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
578374 2mp2 19961 cing 1-original 3 XPLOR/CNS distance NOE ambi


# Ambiguous inter-molecular restraints
!
! HADDOCK AIR restraints for 1st molecule
!
!
assign ( resid 4  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 6  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 8  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 20  and segid A and name O )
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 22  and segid A and name HN)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
assign ( resid 22  and segid A and name O)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 24  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 25  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 26  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 35  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 39  and segid A)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 2nd molecule
!
!
assign ( resid 14  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 16  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 18  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 30  and segid B and name O)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 32  and segid B and name HN )
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
assign ( resid 32  and segid B and name O )
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 34  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 35  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 36  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 45  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
assign ( resid 49  and segid B)
       (
        ( resid 7  and segid C)
     or
        ( resid 8  and segid C)
     or
        ( resid 9  and segid C)
     or
        ( resid 10  and segid C)
     or
        ( resid 19  and segid C)
     or
        ( resid 20  and segid C)
     or
        ( resid 21  and segid C)
     or
        ( resid 22  and segid C)
     or
        ( resid 6  and segid C)
     or
        ( resid 11  and segid C)
     or
        ( resid 18  and segid C)
     or
        ( resid 23  and segid C)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 3rd molecule
!
!
assign ( resid 7  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 8  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 9  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  4.0 4.0 0.0
!
assign ( resid 10  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 19  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 20  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 21  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  4.0 4.0 0.0
!
assign ( resid 22  and segid C)
       (
        ( resid 4  and segid A)
     or
        ( resid 6  and segid A)
     or
        ( resid 8  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 3  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 14  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 45  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 41  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 48  and segid B)
       )  2.0 2.0 0.0


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

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