid D ) 1.0 -70.5 31.1 2
assign (resid 3 and name N and segid D ) (resid 3 and name CA and segid D )
(resid 3 and name C and segid D ) (resid 4 and name N and segid D ) 1.0 145.1 36.3 2
! 4 P -53.961 -37.594 4.433 6.240 0.570 0.779 25 11 Strong
assign (resid 3 and name C and segid D ) (resid 4 and name N and segid D )
(resid 4 and name CA and segid D ) (resid 4 and name C and segid D ) 1.0 -54.0 20.0 2
assign (resid 4 and name N and segid D ) (resid 4 and name CA and segid D )
(resid 4 and name C and segid D ) (resid 5 and name N and segid D ) 1.0 -37.6 20.0 2
! 5 F -67.180 -29.371 7.956 14.409 0.534 0.793 25 9 Strong
assign (resid 4 and name C and segid D ) (resid 5 and name N and segid D )
(resid 5 and name CA and segid D ) (resid 5 and name C and segid D ) 1.0 -67.2 20.0 2
assign (resid 5 and name N and segid D ) (resid 5 and name CA and segid D )
(resid 5 and name C and segid D ) (resid 6 and name N and segid D ) 1.0 -29.4 28.8 2
! 7 I -63.654 -38.213 6.512 5.727 0.286 0.867 25 10 Strong
assign (resid 6 and name C and segid D ) (resid 7 and name N and segid D )
(resid 7 and name CA and segid D ) (resid 7 and name C and segid D ) 1.0 -63.7 20.0 2
assign (resid 7 and name N and segid D ) (resid 7 and name CA and segid D )
(resid 7 and name C and segid D ) (resid 8 and name N and segid D ) 1.0 -38.2 20.0 2
! 8 L -64.718 -37.705 4.595 5.856 0.233 0.902 25 12 Strong
assign (resid 7 and name C and segid D ) (resid 8 and name N and segid D )
(resid 8 and name CA and segid D ) (resid 8 and name C and segid D ) 1.0 -64.7 20.0 2
assign (resid 8 and name N and segid D ) (resid 8 and name CA and segid D )
(resid 8 and name C and segid D ) (resid 9 and name N and segid D ) 1.0 -37.7 20.0 2
! 9 S -65.261 -35.975 5.233 5.639 0.180 0.919 25 12 Strong
assign (resid 8 and name C and segid D ) (resid 9 and name N and segid D )
(resid 9 and name CA and segid D ) (resid 9 and name C and segid D ) 1.0 -65.3 20.0 2
assign (resid 9 and name N and segid D ) (resid 9 and name CA and segid D )
(resid 9 and name C and segid D ) (resid 10 and name N and segid D ) 1.0 -36.0 20.0 2
! 10 I -64.717 -41.016 4.608 4.463 0.140 0.926 25 12 Strong
assign (resid 9 and name C and segid D ) (resid 10 and name N and segid D )
(resid 10 and name CA and segid D ) (resid 10 and name C and segid D ) 1.0 -64.7 20.0 2
assign (resid 10 and name N and segid D ) (resid 10 and name CA and segid D )
(resid 10 and name C and segid D ) (resid 11 and name N and segid D ) 1.0 -41.0 20.0 2
! 11 C -62.839 -40.076 3.981 4.079 0.139 0.930 25 12 Strong
assign (resid 10 and name C and segid D ) (resid 11 and name N and segid D )
(resid 11 and name CA and segid D ) (resid 11 and name C and segid D ) 1.0 -62.8 20.0 2
assign (resid 11 and name N and segid D ) (resid 11 and name CA and segid D )
(resid 11 and name C and segid D ) (resid 12 and name N and segid D ) 1.0 -40.1 20.0 2
! 12 S -65.336 -38.099 4.902 5.634 0.113 0.926 25 12 Strong
assign (resid 11 and name C and segid D ) (resid 12 and name N and segid D )
(resid 12 and name CA and segid D ) (resid 12 and name C and segid D ) 1.0 -65.3 20.0 2
assign (resid 12 and name N and segid D ) (resid 12 and name CA and segid D )
(resid 12 and name C and segid D ) (resid 13 and name N and segid D ) 1.0 -38.1 20.0 2
! 13 F -64.651 -39.747 4.581 4.394 0.098 0.922 25 12 Strong
assign (resid 12 and name C and segid D ) (resid 13 and name N and segid D )
(resid 13 and name CA and segid D ) (resid 13 and name C and segid D ) 1.0 -64.7 20.0 2
assign (resid 13 and name N and segid D ) (resid 13 and name CA and segid D )
(resid 13 and name C and segid D ) (resid 14 and name N and segid D ) 1.0 -39.7 20.0 2
! 14 I -64.732 -41.290 5.387 5.528 0.098 0.917 25 12 Strong
assign (resid 13 and name C and segid D ) (resid 14 and name N and segid D )
(resid 14 and name CA and segid D ) (resid 14 and name C and segid D ) 1.0 -64.7 20.0 2
assign (resid 14 and name N and segid D ) (resid 14 and name CA and segid D )
(resid 14 and name C and segid D ) (resid 15 and name N and segid D ) 1.0 -41.3 20.0 2
! 15 L -64.693 -35.309 5.244 5.958 0.083 0.906 25 12 Strong
assign (resid 14 and name C and segid D ) (resid 15 and name N and segid D )
(resid 15 and name CA and segid D ) (resid 15 and name C and segid D ) 1.0 -64.7 20.0 2
assign (resid 15 and name N and segid D ) (resid 15 and name CA and segid D )
(resid 15 and name C and segid D ) (resid 16 and name N and segid D ) 1.0 -35.3 20.0 2
! 16 S -67.376 -37.031 5.161 3.982 0.102 0.886 25 12 Strong
assign (resid 15 and name C and segid D ) (resid 16 and name N and segid D )
(resid 16 and name CA and segid D ) (resid 16 and name C and segid D ) 1.0 -67.4 20.0 2
assign (resid 16 and name N and segid D ) (resid 16 and name CA and segid D )
(resid 16 and name C and segid D ) (resid 17 and name N and segid D ) 1.0 -37.0 20.0 2
! 17 A -64.866 -39.632 4.263 4.603 0.111 0.873 25 12 Strong
assign (resid 16 and name C and segid D ) (resid 17 and name N and segid D )
(resid 17 and name CA and segid D ) (resid 17 and name C and segid D ) 1.0 -64.9 20.0 2
assign (resid 17 and name N and segid D ) (resid 17 and name CA and segid D )
(resid 17 and name C and segid D ) (resid 18 and name N and segid D ) 1.0 -39.6 20.0 2
! 18 L -65.372 -40.053 4.112 5.662 0.134 0.877 25 12 Strong
assign (resid 17 and name C and segid D ) (resid 18 and name N and segid D )
(resid 18 and name CA and segid D ) (resid 18 and name C and segid D ) 1.0 -65.4 20.0 2
assign (resid 18 and name N and segid D ) (resid 18 and name CA and segid D )
(resid 18 and name C and segid D ) (resid 19 and name N and segid D ) 1.0 -40.1 20.0 2
! 19 H -67.345 -39.981 4.938 5.586 0.151 0.894 25 12 Strong
assign (resid 18 and name C and segid D ) (resid 19 and name N and segid D )
(resid 19 and name CA and segid D ) (resid 19 and name C and segid D ) 1.0 -67.3 20.0 2
assign (resid 19 and name N and segid D ) (resid 19 and name CA and segid D )
(resid 19 and name C and segid D ) (resid 20 and name N and segid D ) 1.0 -40.0 20.0 2
! 20 F -68.154 -37.986 4.580 5.788 0.147 0.904 25 12 Strong
assign (resid 19 and name C and segid D ) (resid 20 and name N and segid D )
(resid 20 and name CA and segid D ) (resid 20 and name C and segid D ) 1.0 -68.2 20.0 2
assign (resid 20 and name N and segid D ) (resid 20 and name CA and segid D )
(resid 20 and name C and segid D ) (resid 21 and name N and segid D ) 1.0 -38.0 20.0 2
! 21 M -64.346 -41.737 3.603 4.840 0.157 0.905 25 12 Strong
assign (resid 20 and name C and segid D ) (resid 21 and name N and segid D )
(resid 21 and name CA and segid D ) (resid 21 and name C and segid D ) 1.0 -64.3 20.0 2
assign (resid 21 and name N and segid D ) (resid 21 and name CA and segid D )
(resid 21 and name C and segid D ) (resid 22 and name N and segid D ) 1.0 -41.7 20.0 2
! 22 A -64.298 -37.696 5.053 5.182 0.149 0.903 25 12 Strong
assign (resid 21 and name C and segid D ) (resid 22 and name N and segid D )
(resid 22 and name CA and segid D ) (resid 22 and name C and segid D ) 1.0 -64.3 20.0 2
assign (resid 22 and name N and segid D ) (resid 22 and name CA and segid D )
(resid 22 and name C and segid D ) (resid 23 and name N and segid D ) 1.0 -37.7 20.0 2
! 23 W -64.018 -42.866 5.882 6.641 0.144 0.908 25 12 Strong
assign (resid 22 and name C and segid D ) (resid 23 and name N and segid D )
(resid 23 and name CA and segid D ) (resid 23 and name C and segid D ) 1.0 -64.0 20.0 2
assign (resid 23 and name N and segid D ) (resid 23 and name CA and segid D )
(resid 23 and name C and segid D ) (resid 24 and name N and segid D ) 1.0 -42.9 20.0 2
! 24 T -66.286 -39.115 3.373 5.352 0.138 0.909 25 12 Strong
assign (resid 23 and name C and segid D ) (resid 24 and name N and segid D )
(resid 24 and name CA and segid D ) (resid 24 and name C and segid D ) 1.0 -66.3 20.0 2
assign (resid 24 and name N and segid D ) (resid 24 and name CA and segid D )
(resid 24 and name C and segid D ) (resid 25 and name N and segid D ) 1.0 -39.1 20.0 2
! 25 I -65.277 -38.743 4.978 5.048 0.132 0.913 25 11 Strong
assign (resid 24 and name C and segid D ) (resid 25 and name N and segid D )
(resid 25 and name CA and segid D ) (resid 25 and name C and segid D ) 1.0 -65.3 20.0 2
assign (resid 25 and name N and segid D ) (resid 25 and name CA and segid D )
(resid 25 and name C and segid D ) (resid 26 and name N and segid D ) 1.0 -38.7 20.0 2
! 26 G -61.876 -39.677 4.193 5.760 0.166 0.913 25 11 Strong
assign (resid 25 and name C and segid D ) (resid 26 and name N and segid D )
(resid 26 and name CA and segid D ) (resid 26 and name C and segid D ) 1.0 -61.9 20.0 2
assign (resid 26 and name N and segid D ) (resid 26 and name CA and segid D )
(resid 26 and name C and segid D ) (resid 27 and name N and segid D ) 1.0 -39.7 20.0 2
! 27 H -67.900 -38.563 5.490 6.555 0.197 0.910 25 9 Strong
assign (resid 26 and name C and segid D ) (resid 27 and name N and segid D )
(resid 27 and name CA and segid D ) (resid 27 and name C and segid D ) 1.0 -67.9 20.0 2
assign (resid 27 and name N and segid D ) (resid 27 and name CA and segid D )
(resid 27 and name C and segid D ) (resid 28 and name N and segid D ) 1.0 -38.6 20.0 2
! 28 L -65.307 -32.504 4.888 6.443 0.242 0.851 25 10 Strong
assign (resid 27 and name C and segid D ) (resid 28 and name N and segid D )
(resid 28 and name CA and segid D ) (resid 28 and name C and segid D ) 1.0 -65.3 20.0 2
assign (resid 28 and name N and segid D ) (resid 28 and name CA and segid D )
(resid 28 and name C and segid D ) (resid 29 and name N and segid D ) 1.0 -32.5 20.0 2
# Restraints file 3: bm2dihA.tbl
! 3 E -70.453 145.080 15.557 18.170 0.796 0.758 25 10 Strong
assign (resid 2 and name C and segid A ) (resid 3 and name N and segid A )
(resid 3 and name CA and segid A ) (resid 3 and name C and segid A ) 1.0 -70.5 31.1 2
assign (resid 3 and name N and segid A ) (resid 3 and name CA and segid A )
(resid 3 and name C and segid A ) (resid 4 and name N and segid A ) 1.0 145.1 36.3 2
! 4 P -53.961 -37.594 4.433 6.240 0.570 0.779 25 11 Strong
assign (resid 3 and name C and segid A ) (resid 4 and name N and segid A )
(resid 4 and name CA and segid A ) (resid 4 and name C and segid A ) 1.0 -54.0 20.0 2
assign (resid 4 and name N and segid A ) (resid 4 and name CA and segid A )
(resid 4 and name C and segid A ) (resid 5 and name N and segid A ) 1.0 -37.6 20.0 2
! 5 F -67.180 -29.371 7.956 14.409 0.534 0.793 25 9 Strong
assign (resid 4 and name C and segid A ) (resid 5 and name N and segid A )
(resid 5 and name CA and segid A ) (resid 5 and name C and segid A ) 1.0 -67.2 20.0 2
assign (resid 5 and name N and segid A ) (resid 5 and name CA and segid A )
(resid 5 and name C and segid A ) (resid 6 and name N and segid A ) 1.0 -29.4 28.8 2
! 7 I -63.654 -38.213 6.512 5.727 0.286 0.867 25 10 Strong
assign (resid 6 and name C and segid A ) (resid 7 and name N and segid A )
(resid 7 and name CA and segid A ) (resid 7 and name C and segid A ) 1.0 -63.7 20.0 2
assign (resid 7 and name N and segid A ) (resid 7 and name CA and segid A )
(resid 7 and name C and segid A ) (resid 8 and name N and segid A ) 1.0 -38.2 20.0 2
! 8 L -64.718 -37.705 4.595 5.856 0.233 0.902 25 12 Strong
assign (resid 7 and name C and segid A ) (resid 8 and name N and segid A )
(resid 8 and name CA and segid A ) (resid 8 and name C and segid A ) 1.0 -64.7 20.0 2
assign (resid 8 and name N and segid A ) (resid 8 and name CA and segid A )
(resid 8 and name C and segid A ) (resid 9 and name N and segid A ) 1.0 -37.7 20.0 2
! 9 S -65.261 -35.975 5.233 5.639 0.180 0.919 25 12 Strong
assign (resid 8 and name C and segid A ) (resid 9 and name N and segid A )
(resid 9 and name CA and segid A ) (resid 9 and name C and segid A ) 1.0 -65.3 20.0 2
assign (resid 9 and name N and segid A ) (resid 9 and name CA and segid A )
(resid 9 and name C and segid A ) (resid 10 and name N and segid A ) 1.0 -36.0 20.0 2
! 10 I -64.717 -41.016 4.608 4.463 0.140 0.926 25 12 Strong
assign (resid 9 and name C and segid A ) (resid 10 and name N and segid A )
(resid 10 and name CA and segid A ) (resid 10 and name C and segid A ) 1.0 -64.7 20.0 2
assign (resid 10 and name N and segid A ) (resid 10 and name CA and segid A )
(resid 10 and name C and segid A ) (resid 11 and name N and segid A ) 1.0 -41.0 20.0 2
! 11 C -62.839 -40.076 3.981 4.079 0.139 0.930 25 12 Strong
assign (resid 10 and name C and segid A ) (resid 11 and name N and segid A )
(resid 11 and name CA and segid A ) (resid 11 and name C and segid A ) 1.0 -62.8 20.0 2
assign (resid 11 and name N and segid A ) (resid 11 and name CA and segid A )
(resid 11 and name C and segid A ) (resid 12 and name N and segid A ) 1.0 -40.1 20.0 2
! 12 S -65.336 -38.099 4.902 5.634 0.113 0.926 25 12 Strong
assign (resid 11 and name C and segid A ) (resid 12 and name N and segid A )
(resid 12 and name CA and segid A ) (resid 12 and name C and segid A ) 1.0 -65.3 20.0 2
assign (resid 12 and name N and segid A ) (resid 12 and name CA and segid A )
(resid 12 and name C and segid A ) (resid 13 and name N and segid A ) 1.0 -38.1 20.0 2
! 13 F -64.651 -39.747 4.581 4.394 0.098 0.922 25 12 Strong
assign (resid 12 and name C and segid A ) (resid 13 and name N and segid A )
(resid 13 and name CA and segid A ) (resid 13 and name C and segid A ) 1.0 -64.7 20.0 2
assign (resid 13 and name N and segid A ) (resid 13 and name CA and segid A )
(resid 13 and name C and segid A ) (resid 14 and name N and segid A ) 1.0 -39.7 20.0 2
! 14 I -64.732 -41.290 5.387 5.528 0.098 0.917 25 12 Strong
assign (resid 13 and name C and segid A ) (resid 14 and name N and segid A )
(resid 14 and name CA and segid A ) (resid 14 and name C and segid A ) 1.0 -64.7 20.0 2
assign (resid 14 and name N and segid A ) (resid 14 and name CA and segid A )
(resid 14 and name C and segid A ) (resid 15 and name N and segid A ) 1.0 -41.3 20.0 2
! 15 L -64.693 -35.309 5.244 5.958 0.083 0.906 25 12 Strong
assign (resid 14 and name C and segid A ) (resid 15 and name N and segid A )
(resid 15 and name CA and segid A ) (resid 15 and name C and segid A ) 1.0 -64.7 20.0 2
assign (resid 15 and name N and segid A ) (resid 15 and name CA and segid A )
(resid 15 and name C and segid A ) (resid 16 and name N and segid A ) 1.0 -35.3 20.0 2
! 16 S -67.376 -37.031 5.161 3.982 0.102 0.886 25 12 Strong
assign (resid 15 and name C and segid A ) (resid 16 and name N and segid A )
(resid 16 and name CA and segid A ) (resid 16 and name C and segid A ) 1.0 -67.4 20.0 2
assign (resid 16 and name N and segid A ) (resid 16 and name CA and segid A )
(resid 16 and name C and segid A ) (resid 17 and name N and segid A ) 1.0 -37.0 20.0 2
! 17 A -64.866 -39.632 4.263 4.603 0.111 0.873 25 12 Strong
assign (resid 16 and name C and segid A ) (resid 17 and name N and segid A )
(resid 17 and name CA and segid A ) (resid 17 and name C and segid A ) 1.0 -64.9 20.0 2
assign (resid 17 and name N and segid A ) (resid 17 and name CA and segid A )
(resid 17 and name C and segid A ) (resid 18 and name N and segid A ) 1.0 -39.6 20.0 2
! 18 L -65.372 -40.053 4.112 5.662 0.134 0.877 25 12 Strong
assign (resid 17 and name C and segid A ) (resid 18 and name N and segid A )
(resid 18 and name CA and segid A ) (resid 18 and name C and segid A ) 1.0 -65.4 20.0 2
assign (resid 18 and name N and segid A ) (resid 18 and name CA and segid A )
(resid 18 and name C and segid A ) (resid 19 and name N and segid A ) 1.0 -40.1 20.0 2
! 19 H -67.345 -39.981 4.938 5.586 0.151 0.894 25 12 Strong
assign (resid 18 and name C and segid A ) (resid 19 and name N and segid A )
(resid 19 and name CA and segid A ) (resid 19 and name C and segid A ) 1.0 -67.3 20.0 2
assign (resid 19 and name N and segid A ) (resid 19 and name CA and segid A )
(resid 19 and name C and segid A ) (resid 20 and name N and segid A ) 1.0 -40.0 20.0 2
! 20 F -68.154 -37.986 4.580 5.788 0.147 0.904 25 12 Strong
assign (resid 19 and name C and segid A ) (resid 20 and name N and segid A )
(resid 20 and name CA and segid A ) (resid 20 and name C and segid A ) 1.0 -68.2 20.0 2
assign (resid 20 and name N and segid A ) (resid 20 and name CA and segid A )
(resid 20 and name C and segid A ) (resid 21 and name N and segid A ) 1.0 -38.0 20.0 2
! 21 M -64.346 -41.737 3.603 4.840 0.157 0.905 25 12 Strong
assign (resid 20 and name C and segid A ) (resid 21 and name N and segid A )
(resid 21 and name CA and segid A ) (resid 21 and name C and segid A ) 1.0 -64.3 20.0 2
assign (resid 21 and name N and segid A ) (resid 21 and name CA and segid A )
(resid 21 and name C and segid A ) (resid 22 and name N and segid A ) 1.0 -41.7 20.0 2
! 22 A -64.298 -37.696 5.053 5.182 0.149 0.903 25 12 Strong
assign (resid 21 and name C and segid A ) (resid 22 and name N and segid A )
(resid 22 and name CA and segid A ) (resid 22 and name C and segid A ) 1.0 -64.3 20.0 2
assign (resid 22 and name N and segid A ) (resid 22 and name CA and segid A )
(resid 22 and name C and segid A ) (resid 23 and name N and segid A ) 1.0 -37.7 20.0 2
! 23 W -64.018 -42.866 5.882 6.641 0.144 0.908 25 12 Strong
assign (resid 22 and name C and segid A ) (resid 23 and name N and segid A )
(resid 23 and name CA and segid A ) (resid 23 and name C and segid A ) 1.0 -64.0 20.0 2
assign (resid 23 and name N and segid A ) (resid 23 and name CA and segid A )
(resid 23 and name C and segid A ) (resid 24 and name N and segid A ) 1.0 -42.9 20.0 2
! 24 T -66.286 -39.115 3.373 5.352 0.138 0.909 25 12 Strong
assign (resid 23 and name C and segid A ) (resid 24 and name N and segid A )
(resid 24 and name CA and segid A ) (resid 24 and name C and segid A ) 1.0 -66.3 20.0 2
assign (resid 24 and name N and segid A ) (resid 24 and name CA and segid A )
(resid 24 and name C and segid A ) (resid 25 and name N and segid A ) 1.0 -39.1 20.0 2
! 25 I -65.277 -38.743 4.978 5.048 0.132 0.913 25 11 Strong
assign (resid 24 and name C and segid A ) (resid 25 and name N and segid A )
(resid 25 and name CA and segid A ) (resid 25 and name C and segid A ) 1.0 -65.3 20.0 2
assign (resid 25 and name N and segid A ) (resid 25 and name CA and segid A )
(resid 25 and name C and segid A ) (resid 26 and name N and segid A ) 1.0 -38.7 20.0 2
! 26 G -61.876 -39.677 4.193 5.760 0.166 0.913 25 11 Strong
assign (resid 25 and name C and segid A ) (resid 26 and name N and segid A )
(resid 26 and name CA and segid A ) (resid 26 and name C and segid A ) 1.0 -61.9 20.0 2
assign (resid 26 and name N and segid A ) (resid 26 and name CA and segid A )
(resid 26 and name C and segid A ) (resid 27 and name N and segid A ) 1.0 -39.7 20.0 2
! 27 H -67.900 -38.563 5.490 6.555 0.197 0.910 25 9 Strong
assign (resid 26 and name C and segid A ) (resid 27 and name N and segid A )
(resid 27 and name CA and segid A ) (resid 27 and name C and segid A ) 1.0 -67.9 20.0 2
assign (resid 27 and name N and segid A ) (resid 27 and name CA and segid A )
(resid 27 and name C and segid A ) (resid 28 and name N and segid A ) 1.0 -38.6 20.0 2
! 28 L -65.307 -32.504 4.888 6.443 0.242 0.851 25 10 Strong
assign (resid 27 and name C and segid A ) (resid 28 and name N and segid A )
(resid 28 and name CA and segid A ) (resid 28 and name C and segid A ) 1.0 -65.3 20.0 2
assign (resid 28 and name N and segid A ) (resid 28 and name CA and segid A )
(resid 28 and name C and segid A ) (resid 29 and name N and segid A ) 1.0 -32.5 20.0 2
# Restraints file 4: bm2dihB.tbl
! 3 E -70.453 145.080 15.557 18.170 0.796 0.758 25 10 Strong
assign (resid 2 and name C and segid B ) (resid 3 and name N and segid B )
(resid 3 and name CA and segid B ) (resid 3 and name C and segid B ) 1.0 -70.5 31.1 2
assign (resid 3 and name N and segid B ) (resid 3 and name CA and segid B )
(resid 3 and name C and segid B ) (resid 4 and name N and segid B ) 1.0 145.1 36.3 2
! 4 P -53.961 -37.594 4.433 6.240 0.570 0.779 25 11 Strong
assign (resid 3 and name C and segid B ) (resid 4 and name N and segid B )
(resid 4 and name CA and segid B ) (resid 4 and name C and segid B ) 1.0 -54.0 20.0 2
assign (resid 4 and name N and segid B ) (resid 4 and name CA and segid B )
(resid 4 and name C and segid B ) (resid 5 and name N and segid B ) 1.0 -37.6 20.0 2
! 5 F -67.180 -29.371 7.956 14.409 0.534 0.793 25 9 Strong
assign (resid 4 and name C and segid B ) (resid 5 and name N and segid B )
(resid 5 and name CA and segid B ) (resid 5 and name C and segid B ) 1.0 -67.2 20.0 2
assign (resid 5 and name N and segid B ) (resid 5 and name CA and segid B )
(resid 5 and name C and segid B ) (resid 6 and name N and segid B ) 1.0 -29.4 28.8 2
! 7 I -63.654 -38.213 6.512 5.727 0.286 0.867 25 10 Strong
assign (resid 6 and name C and segid B ) (resid 7 and name N and segid B )
(resid 7 and name CA and segid B ) (resid 7 and name C and segid B ) 1.0 -63.7 20.0 2
assign (resid 7 and name N and segid B ) (resid 7 and name CA and segid B )
(resid 7 and name C and segid B ) (resid 8 and name N and segid B ) 1.0 -38.2 20.0 2
! 8 L -64.718 -37.705 4.595 5.856 0.233 0.902 25 12 Strong
assign (resid 7 and name C and segid B ) (resid 8 and name N and segid B )
(resid 8 and name CA and segid B ) (resid 8 and name C and segid B ) 1.0 -64.7 20.0 2
assign (resid 8 and name N and segid B ) (resid 8 and name CA and segid B )
(resid 8 and name C and segid B ) (resid 9 and name N and segid B ) 1.0 -37.7 20.0 2
! 9 S -65.261 -35.975 5.233 5.639 0.180 0.919 25 12 Strong
assign (resid 8 and name C and segid B ) (resid 9 and name N and segid B )
(resid 9 and name CA and segid B ) (resid 9 and name C and segid B ) 1.0 -65.3 20.0 2
assign (resid 9 and name N and segid B ) (resid 9 and name CA and segid B )
(resid 9 and name C and segid B ) (resid 10 and name N and segid B ) 1.0 -36.0 20.0 2
! 10 I -64.717 -41.016 4.608 4.463 0.140 0.926 25 12 Strong
assign (resid 9 and name C and segid B ) (resid 10 and name N and segid B )
(resid 10 and name CA and segid B ) (resid 10 and name C and segid B ) 1.0 -64.7 20.0 2
assign (resid 10 and name N and segid B ) (resid 10 and name CA and segid B )
(resid 10 and name C and segid B ) (resid 11 and name N and segid B ) 1.0 -41.0 20.0 2
! 11 C -62.839 -40.076 3.981 4.079 0.139 0.930 25 12 Strong
assign (resid 10 and name C and segid B ) (resid 11 and name N and segid B )
(resid 11 and name CA and segid B ) (resid 11 and name C and segid B ) 1.0 -62.8 20.0 2
assign (resid 11 and name N and segid B ) (resid 11 and name CA and segid B )
(resid 11 and name C and segid B ) (resid 12 and name N and segid B ) 1.0 -40.1 20.0 2
! 12 S -65.336 -38.099 4.902 5.634 0.113 0.926 25 12 Strong
assign (resid 11 and name C and segid B ) (resid 12 and name N and segid B )
(resid 12 and name CA and segid B ) (resid 12 and name C and segid B ) 1.0 -65.3 20.0 2
assign (resid 12 and name N and segid B ) (resid 12 and name CA and segid B )
(resid 12 and name C and segid B ) (resid 13 and name N and segid B ) 1.0 -38.1 20.0 2
! 13 F -64.651 -39.747 4.581 4.394 0.098 0.922 25 12 Strong
assign (resid 12 and name C and segid B ) (resid 13 and name N and segid B )
(resid 13 and name CA and segid B ) (resid 13 and name C and segid B ) 1.0 -64.7 20.0 2
assign (resid 13 and name N and segid B ) (resid 13 and name CA and segid B )
(resid 13 and name C and segid B ) (resid 14 and name N and segid B ) 1.0 -39.7 20.0 2
! 14 I -64.732 -41.290 5.387 5.528 0.098 0.917 25 12 Strong
assign (resid 13 and name C and segid B ) (resid 14 and name N and segid B )
(resid 14 and name CA and segid B ) (resid 14 and name C and segid B ) 1.0 -64.7 20.0 2
assign (resid 14 and name N and segid B ) (resid 14 and name CA and segid B )
(resid 14 and name C and segid B ) (resid 15 and name N and segid B ) 1.0 -41.3 20.0 2
! 15 L -64.693 -35.309 5.244 5.958 0.083 0.906 25 12 Strong
assign (resid 14 and name C and segid B ) (resid 15 and name N and segid B )
(resid 15 and name CA and segid B ) (resid 15 and name C and segid B ) 1.0 -64.7 20.0 2
assign (resid 15 and name N and segid B ) (resid 15 and name CA and segid B )
(resid 15 and name C and segid B ) (resid 16 and name N and segid B ) 1.0 -35.3 20.0 2
! 16 S -67.376 -37.031 5.161 3.982 0.102 0.886 25 12 Strong
assign (resid 15 and name C and segid B ) (resid 16 and name N and segid B )
(resid 16 and name CA and segid B ) (resid 16 and name C and segid B ) 1.0 -67.4 20.0 2
assign (resid 16 and name N and segid B ) (resid 16 and name CA and segid B )
(resid 16 and name C and segid B ) (resid 17 and name N and segid B ) 1.0 -37.0 20.0 2
! 17 A -64.866 -39.632 4.263 4.603 0.111 0.873 25 12 Strong
assign (resid 16 and name C and segid B ) (resid 17 and name N and segid B )
(resid 17 and name CA and segid B ) (resid 17 and name C and segid B ) 1.0 -64.9 20.0 2
assign (resid 17 and name N and segid B ) (resid 17 and name CA and segid B )
(resid 17 and name C and segid B ) (resid 18 and name N and segid B ) 1.0 -39.6 20.0 2
! 18 L -65.372 -40.053 4.112 5.662 0.134 0.877 25 12 Strong
assign (resid 17 and name C and segid B ) (resid 18 and name N and segid B )
(resid 18 and name CA and segid B ) (resid 18 and name C and segid B ) 1.0 -65.4 20.0 2
assign (resid 18 and name N and segid B ) (resid 18 and name CA and segid B )
(resid 18 and name C and segid B ) (resid 19 and name N and segid B ) 1.0 -40.1 20.0 2
! 19 H -67.345 -39.981 4.938 5.586 0.151 0.894 25 12 Strong
assign (resid 18 and name C and segid B ) (resid 19 and name N and segid B )
(resid 19 and name CA and segid B ) (resid 19 and name C and segid B ) 1.0 -67.3 20.0 2
assign (resid 19 and name N and segid B ) (resid 19 and name CA and segid B )
(resid 19 and name C and segid B ) (resid 20 and name N and segid B ) 1.0 -40.0 20.0 2
! 20 F -68.154 -37.986 4.580 5.788 0.147 0.904 25 12 Strong
assign (resid 19 and name C and segid B ) (resid 20 and name N and segid B )
(resid 20 and name CA and segid B ) (resid 20 and name C and segid B ) 1.0 -68.2 20.0 2
assign (resid 20 and name N and segid B ) (resid 20 and name CA and segid B )
(resid 20 and name C and segid B ) (resid 21 and name N and segid B ) 1.0 -38.0 20.0 2
! 21 M -64.346 -41.737 3.603 4.840 0.157 0.905 25 12 Strong
assign (resid 20 and name C and segid B ) (resid 21 and name N and segid B )
(resid 21 and name CA and segid B ) (resid 21 and name C and segid B ) 1.0 -64.3 20.0 2
assign (resid 21 and name N and segid B ) (resid 21 and name CA and segid B )
(resid 21 and name C and segid B ) (resid 22 and name N and segid B ) 1.0 -41.7 20.0 2
! 22 A -64.298 -37.696 5.053 5.182 0.149 0.903 25 12 Strong
assign (resid 21 and name C and segid B ) (resid 22 and name N and segid B )
(resid 22 and name CA and segid B ) (resid 22 and name C and segid B ) 1.0 -64.3 20.0 2
assign (resid 22 and name N and segid B ) (resid 22 and name CA and segid B )
(resid 22 and name C and segid B ) (resid 23 and name N and segid B ) 1.0 -37.7 20.0 2
! 23 W -64.018 -42.866 5.882 6.641 0.144 0.908 25 12 Strong
assign (resid 22 and name C and segid B ) (resid 23 and name N and segid B )
(resid 23 and name CA and segid B ) (resid 23 and name C and segid B ) 1.0 -64.0 20.0 2
assign (resid 23 and name N and segid B ) (resid 23 and name CA and segid B )
(resid 23 and name C and segid B ) (resid 24 and name N and segid B ) 1.0 -42.9 20.0 2
! 24 T -66.286 -39.115 3.373 5.352 0.138 0.909 25 12 Strong
assign (resid 23 and name C and segid B ) (resid 24 and name N and segid B )
(resid 24 and name CA and segid B ) (resid 24 and name C and segid B ) 1.0 -66.3 20.0 2
assign (resid 24 and name N and segid B ) (resid 24 and name CA and segid B )
(resid 24 and name C and segid B ) (resid 25 and name N and segid B ) 1.0 -39.1 20.0 2
! 25 I -65.277 -38.743 4.978 5.048 0.132 0.913 25 11 Strong
assign (resid 24 and name C and segid B ) (resid 25 and name N and segid B )
(resid 25 and name CA and segid B ) (resid 25 and name C and segid B ) 1.0 -65.3 20.0 2
assign (resid 25 and name N and segid B ) (resid 25 and name CA and segid B )
(resid 25 and name C and segid B ) (resid 26 and name N and segid B ) 1.0 -38.7 20.0 2
! 26 G -61.876 -39.677 4.193 5.760 0.166 0.913 25 11 Strong
assign (resid 25 and name C and segid B ) (resid 26 and name N and segid B )
(resid 26 and name CA and segid B ) (resid 26 and name C and segid B ) 1.0 -61.9 20.0 2
assign (resid 26 and name N and segid B ) (resid 26 and name CA and segid B )
(resid 26 and name C and segid B ) (resid 27 and name N and segid B ) 1.0 -39.7 20.0 2
! 27 H -67.900 -38.563 5.490 6.555 0.197 0.910 25 9 Strong
assign (resid 26 and name C and segid B ) (resid 27 and name N and segid B )
(resid 27 and name CA and segid B ) (resid 27 and name C and segid B ) 1.0 -67.9 20.0 2
assign (resid 27 and name N and segid B ) (resid 27 and name CA and segid B )
(resid 27 and name C and segid B ) (resid 28 and name N and segid B ) 1.0 -38.6 20.0 2
! 28 L -65.307 -32.504 4.888 6.443 0.242 0.851 25 10 Strong
assign (resid 27 and name C and segid B ) (resid 28 and name N and segid B )
(resid 28 and name CA and segid B ) (resid 28 and name C and segid B ) 1.0 -65.3 20.0 2
assign (resid 28 and name N and segid B ) (resid 28 and name CA and segid B )
(resid 28 and name C and segid B ) (resid 29 and name N and segid B ) 1.0 -32.5 20.0 2
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