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
471143 2kx5 16941 cing 1-original 1 XPLOR/CNS distance NOE ambi


!H2O

!G18
assign (residue 18 and name H1) (residue 19 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 18 and name H1) (residue 43 and name H1) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 18 and name H1) (residue 44 and name H1') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 18 and name H1) (residue 44 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 18 and name H1) (residue 44 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 18 and name H1) (residue 44 and name HN'') 5.0 3.0 2.0 !80ms 600MHz

!G21
assign (residue 21 and name H1) (residue 20 and name HN') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 21 and name H1) (residue 22 and name H1') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 21 and name H1) (residue 22 and name H2) 3.5 1.5 1.5 !80ms 600MHz
assign (residue 21 and name H1) (residue 40 and name H3) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 21 and name H1) (residue 40 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 21 and name H1) (residue 41 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 21 and name H1) (residue 41 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 21 and name H1) (residue 41 and name HN'') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 21 and name H1) (residue 42 and name H3) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 21 and name H1) (residue 42 and name H5) 5.0 3.0 2.0 !80ms 600MHz

!U23
assign (residue 23 and name H3) (residue 27 and name HN'') 3.5 1.5 1.5 !80ms 600MHz

!G26
assign (residue 26 and name H1) (residue 27 and name H2) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 26 and name H1) (residue 27 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 26 and name H1) (residue 38 and name H3) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 26 and name H1) (residue 38 and name H5) 5.0 3.0 2.0 !3.5 1.5 1.5 !80ms 600MHz
assign (residue 26 and name H1) (residue 39 and name H6) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 26 and name H1) (residue 39 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 26 and name H1) (residue 39 and name HN'') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 26 and name H1) (residue 40 and name H3) 5.0 3.0 2.0 !80ms 600MHz

!G28
assign (residue 28 and name H1) (residue 27 and name H2) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 27 and name HN') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 29 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 29 and name H6) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 36 and name H1) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 37 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 28 and name H1) (residue 37 and name HN'') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 28 and name H1) (residue 38 and name H1') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 38 and name H3) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 28 and name H1) (residue 38 and name H5) 5.0 3.0 2.0 !80ms 600MHz

!G36
assign (residue 36 and name H1) (residue 29 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 36 and name H1) (residue 29 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 36 and name H1) (residue 37 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 36 and name H1) (residue 37 and name H1') 5.0 3.0 2.0 !80ms 600MHz

!U38
assign (residue 38 and name H3) (residue 27 and name H2) 3.5 1.5 1.5 !80ms 600MHz
assign (residue 38 and name H3) (residue 27 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 38 and name H3) (residue 37 and name HN') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 38 and name H3) (residue 39 and name H6) 5.0 3.0 2.0 !80ms 600MHz

!U40
assign (residue 40 and name H3) (residue 21 and name HN') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 40 and name H3) (residue 22 and name H1') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 40 and name H3) (residue 22 and name H2) 3.5 1.5 1.5 !80ms 600MHz
assign (residue 40 and name H3) (residue 26 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 40 and name H3) (residue 39 and name HN') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 40 and name H3) (residue 40 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 40 and name H3) (residue 41 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 40 and name H3) (residue 41 and name HN') 5.0 3.0 2.0 !80ms 600MHz

!U42
assign (residue 42 and name H3) (residue 20 and name H2) 3.5 1.5 1.5 !80ms 600MHz
assign (residue 42 and name H3) (residue 20 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 42 and name H3) (residue 20 and name HN'') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 42 and name H3) (residue 42 and name H5) 5.0 3.0 2.0 !80ms 600MHz

!G43
assign (residue 43 and name H1) (residue 19 and name H5) 5.0 3.0 2.0 !80ms 600MHz
assign (residue 43 and name H1) (residue 19 and name HN') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 43 and name H1) (residue 19 and name HN'') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 43 and name H1) (residue 20 and name H1') 3.5 1.5 1.5 !80ms 600MHz
assign (residue 43 and name H1) (residue 20 and name HN') 5.0 3.0 2.0 !80ms 600MHz
assign (residue 43 and name H1) (residue 44 and name H1') 5.0 3.0 2.0 !80ms 600MHz

!D2O

!G17
assign (residue 17 and name H1') (residue 17 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 17 and name H2'') (residue 17 and name H1') 3.5 1.2 1.2 !deuterated 80ms

assign (residue 17 and name H1') (residue 18 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 17 and name H2'') (residue 18 and name H8) 2.5 0.7 0.7 !deuterated 80ms
assign (residue 17 and name H2'') (residue 18 and name H1') 3.5 1.2 1.2 !deuterated 200ms
assign (residue 17 and name H8) (residue 18 and name H8) 3.5 1.2 1.2 !deuterated 200ms

!G18
assign (residue 18 and name H1') (residue 18 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 18 and name H2'') (residue 18 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 18 and name H3') (residue 18 and name H1') 3.5 1.2 1.2 !2.5 0.7 0.7 !100ms 600

assign (residue 18 and name H2'') (residue 19 and name H5) 4.5 1.6 1.6 !100ms 600
assign (residue 18 and name H2'') (residue 19 and name H6) 2.5 0.7 0.7 !deuterated 200ms
assign (residue 18 and name H3') (residue 19 and name H5) 3.5 1.2 1.2 !100ms 600
assign (residue 18 and name H1') (residue 19 and name H1') 4.5 1.6 1.6 !deuterated 200ms

!C19
assign (residue 19 and name H1') (residue 19 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 19 and name H2'') (residue 19 and name H1') 2.5 0.7 0.7 !deuterated 80ms

assign (residue 19 and name H1') (residue 20 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 19 and name H2'') (residue 20 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 19 and name H2'') (residue 20 and name H8) 2.5 0.7 0.7 !deuterated 200ms
assign (residue 19 and name H1') (residue 20 and name H1') 4.5 1.6 1.6 !deuterated 200ms



!A20
assign (residue 20 and name H1') (residue 20 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 20 and name H2'') (residue 20 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 20 and name H2) (residue 20 and name H1') 4.5 1.6 1.6 !deuterated 200ms
assign (residue 20 and name H2) (residue 20 and name H2'') 4.5 1.6 1.6 !deuterated 200ms

assign (residue 20 and name H1') (residue 21 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 20 and name H1') (residue 21 and name H1') 4.5 1.6 1.6 !deuterated 200ms
assign (residue 20 and name H2'') (residue 21 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 20 and name H2'') (residue 21 and name H8) 2.5 0.7 0.7 !deuterated 80ms
assign (residue 20 and name H2) (residue 21 and name H1') 3.5 1.2 1.2 !deuterated 80ms
assign (residue 20 and name H2) (residue 21 and name H2'') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 20 and name H2) (residue 21 and name H8) 3.5 1.2 1.2 !deuterated 200ms


assign (residue 20 and name H2) (residue 43 and name H1') 4.5 1.6 1.6 !deuterated 80ms


!G21
assign (residue 21 and name H1') (residue 21 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 21 and name H2'') (residue 21 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 21 and name H2'') (residue 21 and name H8) 4.5 1.6 1.6 !deuterated 80ms


assign (residue 21 and name H1') (residue 22 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 21 and name H2'') (residue 22 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 21 and name H2'') (residue 22 and name H8) 2.5 0.7 0.7 !deuterated 200ms
assign (residue 21 and name H8) (residue 22 and name H8) 4.5 1.6 1.6 !deuterated 200ms

!A22

assign (residue 22 and name H1') (residue 22 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 22 and name H2'') (residue 22 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 22 and name H2) (residue 22 and name H1') 4.5 1.6 1.6 !deuterated 200ms
assign (residue 22 and name H2) (residue 22 and name H2'') 3.5 1.2 1.2 !deuterated 200ms

assign (residue 22 and name H1') (residue 26 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 22 and name H2'') (residue 26 and name H8) 3.5 1.2 1.2 !deuterated 200ms
assign (residue 22 and name H2) (residue 26 and name H8) 4.5 1.6 1.6 !deuterated 200ms

assign (residue 22 and name H2) (residue 41 and name H1') 3.5 1.2 1.2 !deuterated 80ms

!U23
assign (residue 23 and name H1') (residue 23 and name H6) 4.5 1.6 1.6 !2.5 0.7 0.7 !deuterated 80ms
assign (residue 23 and name H2'') (residue 23 and name H1') 3.5 1.2 1.2 !deuterated 80ms
assign (residue 23 and name H2'') (residue 23 and name H6) 2.5 0.7 0.7 !deuterated 200ms

assign (residue 23 and name H1') (residue 26 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 23 and name H1') (residue 26 and name H3') 3.5 1.2 1.2 !100ms 600


!C24
assign (residue 24 and name H1') (residue 24 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 24 and name H2'') (residue 24 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 24 and name H2'') (residue 24 and name H6) 2.5 0.7 0.7 !deuterated 200ms

assign (residue 24 and name H2'') (residue 25 and name H5) 3.5 1.2 1.2 !100ms 600

!U25

assign (residue 25 and name H1') (residue 25 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 25 and name H2'') (residue 25 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 25 and name H2'') (residue 25 and name H6) 3.5 1.2 1.2!2.5 0.7 0.7 !deuterated 200ms

assign (residue 25 and name H2'') (residue 26 and name H8) 5.0 3.0 2.0!3.5 1.2 1.2 !deuterated 80ms


!G26
assign (residue 26 and name H1') (residue 26 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 26 and name H2'') (residue 26 and name H1') 3.5 1.2 1.2 !deuterated 80ms

assign (residue 26 and name H1') (residue 27 and name H8) 4.5 1.6 1.6 !deuterated 200ms
assign (residue 26 and name H2'') (residue 27 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 26 and name H3') (residue 27 and name H8) 4.5 1.6 1.6 !2.5 0.7 0.7 !100ms 600


!A27
assign (residue 27 and name H1') (residue 27 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 27 and name H2'') (residue 27 and name H1') 4.5 1.6 1.6 !deuterated 80ms

assign (residue 27 and name H1') (residue 28 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 27 and name H2'') (residue 28 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 27 and name H2) (residue 28 and name H1') 4.5 1.6 1.6 !deuterated 80ms


assign (residue 27 and name H2) (residue 39 and name H1') 3.5 1.2 1.2 !deuterated 80ms
assign (residue 27 and name H2) (residue 39 and name H2'') 4.5 1.6 1.6 !deuterated 200ms

!G28
assign (residue 28 and name H1') (residue 28 and name H8) 4.5 1.6 1.6 !3.5 1.2 1.2 !deuterated 80ms
assign (residue 28 and name H2'') (residue 28 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 28 and name H2'') (residue 28 and name H1') 2.5 0.7 0.7 !deuterated 200ms
assign (residue 28 and name H2'') (residue 28 and name H1') 3.5 1.2 1.2 !100ms 600

assign (residue 28 and name H1') (residue 29 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 28 and name H1') (residue 29 and name H6) 3.5 1.2 1.2 !deuterated 200ms
assign (residue 28 and name H1') (residue 29 and name H1') 4.5 1.6 1.6 !deuterated 200ms
assign (residue 28 and name H2'') (residue 29 and name H5) 4.5 1.6 1.6 !100ms 600
assign (residue 28 and name H2'') (residue 29 and name H6) 2.5 0.7 0.7 !deuterated 200ms

!C29
assign (residue 29 and name H1') (residue 29 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 29 and name H2'') (residue 29 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 29 and name H2'') (residue 29 and name H6) 3.5 1.2 1.2 !deuterated 200ms


assign (residue 29 and name H2'') (residue 30 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 29 and name H2'') (residue 30 and name H6) 2.5 0.7 0.7 !deuterated 200ms
assign (residue 29 and name H6) (residue 30 and name H5) 4.5 1.6 1.6 !100ms 600

!C30
assign (residue 30 and name H1') (residue 30 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 30 and name H2'') (residue 30 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 30 and name H2'') (residue 30 and name H6) 3.5 1.2 1.2 !deuterated 80ms


assign (residue 30 and name H1') (residue 31 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 30 and name H2'') (residue 31 and name H1') 4.5 1.6 1.6 !deuterated 80ms

!U31
assign (residue 31 and name H1') (residue 31 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 31 and name H2'') (residue 31 and name H1') 3.5 1.2 1.2 !deuterated 80ms
assign (residue 31 and name H2'') (residue 31 and name H6) 4.5 2.5 1.6 !deuterated 200ms

assign (residue 31 and name H2'') (residue 32 and name H8) 3.5 1.5 1.5 !4.5 1.6 1.6 !deuterated 80ms


!G32
assign (residue 32 and name H1') (residue 32 and name H8) 3.5 1.2 1.2 !2.5 0.7 0.7 !deuterated 80ms

assign (residue 32 and name H1') (residue 33 and name H8) 4.5 1.6 1.6 !2.5 0.7 0.7 !deuterated 80ms

!G33
assign (residue 33 and name H1') (residue 33 and name H8) 4.5 1.6 1.6 !deuterated 80ms

!G34
assign (residue 34 and name H1') (residue 34 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 34 and name H2'') (residue 34 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 34 and name H2'') (residue 34 and name H8) 2.5 0.7 0.7 !deuterated 80ms
assign (residue 34 and name H1') (residue 35 and name H8) 5.0 3.0 2.0!3.5 1.2 1.2 !deuterated 80ms


!A35
assign (residue 35 and name H1') (residue 35 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 35 and name H2'') (residue 35 and name H1') 2.5 0.7 0.7 !deuterated 200ms
assign (residue 35 and name H2) (residue 35 and name H1') 4.5 1.6 1.6 !deuterated 80ms

!G36
assign (residue 36 and name H1') (residue 36 and name H8) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 36 and name H2'') (residue 36 and name H1') 3.5 1.2 1.2 !deuterated 80ms


assign (residue 36 and name H1') (residue 37 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 36 and name H2'') (residue 37 and name H6) 2.5 0.7 0.7 !deuterated 200ms


!C37
assign (residue 37 and name H1') (residue 37 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 37 and name H2'') (residue 37 and name H1') 3.5 1.2 1.2 !deuterated 80ms

assign (residue 37 and name H1') (residue 38 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 37 and name H2'') (residue 38 and name H1') 3.5 1.2 1.2 !deuterated 80ms
assign (residue 37 and name H2'') (residue 38 and name H6) 2.5 0.7 0.7 !deuterated 200ms

!U38
assign (residue 38 and name H1') (residue 38 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 38 and name H2'') (residue 38 and name H1') 3.5 1.2 1.2 !deuterated 80ms


assign (residue 38 and name H2'') (residue 39 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 38 and name H2'') (residue 39 and name H6) 4.5 1.6 1.6 !deuterated 200ms

!C39

assign (residue 39 and name H1') (residue 39 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 39 and name H2'') (residue 39 and name H1') 3.5 1.2 1.2 !deuterated 80ms
assign (residue 39 and name H2'') (residue 39 and name H5) 3.5 1.2 1.2 !100ms 600
assign (residue 39 and name H2'') (residue 39 and name H6) 4.5 1.6 1.6 !deuterated 200ms
assign (residue 39 and name H3') (residue 39 and name H1') 4.5 1.6 1.6 !100ms 600
assign (residue 39 and name H3') (residue 39 and name H6) 3.5 1.2 1.2 !100ms 600

assign (residue 39 and name H1') (residue 40 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 39 and name H2'') (residue 40 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 39 and name H2'') (residue 40 and name H5) 3.5 1.2 1.2 !100ms 600
assign (residue 39 and name H2'') (residue 40 and name H6) 2.5 0.7 0.7 !deuterated 200ms
assign (residue 39 and name H3') (residue 40 and name H5) 3.5 1.2 1.2 !100ms 600
assign (residue 39 and name H3') (residue 40 and name H6) 3.5 1.2 1.2 !100ms 600
assign (residue 39 and name H6) (residue 40 and name H5) 4.5 1.6 1.6 !100ms 600
assign (residue 39 and name H6) (residue 40 and name H6) 4.5 1.6 1.6 !deuterated 200ms

!U40
assign (residue 40 and name H1') (residue 40 and name H6) 3.5 1.2 1.2 !deuterated
assign (residue 40 and name H2'') (residue 40 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 40 and name H2'') (residue 40 and name H6)  4.5 1.6 1.6 !deuterated 80ms

assign (residue 40 and name H1') (residue 41 and name H6) 4.5 1.6 1.6 !deuterated
assign (residue 40 and name H2'') (residue 41 and name H5) 2.5 0.7 0.7 !100ms 600
assign (residue 40 and name H2'') (residue 41 and name H6) 2.5 0.7 0.7 !deuterated 200ms


!C41
assign (residue 41 and name H1') (residue 41 and name H6) 3.5 1.2 1.2 !deuterated
assign (residue 41 and name H2'') (residue 41 and name H1') 2.5 0.7 0.7 !deuterated 80ms

assign (residue 41 and name H1') (residue 42 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 41 and name H2'') (residue 42 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 41 and name H2'') (residue 42 and name H5) 4.5 1.6 1.6 !100ms 600
assign (residue 41 and name H2'') (residue 42 and name H6) 2.5 0.7 0.7 !deuterated 200ms

!U42
assign (residue 42 and name H1') (residue 42 and name H6) 4.5 1.6 1.6 !deuterated
assign (residue 42 and name H2'') (residue 42 and name H1') 2.5 0.7 0.7 !deuterated 80ms

assign (residue 42 and name H1') (residue 43 and name H8) 4.5 1.6 1.6 !deuterated
assign (residue 42 and name H2'') (residue 43 and name H1') 3.5 1.2 1.2 !2.5 0.7 0.7 !deuterated 80ms
assign (residue 42 and name H2'') (residue 43 and name H8) 2.5 0.7 0.7 !deuterated 200ms

!G43
assign (residue 43 and name H1') (residue 43 and name H8) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 43 and name H2'') (residue 43 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 43 and name H2'') (residue 43 and name H8) 3.5 1.2 1.2 !deuterated 200ms
assign (residue 43 and name H3') (residue 43 and name H1') 3.5 1.2 1.2 !2.5 0.7 0.7 !100ms 600

assign (residue 43 and name H1') (residue 44 and name H6) 4.5 1.6 1.6 !deuterated 80ms
assign (residue 43 and name H2'') (residue 44 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 43 and name H2'') (residue 44 and name H6) 2.5 0.7 0.7 !deuterated 200ms
assign (residue 43 and name H3') (residue 44 and name H5) 4.5 1.6 1.6 !100ms 600


!C44
assign (residue 44 and name H1') (residue 44 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 44 and name H2'') (residue 44 and name H1') 2.5 0.7 0.7 !deuterated 80ms
assign (residue 44 and name H2'') (residue 44 and name H6) 3.5 1.2 1.2 !deuterated 200ms

assign (residue 44 and name H1') (residue 45 and name H6) 3.5 1.2 1.2 !deuterated 80ms
assign (residue 44 and name H2'') (residue 45 and name H1') 4.5 1.6 1.6 !deuterated 80ms
assign (residue 44 and name H2'') (residue 45 and name H6) 2.5 0.7 0.7 !deuterated 200ms

!C45
assign (residue 45 and name H1') (residue 45 and name H6) 3.5 1.2 1.2 !deuterated
assign (residue 45 and name H2'') (residue 45 and name H1') 2.5 0.7 0.7 !deuterated
assign (residue 45 and name H2'') (residue 45 and name H6) 3.5 1.2 1.2 !deuterated

!R1
assign (residue 1 and name HA) (residue 1 and name HD1) 4.0 2.0 1.5
assign (residue 1 and name HA) (residue 1 and name HD2) 4.0 2.0 1.5
assign (residue 1 and name HA) (residue 1 and name HG*) 4.0 2.0 1.5
assign (residue 1 and name HA) (residue 1 and name HH1*) 4.5 2.5 1.5
assign (residue 1 and name HA) (residue 1 and name HN) 4.5 2.5 1.5
assign ((residue 1 and name HB1) or (residue 1 and name HB2)) (residue 1 and name HN) 3.0 1.2 1.2
assign ((residue 1 and name HB1) or (residue 1 and name HB2)) (residue 1 and name HA) 3.0 1.2 1.2
assign ((residue 1 and name HB1) or (residue 1 and name HB2)) (residue 1 and name HD1) 3.0 1.2 1.2
assign ((residue 1 and name HB1) or (residue 1 and name HB2)) (residue 1 and name HD2) 3.0 1.2 1.2
assign ((residue 1 and name HG1) or (residue 1 and name HG2)) (residue 1 and name HN) 3.0 1.2 1.2
assign ((residue 1 and name HG1) or (residue 1 and name HG2)) (residue 1 and name HD1) 3.0 1.2 1.2
assign ((residue 1 and name HG1) or (residue 1 and name HG2)) (residue 1 and name HD2) 3.0 1.2 1.2
assign ((residue 1 and name HB1) or (residue 1 and name HB2)) (residue 1 and name HN) 3.0 2.0 1.4
assign (residue 1 and name HD2) (residue 1 and name HN) 5.0 3.0 2.0!3.0 2.0 1.4
assign ((residue 1 and name HH1*) or (residue 1 and name HH2*)) (residue 1 and name HN) 5.0 3.0 2.0
assign (residue 1 and name HD1) (residue 1 and name HH1*) 4.5 2.5 1.5
assign (residue 1 and name HD1) (residue 1 and name HH2*) 4.5 2.5 1.5
assign (residue 1 and name HD1) (residue 1 and name HN) 5.0 3.0 2.0!4.5 2.5 1.5
assign ((residue 1 and name HH1*) or (residue 1 and name HH2*)) (residue 1 and name HG*) 2.5 0.7 0.7
assign (residue 1 and name HN) ((residue 1 and name HG1) or (residue 1 and name HG2)) 4.5 2.5 1.5

assign (residue 1 and name HA) (residue 2 and name HN) 3.0 2.0 1.4
assign (residue 1 and name HA) ((residue 2 and name HG1*) or (residue 2 and name HG2*)) 3.0 1.2 1.2
assign ((residue 1 and name HB1) or (residue 1 and name HB2)) (residue 2 and name HN) 3.0 2.0 1.4
assign (residue 1 and name HN) (residue 2 and name HN) 4.5 2.5 1.5
assign (residue 1 and name HG*) (residue 2 and name HN) 3.0 2.0 1.4
assign (residue 1 and name HD1) (residue 2 and name HN) 4.5 2.5 1.5
assign (residue 1 and name HD2) (residue 2 and name HN) 4.5 2.5 1.5
assign (residue 1 and name HH1*) (residue 2 and name HN) 4.5 2.5 1.5

!V2
assign (residue 2 and name HA) (residue 2 and name HB) 3.0 1.2 1.2

assign (residue 2 and name HA) (residue 3 and name HN) 4.5 2.5 1.5

!R3
assign (residue 3 and name HA) (residue 3 and name HN) 3.0 2.0 1.4
assign (residue 3 and name HA) (residue 3 and name HD1) 3.0 1.2 1.2
assign (residue 3 and name HA) (residue 3 and name HD2) 3.0 1.2 1.2
assign ((residue 3 and name HB1) or (residue 3 and name HB2)) (residue 3 and name HD1) 3.0 1.2 1.2
assign ((residue 3 and name HB1) or (residue 3 and name HB2)) (residue 3 and name HD2) 3.0 1.2 1.2
assign (residue 3 and name HG1) ((residue 3 and name HD1) or (residue 3 and name HD2)) 3.0 1.2 1.2
assign (residue 3 and name HG2) ((residue 3 and name HD1) or (residue 3 and name HD2)) 3.0 1.2 1.2

assign (residue 3 and name HA) (residue 4 and name HN) 3.0 2.0 1.4
assign ((residue 3 and name HG1) or (residue 3 and name HG2)) (residue 4 and name HN) 5.0 3.0 2.0
assign ((residue 3 and name HD1) or (residue 3 and name HD2)) (residue 4 and name HN) 5.0 3.0 2.0

!C4
assign (residue 4 and name HA) (residue 4 and name HN) 4.5 2.5 1.5
assign (residue 4 and name HB1) (residue 4 and name HA) 3.0 1.2 1.2
assign (residue 4 and name HB2) (residue 4 and name HA) 3.0 1.2 1.2

assign (residue 4 and name HA) (residue 5 and name HN) 4.5 2.5 1.5
assign (residue 4 and name HB*) (residue 5 and name HG*) 5.0 3.0 2.0
assign (residue 4 and name HN) ((residue 5 and name HG1) or (residue 5 and name HG2)) 5.0 3.0 2.0

!R5
assign (residue 5 and name HA) (residue 5 and name HN) 5.0 3.0 2.0
assign (residue 5 and name HD1) (residue 5 and name HA) 5.0 3.0 2.0
assign (residue 5 and name HD2) (residue 5 and name HA) 5.0 3.0 2.0
assign ((residue 5 and name HB1) or (residue 5 and name HB2)) (residue 5 and name HA) 3.0 1.2 1.2
assign (residue 5 and name HB1) (residue 5 and name HD1) 4.0 2.0 1.5!
assign (residue 5 and name HB1) (residue 5 and name HD2) 3.0 1.2 1.2!
assign (residue 5 and name HB2) (residue 5 and name HD2) 5.0 3.0 2.0!
assign (residue 5 and name HB2) (residue 5 and name HD1) 2.5 0.7 0.7!
assign ((residue 5 and name HG1) or (residue 5 and name HG2)) (residue 5 and name HD1) 3.0 1.2 1.2
assign ((residue 5 and name HG1) or (residue 5 and name HG2)) (residue 5 and name HD2) 3.0 1.2 1.2

assign (residue 5 and name HA) (residue 6 and name HN) 4.5 2.5 1.5

!Q6
assign (residue 6 and name HA) (residue 6 and name HE22) 5.0 3.0 2.0
assign (residue 6 and name HA) (residue 6 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HA) ((residue 6 and name HE22) or (residue 6 and name HE21)) 4.5 2.5 1.5
assign ((residue 6 and name HB1) or (residue 6 and name HB2)) (residue 6 and name HA) 3.0 1.2 1.2
assign ((residue 6 and name HB1) or (residue 6 and name HB2)) (residue 6 and name HN) 4.5 2.5 1.5
assign ((residue 6 and name HB1) or (residue 6 and name HB2))(residue 6 and name HE21) 4.5 2.5 1.5
assign (residue 6 and name HG1) (residue 6 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HG1) (residue 6 and name HE21) 4.5 2.5 1.5
assign (residue 6 and name HG1) (residue 6 and name HE22) 4.5 2.5 1.5
assign (residue 6 and name HG2) (residue 6 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HG2) (residue 6 and name HE21) 4.5 2.5 1.5
assign (residue 6 and name HG2) (residue 6 and name HE22) 4.5 2.5 1.5

assign (residue 6 and name HA) (residue 7 and name HN) 4.5 2.5 1.5
assign ((residue 6 and name HB1) or (residue 6 and name HB2)) (residue 7 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HG1) (residue 7 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HG2) (residue 7 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HE21) (residue 7 and name HN) 4.5 2.5 1.5
assign (residue 6 and name HE22) (residue 7 and name HN) 4.5 2.5 1.5

!R7
assign (residue 7 and name HD1) (residue 7 and name HA) 4.0 2.0 1.5
assign (residue 7 and name HD2) (residue 7 and name HA) 4.0 2.0 1.5
assign (residue 7 and name HA) (residue 7 and name HN) 4.5 2.5 1.5
assign ((residue 7 and name HB1) or (residue 7 and name HB2)) (residue 7 and name HA) 3.0 1.2 1.2
assign ((residue 7 and name HB1) or (residue 7 and name HB2)) (residue 7 and name HD*) 3.0 1.2 1.2
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 7 and name HA) 3.0 1.2 1.2
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 7 and name HD1) 3.0 1.2 1.2
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 7 and name HD2) 3.0 1.2 1.2

assign (residue 7 and name HN) (residue 8 and name HN) 4.5 2.5 1.5
assign (residue 7 and name HA) (residue 8 and name HN) 4.5 2.5 1.5

!K8
assign (residue 8 and name HA) (residue 8 and name HN) 4.5 2.5 1.5

assign (residue 8 and name HA) (residue 9 and name HN) 4.5 2.5 1.5
assign ((residue 8 and name HD1) or (residue 8 and name HD2)) (residue 9 and name HN) 4.5 2.5 1.5

!G9

assign (residue 9 and name HN) (residue 10 and name HN) 4.5 2.5 1.5
assign ((residue 9 and name HA1) or (residue 9 and name HA2)) (residue 10 and name HH1*) 4.5 2.5 1.5
assign (residue 9 and name HA1) (residue 10 and name HN) 3.0 2.0 1.4
assign (residue 9 and name HA2) (residue 10 and name HN) 3.0 2.0 1.4

!R10
assign (residue 10 and name HA) (residue 10 and name HN) 4.5 2.5 1.5
assign (residue 10 and name HA) (residue 10 and name HE) 5.0 3.0 2.0
assign (residue 10 and name HA) (residue 10 and name HH1*) 3.0 2.0 1.4
assign (residue 10 and name HA) (residue 10 and name HH2*) 3.0 2.0 1.4
assign (residue 10 and name HA) (residue 10 and name HB1) 3.0 1.2 1.2
assign (residue 10 and name HA) (residue 10 and name HB2) 3.0 1.2 1.2
assign (residue 10 and name HA) ((residue 10 and name HD1) or (residue 10 and name HD2)) 5.0 3.0 2.0
assign (residue 10 and name HA) ((residue 10 and name HG1) or (residue 10 and name HG2)) 4.0 2.0 1.5
assign (residue 10 and name HB1) ((residue 10 and name HD1) or (residue 10 and name HD2)) 3.0 1.2 1.2
assign (residue 10 and name HB2) ((residue 10 and name HD1) or (residue 10 and name HD2)) 3.0 1.2 1.2
assign (residue 10 and name HB2) ((residue 10 and name HD1) or (residue 10 and name HD2)) 5.0 3.0 2.0
assign (residue 10 and name HB1) ((residue 10 and name HD1) or (residue 10 and name HD2)) 5.0 3.0 2.0
assign (residue 10 and name HG*) ((residue 10 and name HH1*) or (residue 10 and name HH2*)) 2.5 0.7 0.7
assign ((residue 10 and name HD1) or (residue 10 and name HD2)) (residue 10 and name HH2*) 2.5 0.7 0.7

assign (residue 10 and name HA) (residue 11 and name HN) 3.0 1.2 1.2
assign ((residue 10 and name HG1) or (residue 10 and name HG2)) (residue 11 and name HN) 3.0 1.2 1.2


!R11

assign (residue 11 and name HB1) ((residue 11 and name HD1) or (residue 11 and name HD2)) 3.0 1.2 1.2
assign (residue 11 and name HB2) ((residue 11 and name HD1) or (residue 11 and name HD2)) 3.0 1.2 1.2
assign ((residue 11 and name HD1) or (residue 11 and name HD2)) (residue 11 and name HA) 3.0 1.2 1.2
assign ((residue 11 and name HG1) or (residue 11 and name HG2)) (residue 11 and name HD*) 3.0 1.2 1.2
assign ((residue 11 and name HG1) or (residue 11 and name HG2)) (residue 11 and name HN) 3.0 1.2 1.2

assign (residue 11 and name HA) (residue 12 and name HN) 4.5 2.5 1.5

!I12
assign (residue 12 and name HA) (residue 12 and name HB) 2.5 0.7 0.7
assign (residue 12 and name HA) (residue 12 and name HN) 3.0 2.0 1.4
assign (residue 12 and name HB) (residue 12 and name HN) 3.0 2.0 1.4
assign (residue 12 and name HD*) (residue 12 and name HN) 3.0 2.0 1.4
assign (residue 12 and name HG2*) (residue 12 and name HN) 3.0 2.0 1.4

assign (residue 12 and name HA) (residue 13 and name HN) 5.0 3.0 2.0
assign (residue 12 and name HB) (residue 13 and name HN) 5.0 3.0 2.0



!C13
assign (residue 13 and name HA) (residue 13 and name HN) 4.5 2.5 1.5
assign (residue 13 and name HB1) (residue 13 and name HA) 3.0 1.2 1.2
assign (residue 13 and name HB2) (residue 13 and name HA) 3.0 1.2 1.2

assign (residue 13 and name HA) (residue 14 and name HN) 3.0 1.2 1.2
assign (residue 13 and name HB1) (residue 14 and name HN) 3.0 1.2 1.2
assign (residue 13 and name HB2) (residue 14 and name HN) 4.0 2.0 1.5

!I14
assign (residue 14 and name HA) (residue 14 and name HN) 2.5 0.7 0.7
assign (residue 14 and name HB) (residue 14 and name HN) 4.0 2.0 1.5
assign (residue 14 and name HB) (residue 14 and name HA) 3.0 1.2 1.2
assign (residue 14 and name HG11) (residue 14 and name HA) 3.0 1.2 1.2
assign (residue 14 and name HG12) (residue 14 and name HA) 3.0 1.2 1.2
assign ((residue 14 and name HG11) or (residue 14 and name HG12)) (residue 14 and name HN) 3.0 1.2 1.2
assign (residue 14 and name HG2*) (residue 14 and name HN) 3.0 1.2 1.2
assign (residue 14 and name HG2*) (residue 14 and name HA) 3.0 1.2 1.2
assign (residue 14 and name HD*) (residue 14 and name HA) 4.0 2.0 1.5!2.5 0.7 0.7


assign (residue 14 and name HA) (residue 15 and name HN) 3.0 2.0 1.4
assign (residue 14 and name HB) (residue 15 and name HN) 3.0 2.0 1.4
assign (residue 14 and name HG11)(residue 15 and name HN) 4.5 2.5 1.2!3.0 2.0 1.4
assign (residue 14 and name HG2*) (residue 15 and name HN) 3.0 2.0 1.4
assign (residue 14 and name HG12) (residue 15 and name HN) 4.5 2.5 1.5
assign (residue 14 and name HG2*) (residue 15 and name HE) 4.5 2.5 1.5

!R15
assign (residue 15 and name HA) (residue 15 and name HN) 4.0 2.0 1.5
assign (residue 15 and name HA) (residue 15 and name HE) 4.5 2.5 1.5
assign ((residue 15 and name HB1) or (residue 15 and name HB2)) (residue 15 and name HN) 3.0 1.2 1.2
assign (residue 15 and name HD1) (residue 15 and name HN) 4.5 2.5 1.5
assign (residue 15 and name HD2) (residue 15 and name HN) 4.5 2.5 1.5
assign ((residue 15 and name HD1) or (residue 15 and name HD2)) (residue 15 and name HH1*) 4.5 2.5 1.5 !3.0 2.0 1.4 ?which?
assign ((residue 15 and name HD1) or (residue 15 and name HD2)) (residue 15 and name HH2*) 4.5 2.5 1.5
assign (residue 15 and name HD1) (residue 15 and name HE) 3.0 2.0 1.4
assign (residue 15 and name HD2) (residue 15 and name HE) 3.0 2.0 1.4
assign ((residue 15 and name HH1*) or (residue 15 and name HH2*)) (residue 15 and name HE) 3.0 2.0 1.4
assign (residue 15 and name HE) (residue 15 and name HN) 5.0 3.0 2.0

assign (residue 15 and name HA) (residue 16 and name HN) 3.0 2.0 1.4
assign (residue 15 and name HE) (residue 16 and name HA) 4.5 2.5 1.5
assign (residue 15 and name HN) (residue 16 and name HD*) 4.0 2.0 1.5


!I16
assign (residue 16 and name HB) (residue 16 and name HA) 4.0 2.0 1.5
assign ((residue 16 and name HG11) or (residue 16 and name HG12)) (residue 16 and name HA) 3.0 1.2 1.2
assign (residue 16 and name HG2*) (residue 16 and name HA) 3.0 1.2 1.2
assign ((residue 16 and name HG11) or (residue 16 and name HG12)) (residue 16 and name HN) 4.0 2.0 1.5



!P18
assign (residue 18 and name HA) (residue 18 and name HB1) 4.0 2.0 1.5
assign (residue 18 and name HA) (residue 18 and name HB2) 4.0 2.0 1.5
assign (residue 18 and name HA) ((residue 18 and name HD1) or (residue 18 and name HD2)) 3.0 1.2 1.2
assign (residue 18 and name HB1) (residue 18 and name HD1) 4.0 2.0 1.5
assign (residue 18 and name HB1) (residue 18 and name HD2) 4.0 2.0 1.5
assign (residue 18 and name HB2) (residue 18 and name HD1) 4.0 2.0 1.5
assign (residue 18 and name HB2) (residue 18 and name HD2) 4.0 2.0 1.5
assign (residue 18 and name HG1) (residue 18 and name HD2) 3.0 1.2 1.2
assign (residue 18 and name HG1) (residue 18 and name HD1) 3.0 1.2 1.2
assign (residue 18 and name HG2) (residue 18 and name HD1) 3.0 1.2 1.2
assign (residue 18 and name HG2) (residue 18 and name HD2) 3.0 1.2 1.2

assign (residue 17 and name HD1) (residue 18 and name HA) 5.0 3.0 2.0
assign (residue 17 and name HD2) (residue 18 and name HA) 5.0 3.0 2.0
assign ((residue 17 and name HG1) or (residue 17 and name HG2)) (residue 18 and name HA) 5.0 3.0 2.0

!P17
assign (residue 17 and name HA) (residue 1 and name HN) 4.5 2.5 1.5
assign (residue 17 and name HB1) (residue 17 and name HD1) 4.0 2.0 1.5
assign (residue 17 and name HB1) (residue 17 and name HD2) 4.0 2.0 1.5
assign (residue 17 and name HB2) (residue 17 and name HD1) 4.0 2.0 1.5
assign (residue 17 and name HB2) (residue 17 and name HD2) 4.0 2.0 1.5
assign (residue 17 and name HG1) (residue 17 and name HD1) 3.0 1.2 1.2
assign (residue 17 and name HG1) (residue 17 and name HD2) 3.0 1.2 1.2
assign (residue 17 and name HG2) (residue 17 and name HD1) 3.0 1.2 1.2
assign (residue 17 and name HG2) (residue 17 and name HD2) 3.0 1.2 1.2

!Cross-strand 

assign (residue 1 and name HN) (residue 18 and name HG*) 3.0 2.0 1.4
assign (residue 1 and name HN) (residue 18 and name HD1) 4.5 2.5 1.5
assign (residue 1 and name HN) (residue 18 and name HD2) 4.5 2.5 1.5

assign (residue 2 and name HG1*) (residue 13 and name HB1) 3.0 1.2 1.2
assign (residue 2 and name HG1*) (residue 13 and name HB2) 3.0 1.2 1.2
assign (residue 2 and name HG1*) (residue 15 and name HN) 4.0 1.5 1.5
assign (residue 2 and name HG2*) (residue 15 and name HN) 4.0 1.5 1.5
assign (residue 2 and name HG2*) (residue 13 and name HB1) 3.0 1.2 1.2
assign (residue 2 and name HG2*) (residue 13 and name HB2) 4.0 1.5 1.5
assign ((residue 2 and name HG1*) or (residue 2 and name HG2*)) (residue 4 and name HB*) 5.3 3.0 2.0
assign (residue 2 and name HN) (residue 15 and name HA) 5.0 3.0 2.0
assign (residue 2 and name HA) (residue 16 and name HN) 5.0 3.0 2.0

assign ((residue 3 and name HD1)(residue 16 and name HD*)4.0 2.0 1.5
assign ((residue 3 and name HD2)(residue 16 and name HD*)4.0 2.0 1.5

assign (residue 4 and name HA) (residue 13 and name HB1) 4.0 2.0 1.5
assign (residue 4 and name HA) (residue 13 and name HB2) 4.0 2.0 1.5
assign (residue 4 and name HB1) (residue 13 and name HA) 4.0 2.0 1.5
assign (residue 4 and name HB2) (residue 13 and name HA) 4.0 2.0 1.5
assign (residue 4 and name HA) (residue 14 and name HN) 4.5 2.5 1.5

assign (residue 5 and name HN) (residue 13 and name HA) 4.5 2.5 1.5

assign (residue 6 and name HA) (residue 11 and name HA) 3.0 1.2 1.2

assign ((residue 7 and name HB1) or (residue 7 and name HB2)) (residue 10 and name HD*) 5.0 3.0 2.0
assign (residue 7 and name HN) (residue 11 and name HA) 3.0 1.2 1.2

assign (residue 8 and name HA) (residue 10 and name HN) 3.0 2.0 1.4

assign (residue 16 and name HG2*) (residue 17 and name HD2) 4.0 2.0 1.5
assign (residue 16 and name HG2*) (residue 17 and name HD1) 4.0 2.0 1.5

!Intermolecular

!R1


!V2
assign (residue 2 and name HB) (residue 34 and name H1') 4.0 2.0 1.5
assign ((residue 2 and name HG1*) or (residue 2 and name HG2*)) (residue 34 and name H8) 5.0 3.0 2.0
assign (residue 2 and name HG1*) (residue 35 and name H8) 5.0 3.0 2.0
assign (residue 2 and name HG1*) (residue 35 and name H1') 5.0 3.0 2.0
assign (residue 2 and name HG1*) (residue 35 and name H2) 4.0 2.0 1.5
assign (residue 2 and name HG2*) (residue 35 and name H8) 5.0 3.0 2.0
assign (residue 2 and name HG2*) (residue 35 and name H1') 5.0 3.0 2.0
assign (residue 2 and name HG2*) (residue 35 and name H2) 4.0 2.0 1.5
assign ((residue 2 and name HG1*) (residue 2 and name HG2*)) (residue 37 and name H5) 4.0 2.0 1.5

!R3
assign (residue 3 and name HD1) (residue 21 and name H8) 5.0 3.0 2.0
assign (residue 3 and name HD2) (residue 21 and name H8) 5.0 3.0 2.0

!C4


!R5
assign (residue 5 and name HD1) (residue 22 and name H8) 3.0 1.2 1.2
assign (residue 5 and name HD2) (residue 22 and name H8) 3.0 1.2 1.2
assign ((residue 5 and name HB1) or (residue 5 and name HB2)) (residue 23 and name H5) 3.0 1.2 1.2
assign (residue 5 and name HD1) (residue 23 and name H5) 3.0 1.2 1.2
assign (residue 5 and name HD2) (residue 23 and name H5) 3.0 1.2 1.2

!Q6

!R7
assign (residue 7 and name HA) (residue 23 and name H1') 4.0 2.0 1.5
assign (residue 7 and name HA) (residue 23 and name H2') 2.5 0.7 0.7
assign (residue 7 and name HB1) (residue 23 and name H6) 4.0 2.0 1.5
assign (residue 7 and name HB2) (residue 23 and name H6) 4.0 2.0 1.5
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 23 and name H1') 3.0 1.2 1.2
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 23 and name H6) 4.0 2.0 1.5
assign ((residue 7 and name HD1) or (residue 7 and name HD2)) (residue 23 and name H5) 3.0 1.2 1.2
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 23 and name H5) 3.0 1.2 1.2
assign ((residue 7 and name HD1) or (residue 7 and name HD2)) (residue 23 and name H3) 4.0 2.0 1.5
assign ((residue 7 and name HG1) or (residue 7 and name HG2)) (residue 23 and name H3) 4.0 2.0 1.5

!K8
assign (residue 8 and name HN) (residue 23 and name H2') 5.0 3.0 2.0
assign ((residue 8 and name HD1) or (residue 8 and name HD2)) (residue 23 and name H5) 5.0 3.0 2.0
assign (residue 8 and name HA) (residue 24 and name H1') 5.0 3.0 2.0
assign (residue 8 and name HA) (residue 24 and name H6) 4.0 2.0 1.5
assign ((residue 8 and name HG1) or (residue 8 and name HG2)) (residue 24 and name H1') 5.0 3.0 2.0
assign (residue 8 and name HD1) (residue 24 and name H1') 5.0 3.0 2.0
assign (residue 8 and name HD2) (residue 24 and name H1') 5.0 3.0 2.0
assign ((residue 8 and name HD1) or (residue 8 and name HD2)) (residue 28 and name H1') 5.0 3.0 2.0
assign ((residue 8 and name HE1) or (residue 8 and name HE2)) (residue 24 and name H1') 5.0 3.0 2.0
assign ((residue 8 and name HE1) or (residue 8 and name HE2)) (residue 26 and name H8) 5.0 3.0 2.0
assign ((residue 8 and name HE1) or (residue 8 and name HE2)) (residue 27 and name H2) 4.0 2.0 1.5

!G9

!R10
assign (residue 10 and name HD1) (residue 34 and name H8) 5.0 3.0 2.0
assign (residue 10 and name HD2) (residue 34 and name H8) 5.0 3.0 2.0
assign (residue 10 and name HB1) (residue 34 and name H8) 5.0 3.0 2.0
assign (residue 10 and name HB2) (residue 34 and name H8) 5.0 3.0 2.0
assign (residue 10 and name HD1) (residue 34 and name H8) 4.0 2.0 1.5
assign (residue 10 and name HD2) (residue 34 and name H8) 4.0 2.0 1.5

!R11
assign (residue 11 and name HG2) (residue 34 and name H8) 4.0 2.0 1.5
assign (residue 11 and name HG1) (residue 34 and name H8) 4.0 2.0 1.5
assign ((residue 11 and name HD1) or (residue 11 and name HD2)) (residue 34 and name H8) 5.0 3.0 2.0

!I12
assign (residue 12 and name HD*) (residue 23 and name H5) 4.0 1.5 1.5
assign (residue 12 and name HG2*) (residue 23 and name H5) 4.0 1.5 1.5
assign (residue 12 and name HD*) (residue 23 and name H6) 4.0 2.0 1.5
assign (residue 12 and name HG1*) (residue 23 and name H6) 4.0 2.0 1.5 
assign (residue 12 and name HA) (residue 34 and name H2') 5.0 3.0 2.0
assign (residue 12 and name HB) (residue 34 and name H1') 5.0 3.0 2.0
assign (residue 12 and name HG2*) (residue 34 and name H2') 5.0 3.0 2.0
assign (residue 12 and name HG2*) (residue 34 and name H8) 5.0 3.0 2.0
assign (residue 12 and name HG2*) (residue 23 and name H6) 5.0 3.0 2.0
assign (residue 12 and name HD*) (residue 37 and name H5) 5.0 3.0 2.0

!C13

assign (residue 13 and name HB1) (residue 35 and name H1') 4.0 2.0 1.5
assign (residue 13 and name HB1) (residue 35 and name H8) 5.0 3.0 2.0
assign (residue 13 and name HB2) (residue 35 and name H1') 4.0 2.0 1.5
assign (residue 13 and name HB2) (residue 35 and name H8) 5.0 3.0 2.0

!I14
assign (residue 14 and name HG2*) (residue 37 and name H5) 5.0 3.0 2.0
assign (residue 14 and name HD*) (residue 37 and name H5) 5.0 3.0 2.0

!R15

!I16

!P17

!P18




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