NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
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|
8500 |
1mbf   |
cing | 1-original | 1 | unknown | distance | NOE | simple |
; S 3.0 M 4.0 W 5.0 VW 6.0 ALL ME +0.5 ; HA(I)-HN(I+1) 1 3 LYS+ HA 1 4 THR HN 1.0 1.0 -2.0 4.0 1 4 THR HA 1 5 ARG+ HN 1.0 1.0 -2.0 3.0 1 5 ARG+ HA 1 6 TRP HN 1.0 1.0 -2.0 4.0 1 6 TRP HA 1 7 THR HN 1.0 1.0 -2.0 3.0 1 7 THR HA 1 8 ARG+ HN 1.0 1.0 -2.0 3.0 1 8 ARG+ HA 1 9 GLU- HN 1.0 1.0 -2.0 4.0 1 9 GLU- HA 1 10 GLU- HN 1.0 1.0 -2.0 4.0 1 10 GLU- HA 1 11 ASP- HN 1.0 1.0 -2.0 4.0 1 11 ASP- HA 1 12 GLU- HN 1.0 1.0 -2.0 5.0 1 13 LYS+ HA 1 14 LEU HN 1.0 1.0 -2.0 4.0 1 14 LEU HA 1 15 LYS+ HN 1.0 1.0 -2.0 5.0 1 15 LYS+ HA 1 16 LYS+ HN 1.0 1.0 -2.0 5.0 1 16 LYS+ HA 1 17 LEU HN 1.0 1.0 -2.0 5.0 1 17 LEU HA 1 18 VAL HN 1.0 1.0 -2.0 5.0 1 18 VAL HA 1 19 GLU- HN 1.0 1.0 -2.0 4.0 1 19 GLU- HA 1 20 GLN HN 1.0 1.0 -2.0 4.0 1 20 GLN HA 1 21 ASN HN 1.0 1.0 -2.0 4.0 1 21 ASN HA 1 22 GLY HN 1.0 1.0 -2.0 5.0 1 22 GLY HA1 1 23 THR HN 1.0 1.0 -2.0 4.0 1 22 GLY HA2 1 23 THR HN 1.0 1.0 -2.0 3.0 1 23 THR HA 1 24 ASP- HN 1.0 1.0 -2.0 4.0 1 24 ASP- HA 1 25 ASP- HN 1.0 1.0 -2.0 4.0 1 25 ASP- HA 1 26 TRP HN 1.0 1.0 -2.0 4.0 1 26 TRP HA 1 27 LYS+ HN 1.0 1.0 -2.0 5.0 1 27 LYS+ HA 1 28 VAL HN 1.0 1.0 -2.0 4.0 1 29 ILE HA 1 30 ALA HN 1.0 1.0 -2.0 4.0 1 30 ALA HA 1 31 ASN HN 1.0 1.0 -2.0 4.0 1 31 ASN HA 1 32 TYR HN 1.0 1.0 -2.0 5.0 1 32 TYR HA 1 33 LEU HN 1.0 1.0 -2.0 4.0 1 34 PRO HA 1 35 ASN HN 1.0 1.0 -2.0 4.0 1 35 ASN HA 1 36 ARG+ HN 1.0 1.0 -2.0 4.0 1 36 ARG+ HA 1 37 THR HN 1.0 1.0 -2.0 3.0 1 37 THR HA 1 38 ASP- HN 1.0 1.0 -2.0 3.0 1 38 ASP- HA 1 39 VAL HN 1.0 1.0 -2.0 4.0 1 39 VAL HA 1 40 GLN HN 1.0 1.0 -2.0 4.0 1 40 GLN HA 1 41 CYS HN 1.0 1.0 -2.0 5.0 1 41 CYS HA 1 42 GLN HN 1.0 1.0 -2.0 4.0 1 42 GLN HA 1 43 HIS HN 1.0 1.0 -2.0 4.0 1 43 HIS HA 1 44 ARG+ HN 1.0 1.0 -2.0 4.0 1 44 ARG+ HA 1 45 TRP HN 1.0 1.0 -2.0 5.0 1 45 TRP HA 1 46 GLN HN 1.0 1.0 -2.0 5.0 1 46 GLN HA 1 47 LYS+ HN 1.0 1.0 -2.0 5.0 1 47 LYS+ HA 1 48 VAL HN 1.0 1.0 -2.0 5.0 1 48 VAL HA 1 49 LEU HN 1.0 1.0 -2.0 5.0 1 49 LEU HA 1 50 ASN HN 1.0 1.0 -2.0 5.0 1 51 PRO HA 1 52 GLU- HN 1.0 1.0 -2.0 4.0 ; HN(I)-HN(I+1) 1 8 ARG+ HN 1 9 GLU- HN 1.0 1.0 -2.0 4.0 1 9 GLU- HN 1 10 GLU- HN 1.0 1.0 -2.0 3.0 1 10 GLU- HN 1 11 ASP- HN 1.0 1.0 -2.0 3.0 1 11 ASP- HN 1 12 GLU- HN 1.0 1.0 -2.0 3.0 1 12 GLU- HN 1 13 LYS+ HN 1.0 1.0 -2.0 3.0 1 13 LYS+ HN 1 14 LEU HN 1.0 1.0 -2.0 3.0 1 14 LEU HN 1 15 LYS+ HN 1.0 1.0 -2.0 3.0 1 15 LYS+ HN 1 16 LYS+ HN 1.0 1.0 -2.0 4.0 1 16 LYS+ HN 1 17 LEU HN 1.0 1.0 -2.0 3.0 1 17 LEU HN 1 18 VAL HN 1.0 1.0 -2.0 3.0 1 18 VAL HN 1 19 GLU- HN 1.0 1.0 -2.0 3.0 1 19 GLU- HN 1 20 GLN HN 1.0 1.0 -2.0 3.0 1 20 GLN HN 1 21 ASN HN 1.0 1.0 -2.0 3.0 1 21 ASN HN 1 22 GLY HN 1.0 1.0 -2.0 3.0 1 22 GLY HN 1 23 THR HN 1.0 1.0 -2.0 5.0 1 23 THR HN 1 24 ASP- HN 1.0 1.0 -2.0 4.0 1 24 ASP- HN 1 25 ASP- HN 1.0 1.0 -2.0 4.0 1 25 ASP- HN 1 26 TRP HN 1.0 1.0 -2.0 5.0 1 26 TRP HN 1 27 LYS+ HN 1.0 1.0 -2.0 3.0 1 27 LYS+ HN 1 28 VAL HN 1.0 1.0 -2.0 3.0 1 28 VAL HN 1 29 ILE HN 1.0 1.0 -2.0 3.0 1 29 ILE HN 1 30 ALA HN 1.0 1.0 -2.0 3.0 1 30 ALA HN 1 31 ASN HN 1.0 1.0 -2.0 3.0 1 32 TYR HN 1 33 LEU HN 1.0 1.0 -2.0 3.0 ;3D-HNH 1 35 ASN HN 1 36 ARG+ HN 1.0 1.0 -2.0 4.0 1 38 ASP- HN 1 39 VAL HN 1.0 1.0 -2.0 3.0 1 39 VAL HN 1 40 GLN HN 1.0 1.0 -2.0 3.0 1 40 GLN HN 1 41 CYS HN 1.0 1.0 -2.0 3.0 1 41 CYS HN 1 42 GLN HN 1.0 1.0 -2.0 3.0 1 42 GLN HN 1 43 HIS HN 1.0 1.0 -2.0 3.0 1 43 HIS HN 1 44 ARG+ HN 1.0 1.0 -2.0 4.0 1 44 ARG+ HN 1 45 TRP HN 1.0 1.0 -2.0 4.0 1 45 TRP HN 1 46 GLN HN 1.0 1.0 -2.0 5.0 1 46 GLN HN 1 47 LYS+ HN 1.0 1.0 -2.0 4.0 1 47 LYS+ HN 1 48 VAL HN 1.0 1.0 -2.0 4.0 1 48 VAL HN 1 49 LEU HN 1.0 1.0 -2.0 5.0 ; HB(I)-HN(I+1) 1 4 THR HB 1 5 ARG+ HN 1.0 1.0 -2.0 4.5 1 5 ARG+ HB1 1 6 TRP HN 1.0 1.0 -2.0 4.5 1 5 ARG+ HB2 1 6 TRP HN 1.0 1.0 -2.0 4.5 1 6 TRP HB2 1 7 THR HN 1.0 1.0 -2.0 4.5 1 6 TRP HB1 1 7 THR HN 1.0 1.0 -2.0 5.5 1 7 THR HB 1 8 ARG+ HN 1.0 1.0 -2.0 4.5 1 8 ARG+ HB1 1 9 GLU- HN 1.0 1.0 -2.0 5.5 1 8 ARG+ HB2 1 9 GLU- HN 1.0 1.0 -2.0 4.5 1 9 GLU- HB2 1 10 GLU- HN 1.0 1.0 -2.0 5.5 1 9 GLU- HB1 1 10 GLU- HN 1.0 1.0 -2.0 4.5 1 10 GLU- HB2 1 11 ASP- HN 1.0 1.0 -2.0 5.5 1 10 GLU- HB1 1 11 ASP- HN 1.0 1.0 -2.0 4.5 1 11 ASP- HB2 1 12 GLU- HN 1.0 1.0 -2.0 4.5 1 11 ASP- HB1 1 12 GLU- HN 1.0 1.0 -2.0 4.0 1 12 GLU- HB* 1 13 LYS+ HN 1.0 1.0 -2.0 5.5 ; +1.0 1 13 LYS+ HB* 1 14 LEU HN 1.0 1.0 -2.0 5.5 ; +1.0 1 14 LEU HB2 1 15 LYS+ HN 1.0 1.0 -2.0 4.5 1 14 LEU HB1 1 15 LYS+ HN 1.0 1.0 -2.0 5.5 1 15 LYS+ HB* 1 16 LYS+ HN 1.0 1.0 -2.0 5.5 ; +1.0 1 16 LYS+ HB* 1 17 LEU HN 1.0 1.0 -2.0 5.5 ; +1.0 1 17 LEU HB1 1 18 VAL HN 1.0 1.0 -2.0 4.5 1 17 LEU HB2 1 18 VAL HN 1.0 1.0 -2.0 4.5 1 18 VAL HB 1 19 GLU- HN 1.0 1.0 -2.0 4.5 1 19 GLU- HB1 1 20 GLN HN 1.0 1.0 -2.0 4.5 1 19 GLU- HB2 1 20 GLN HN 1.0 1.0 -2.0 4.5 1 20 GLN HB1 1 21 ASN HN 1.0 1.0 -2.0 4.5 1 20 GLN HB2 1 21 ASN HN 1.0 1.0 -2.0 4.5 1 21 ASN HB1 1 22 GLY HN 1.0 1.0 -2.0 4.5 1 21 ASN HB2 1 22 GLY HN 1.0 1.0 -2.0 4.5 1 24 ASP- HB1 1 25 ASP- HN 1.0 1.0 -2.0 4.5 1 24 ASP- HB2 1 25 ASP- HN 1.0 1.0 -2.0 5.5 1 26 TRP HB2 1 27 LYS+ HN 1.0 1.0 -2.0 5.5 1 26 TRP HB1 1 27 LYS+ HN 1.0 1.0 -2.0 5.0 1 27 LYS+ HB2 1 28 VAL HN 1.0 1.0 -2.0 4.0 1 27 LYS+ HB1 1 28 VAL HN 1.0 1.0 -2.0 5.0 1 28 VAL HB 1 29 ILE HN 1.0 1.0 -2.0 4.0 1 29 ILE HB 1 30 ALA HN 1.0 1.0 -2.0 4.0 1 30 ALA HB* 1 31 ASN HN 1.0 1.0 -2.0 6.0 ; +1.5M 1 31 ASN HB1 1 32 TYR HN 1.0 1.0 -2.0 5.5 1 31 ASN HB2 1 32 TYR HN 1.0 1.0 -2.0 5.5 1 32 TYR HB2 1 33 LEU HN 1.0 1.0 -2.0 5.5 1 32 TYR HB1 1 33 LEU HN 1.0 1.0 -2.0 4.5 1 34 PRO HB1 1 35 ASN HN 1.0 1.0 -2.0 5.5 1 34 PRO HB2 1 35 ASN HN 1.0 1.0 -2.0 5.5 1 35 ASN HB1 1 36 ARG+ HN 1.0 1.0 -2.0 4.5 1 35 ASN HB2 1 36 ARG+ HN 1.0 1.0 -2.0 4.5 1 36 ARG+ HB1 1 37 THR HN 1.0 1.0 -2.0 4.5 1 38 ASP- HB* 1 39 VAL HN 1.0 1.0 -2.0 5.0 ; +1.0 1 39 VAL HB 1 40 GLN HN 1.0 1.0 -2.0 4.5 1 40 GLN HB* 1 41 CYS HN 1.0 1.0 -2.0 5.0 ; +1.0 1 41 CYS HB1 1 42 GLN HN 1.0 1.0 -2.0 4.0 1 41 CYS HB2 1 42 GLN HN 1.0 1.0 -2.0 4.0 1 42 GLN HB2 1 43 HIS HN 1.0 1.0 -2.0 4.5 1 42 GLN HB1 1 43 HIS HN 1.0 1.0 -2.0 4.5 1 43 HIS HB1 1 44 ARG+ HN 1.0 1.0 -2.0 4.5 1 43 HIS HB2 1 44 ARG+ HN 1.0 1.0 -2.0 4.5 1 44 ARG+ HB2 1 45 TRP HN 1.0 1.0 -2.0 4.5 1 44 ARG+ HB1 1 45 TRP HN 1.0 1.0 -2.0 5.5 1 45 TRP HB1 1 46 GLN HN 1.0 1.0 -2.0 5.5 1 45 TRP HB2 1 46 GLN HN 1.0 1.0 -2.0 4.5 1 46 GLN HB1 1 47 LYS+ HN 1.0 1.0 -2.0 5.5 1 46 GLN HB2 1 47 LYS+ HN 1.0 1.0 -2.0 5.5 1 47 LYS+ HB1 1 48 VAL HN 1.0 1.0 -2.0 6.5 1 47 LYS+ HB2 1 48 VAL HN 1.0 1.0 -2.0 6.5 1 48 VAL HB 1 49 LEU HN 1.0 1.0 -2.0 4.5 1 49 LEU HB1 1 50 ASN HN 1.0 1.0 -2.0 4.5 1 49 LEU HB2 1 50 ASN HN 1.0 1.0 -2.0 5.5 ; HA(I)-HN(I+3) 1 8 ARG+ HA 1 11 ASP- HN 1.0 1.0 -2.0 4.0 1 10 GLU- HA 1 13 LYS+ HN 1.0 1.0 -2.0 5.0 1 11 ASP- HA 1 14 LEU HN 1.0 1.0 -2.0 4.0 1 12 GLU- HA 1 15 LYS+ HN 1.0 1.0 -2.0 4.0 1 14 LEU HA 1 17 LEU HN 1.0 1.0 -2.0 4.0 1 15 LYS+ HA 1 18 VAL HN 1.0 1.0 -2.0 4.0 1 16 LYS+ HA 1 19 GLU- HN 1.0 1.0 -2.0 4.0 ;M 1 17 LEU HA 1 20 GLN HN 1.0 1.0 -2.0 4.0 1 18 VAL HA 1 21 ASN HN 1.0 1.0 -2.0 4.0 1 26 TRP HA 1 29 ILE HN 1.0 1.0 -2.0 4.0 1 27 LYS+ HA 1 30 ALA HN 1.0 1.0 -2.0 4.0 1 28 VAL HA 1 31 ASN HN 1.0 1.0 -2.0 4.0 1 29 ILE HA 1 32 TYR HN 1.0 1.0 -2.0 5.0 1 30 ALA HA 1 33 LEU HN 1.0 1.0 -2.0 4.0 1 38 ASP- HA 1 41 CYS HN 1.0 1.0 -2.0 4.0 1 39 VAL HA 1 42 GLN HN 1.0 1.0 -2.0 4.0 1 40 GLN HA 1 43 HIS HN 1.0 1.0 -2.0 5.0 1 41 CYS HA 1 44 ARG+ HN 1.0 1.0 -2.0 4.0 1 42 GLN HA 1 45 TRP HN 1.0 1.0 -2.0 5.0 1 43 HIS HA 1 46 GLN HN 1.0 1.0 -2.0 5.0 ; HA(I)-HB(I+3) 1 8 ARG+ HA 1 11 ASP- HB1 1.0 1.0 -2.0 4.5 1 8 ARG+ HA 1 11 ASP- HB2 1.0 1.0 -2.0 5.5 1 10 GLU- HA 1 13 LYS+ HB* 1.0 1.0 -2.0 5.5 ; +1.0 1 11 ASP- HA 1 14 LEU HB2 1.0 1.0 -2.0 4.5 1 11 ASP- HA 1 14 LEU HB1 1.0 1.0 -2.0 4.5 1 14 LEU HA 1 17 LEU HB1 1.0 1.0 -2.0 4.5 1 14 LEU HA 1 17 LEU HB2 1.0 1.0 -2.0 4.5 1 17 LEU HA 1 20 GLN HB1 1.0 1.0 -2.0 4.5 1 17 LEU HA 1 20 GLN HB2 1.0 1.0 -2.0 4.5 1 26 TRP HA 1 29 ILE HB 1.0 1.0 -2.0 4.5 1 28 VAL HA 1 31 ASN HB1 1.0 1.0 -2.0 4.5 1 28 VAL HA 1 31 ASN HB2 1.0 1.0 -2.0 5.5 1 38 ASP- HA 1 41 CYS HB1 1.0 1.0 -2.0 4.5 1 38 ASP- HA 1 41 CYS HB2 1.0 1.0 -2.0 5.5 1 39 VAL HA 1 42 GLN HB2 1.0 1.0 -2.0 4.5 1 39 VAL HA 1 42 GLN HB1 1.0 1.0 -2.0 4.5 1 40 GLN HA 1 43 HIS HB1 1.0 1.0 -2.0 4.5 1 40 GLN HA 1 43 HIS HB2 1.0 1.0 -2.0 4.5 1 41 CYS HA 1 44 ARG+ HB2 1.0 1.0 -2.0 4.5 1 41 CYS HA 1 44 ARG+ HB1 1.0 1.0 -2.0 4.5 1 42 GLN HA 1 45 TRP HB* 1.0 1.0 -2.0 5.5 ; +1.0 ;HA(I)-HN(I+2) 1 7 THR HA 1 9 GLU- HN 1.0 1.0 -2.0 5.0 1 8 ARG+ HA 1 10 GLU- HN 1.0 1.0 -2.0 5.0 1 9 GLU- HA 1 11 ASP- HN 1.0 1.0 -2.0 5.0 1 16 LYS+ HA 1 18 VAL HN 1.0 1.0 -2.0 5.0 1 17 LEU HA 1 19 GLU- HN 1.0 1.0 -2.0 5.0 1 26 TRP HA 1 28 VAL HN 1.0 1.0 -2.0 5.0 1 27 LYS+ HA 1 29 ILE HN 1.0 1.0 -2.0 5.0 1 30 ALA HA 1 32 TYR HN 1.0 1.0 -2.0 5.0 1 31 ASN HA 1 33 LEU HN 1.0 1.0 -2.0 5.0 1 37 THR HA 1 39 VAL HN 1.0 1.0 -2.0 5.0 ;+1.0 1 38 ASP- HA 1 40 GLN HN 1.0 1.0 -2.0 5.0 ;+1.0 1 39 VAL HA 1 41 CYS HN 1.0 1.0 -2.0 5.0 1 40 GLN HA 1 42 GLN HN 1.0 1.0 -2.0 5.0 1 42 GLN HA 1 44 ARG+ HN 1.0 1.0 -2.0 5.0 ;HN(I)-HN(I+2) 1 8 ARG+ HN 1 10 GLU- HN 1.0 1.0 -2.0 5.0 1 9 GLU- HN 1 11 ASP- HN 1.0 1.0 -2.0 5.0 1 11 ASP- HN 1 13 LYS+ HN 1.0 1.0 -2.0 5.0 1 12 GLU- HN 1 14 LEU HN 1.0 1.0 -2.0 5.0 1 14 LEU HN 1 16 LYS+ HN 1.0 1.0 -2.0 5.0 1 16 LYS+ HN 1 18 VAL HN 1.0 1.0 -2.0 5.0 1 17 LEU HN 1 19 GLU- HN 1.0 1.0 -2.0 5.0 1 18 VAL HN 1 20 GLN HN 1.0 1.0 -2.0 5.0 1 20 GLN HN 1 22 GLY HN 1.0 1.0 -2.0 5.0 1 26 TRP HN 1 28 VAL HN 1.0 1.0 -2.0 6.0 1 27 LYS+ HN 1 29 ILE HN 1.0 1.0 -2.0 5.0 1 28 VAL HN 1 30 ALA HN 1.0 1.0 -2.0 5.0 1 29 ILE HN 1 31 ASN HN 1.0 1.0 -2.0 5.0 1 38 ASP- HN 1 40 GLN HN 1.0 1.0 -2.0 5.0 1 41 CYS HN 1 43 HIS HN 1.0 1.0 -2.0 5.0 ;HN(I)-HN(I+3) 1 7 THR HN 1 10 GLU- HN 1.0 1.0 -2.0 5.0 1 8 ARG+ HN 1 11 ASP- HN 1.0 1.0 -2.0 5.0 1 37 THR HN 1 40 GLN HN 1.0 1.0 -2.0 6.0 ;HA(I)-HN(I+4) 1 8 ARG+ HA 1 12 GLU- HN 1.0 1.0 -2.0 5.0 1 10 GLU- HA 1 14 LEU HN 1.0 1.0 -2.0 5.0 1 14 LEU HA 1 18 VAL HN 1.0 1.0 -2.0 5.0 ; 93/07 1 15 LYS+ HA 1 19 GLU- HN 1.0 1.0 -2.0 5.0 1 17 LEU HA 1 21 ASN HN 1.0 1.0 -2.0 5.0 1 18 VAL HA 1 22 GLY HN 1.0 1.0 -2.0 4.0 1 26 TRP HA 1 30 ALA HN 1.0 1.0 -2.0 5.0 1 27 LYS+ HA 1 31 ASN HN 1.0 1.0 -2.0 5.0 1 38 ASP- HA 1 42 GLN HN 1.0 1.0 -2.0 5.0 1 39 VAL HA 1 43 HIS HN 1.0 1.0 -2.0 5.0 1 40 GLN HA 1 44 ARG+ HN 1.0 1.0 -2.0 5.0 1 42 GLN HA 1 46 GLN HN 1.0 1.0 -2.0 5.0 ;OTHERS 1 5 ARG+ HN 1 2 GLY HA* 1.0 1.0 -2.0 5.5 1 5 ARG+ HN 1 4 THR HG2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 6 TRP HN 1 5 ARG+ HG* 1.0 1.0 -2.0 5.5 ; +1.0 1 7 THR HN 1 6 TRP HE3 1.0 1.0 -2.0 5.5 1 7 THR HN 1 10 GLU- HB2 1.0 1.0 -2.0 5.5 1 7 THR HN 1 10 GLU- HB1 1.0 1.0 -2.0 5.5 1 8 ARG+ HN 1 7 THR HG2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 9 GLU- HN 1 8 ARG+ HG1 1.0 1.0 -2.0 5.5 1 9 GLU- HN 1 8 ARG+ HG2 1.0 1.0 -2.0 5.5 1 9 GLU- HN 1 7 THR HG2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 10 GLU- HN 1 6 TRP HE3 1.0 1.0 -2.0 5.5 1 10 GLU- HN 1 7 THR HG2* 1.0 1.0 -2.0 8.0 ; +1.5M 1 11 ASP- HN 1 6 TRP HE3 1.0 1.0 -2.0 5.5 1 11 ASP- HN 1 10 GLU- HG* 1.0 1.0 -2.0 6.5 ; +1.0 1 12 GLU- HN 1 8 ARG+ HG1 1.0 1.0 -2.0 6.5 ; +1.0 1 12 GLU- HN 1 8 ARG+ HG2 1.0 1.0 -2.0 6.5 ; +1.0 1 13 LYS+ HN 1 12 GLU- HG1 1.0 1.0 -2.0 5.5 1 13 LYS+ HN 1 12 GLU- HG2 1.0 1.0 -2.0 5.5 1 13 LYS+ HN 1 33 LEU HD2* 1.0 1.0 -2.0 8.0 ; +1.5M 1 13 LYS+ HN 1 33 LEU HD1* 1.0 1.0 -2.0 8.0 ; +1.5M 1 14 LEU HN 1 6 TRP HZ3 1.0 1.0 -2.0 5.5 1 14 LEU HN 1 17 LEU HD1* 1.0 1.0 -2.0 7.0 ; +1.5M 1 14 LEU HN 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ; +2.5M 1 15 LYS+ HN 1 14 LEU HG 1.0 1.0 -2.0 5.5 1 15 LYS+ HN 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 18 VAL HN 1 29 ILE HG2* 1.0 1.0 -2.0 8.0 ; +1.5M 1 18 VAL HN 1 17 LEU HD2* 1.0 1.0 -2.0 8.0 ; +1.5M 1 18 VAL HN 1 29 ILE HD* 1.0 1.0 -2.0 7.0 ; +1.5M 1 19 GLU- HN 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 19 GLU- HN 1 18 VAL HG1* 1.0 1.0 -2.0 6.0 ; +1.5M 1 20 GLN HN 1 21 ASN ND2 1.0 1.0 -2.0 7.5 ; +2.0 1 21 ASN HN 1 22 GLY HA1 1.0 1.0 -2.0 5.5 1 21 ASN HN 1 22 GLY HA2 1.0 1.0 -2.0 5.5 1 21 ASN HN 1 29 ILE HD* 1.0 1.0 -2.0 7.0 ; +1.5M 1 22 GLY HN 1 21 ASN ND2 1.0 1.0 -2.0 7.5 ; +2.0 1 22 GLY HN 1 29 ILE HD* 1.0 1.0 -2.0 7.0 ; +1.5M 1 22 GLY HN 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ; +1.5M 1 25 ASP- HN 1 28 VAL HB 1.0 1.0 -2.0 5.5 1 26 TRP HN 1 38 ASP- HB* 1.0 1.0 -2.0 6.5 ; +1.0 1 26 TRP HN 1 27 LYS+ HA 1.0 1.0 -2.0 6.5 ; 1 27 LYS+ HN 1 26 TRP HD1 1.0 1.0 -2.0 5.5 1 27 LYS+ HN 1 38 ASP- HB* 1.0 1.0 -2.0 5.5 ; +1.0 1 27 LYS+ HN 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 27 LYS+ HN 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ; +1.5M 1 28 VAL HN 1 25 ASP- HB1 1.0 1.0 -2.0 4.5 1 28 VAL HN 1 27 LYS+ HG1 1.0 1.0 -2.0 5.5 1 28 VAL HN 1 27 LYS+ HG2 1.0 1.0 -2.0 5.5 1 29 ILE HN 1 26 TRP HE3 1.0 1.0 -2.0 5.5 1 29 ILE HN 1 30 ALA HB* 1.0 1.0 -2.0 7.0 ; +1.5M 1 29 ILE HN 1 28 VAL HG2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 29 ILE HN 1 28 VAL HG1* 1.0 1.0 -2.0 6.0 ; +1.5M 1 30 ALA HN 1 26 TRP HE3 1.0 1.0 -2.0 5.5 ; 1 30 ALA HN 1 29 ILE HG12 1.0 1.0 -2.0 5.5 ; 1 30 ALA HN 1 29 ILE HG2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 30 ALA HN 1 14 LEU HD1* 1.0 1.0 -2.0 7.0 ; +1.5M 1 30 ALA HN 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 30 ALA HN 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ; +1.5M 1 30 ALA HN 1 29 ILE HD* 1.0 1.0 -2.0 7.0 ; +1.5M 1 31 ASN HN 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ; +1.5M 1 32 TYR HN 1 17 LEU HD1* 1.0 1.0 -2.0 7.0 ; +1.5M 1 36 ARG+ HN 1 33 LEU HB1 1.0 1.0 -2.0 6.5 1 36 ARG+ HN 1 33 LEU HB2 1.0 1.0 -2.0 5.5 1 36 ARG+ HN 1 34 PRO HA 1.0 1.0 -2.0 5.5 1 37 THR HN 1 40 GLN HG* 1.0 1.0 -2.0 5.5 ; +1.0 1 38 ASP- HN 1 30 ALA HB* 1.0 1.0 -2.0 5.5 ; +1.5M 1 38 ASP- HN 1 37 THR HG2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 38 ASP- HN 1 39 VAL HG2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 40 GLN HN 1 41 CYS HG 1.0 1.0 -2.0 5.5 1 40 GLN HN 1 39 VAL HG2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 40 GLN HN 1 39 VAL HG1* 1.0 1.0 -2.0 6.0 ; +1.5M 1 40 GLN HN 1 37 THR HG2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 41 CYS HN 1 26 TRP HE3 1.0 1.0 -2.0 5.5 1 41 CYS HN 1 6 TRP HZ2 1.0 1.0 -2.0 5.5 1 41 CYS HN 1 40 GLN HG* 1.0 1.0 -2.0 6.3 ; +1.0 1 41 CYS HN 1 39 VAL HB 1.0 1.0 -2.0 6.5 1 41 CYS HN 1 30 ALA HB* 1.0 1.0 -2.0 7.0 ; +1.5M 1 42 GLN HN 1 26 TRP HE3 1.0 1.0 -2.0 5.5 1 42 GLN HN 1 41 CYS HG 1.0 1.0 -2.0 5.5 1 43 HIS HN 1 39 VAL HG1* 1.0 1.0 -2.0 7.0 ; +1.5M 1 44 ARG+ HN 1 6 TRP HZ2 1.0 1.0 -2.0 5.5 1 44 ARG+ HN 1 43 HIS HD2 1.0 1.0 -2.0 5.5 1 44 ARG+ HN 1 14 LEU HD2* 1.0 1.0 -2.0 8.0 ; +1.5M 1 44 ARG+ HN 1 48 VAL HG* 1.0 1.0 -2.0 9.4 ;+2.9M 1 44 ARG+ HE 1 6 TRP HE3 1.0 1.0 -2.0 4.5 1 44 ARG+ HE 1 6 TRP HD1 1.0 1.0 -2.0 6.5 1 44 ARG+ HE 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 44 ARG+ HE 1 49 LEU HD1* 1.0 1.0 -2.0 6.0 ; +1.5M 1 44 ARG+ HE 1 14 LEU HD2* 1.0 1.0 -2.0 8.0 ; +1.5M 1 44 ARG+ HE 1 6 TRP HB2 1.0 1.0 -2.0 4.5 1 44 ARG+ HE 1 6 TRP HB1 1.0 1.0 -2.0 4.5 1 45 TRP HN 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ; +1.5M 1 14 LEU HN 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ; +1.5M 1 14 LEU HN 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ; +1.5M 1 45 TRP HN 1 44 ARG+ HG2 1.0 1.0 -2.0 6.5 1 47 LYS+ HN 1 48 VAL HG* 1.0 1.0 -2.0 9.9 ;+3.4MM 1 44 ARG+ HH11 1 6 TRP HB1 1.0 1.0 -2.0 6.5 ;+1.0 1 44 ARG+ HH12 1 6 TRP HB1 1.0 1.0 -2.0 6.5 ;+1.0 1 44 ARG+ HH11 1 48 VAL HG* 1.0 1.0 -2.0 9.9 ;+3.4MM+1.0 1 44 ARG+ HH12 1 48 VAL HG* 1.0 1.0 -2.0 9.9 ;+3.4MM+1.0 1 44 ARG+ HH11 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5M+1.0 1 44 ARG+ HH12 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5M+1.0 1 44 ARG+ HH11 1 6 TRP HD1 1.0 1.0 -2.0 6.5 ;+1.0 1 44 ARG+ HH12 1 6 TRP HD1 1.0 1.0 -2.0 6.5 ;+1.0 1 40 GLN HE21 1 37 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 40 GLN HE22 1 37 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 35 ASN HD21 1 34 PRO HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 35 ASN HD22 1 34 PRO HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 21 ASN HD21 1 17 LEU HA 1.0 1.0 -2.0 4.5 1 21 ASN HD22 1 17 LEU HA 1.0 1.0 -2.0 4.5 1 21 ASN HD21 1 20 GLN HB1 1.0 1.0 -2.0 4.5 1 21 ASN HD22 1 20 GLN HB1 1.0 1.0 -2.0 4.5 1 21 ASN HD21 1 20 GLN HB2 1.0 1.0 -2.0 4.5 1 21 ASN HD22 1 20 GLN HB2 1.0 1.0 -2.0 4.5 1 21 ASN HD21 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 21 ASN HD22 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 21 ASN HD21 1 17 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 21 ASN HD22 1 17 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 21 ASN HD21 1 29 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 21 ASN HD22 1 29 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 31 ASN HD21 1 28 VAL HA 1.0 1.0 -2.0 5.5 1 31 ASN HD22 1 28 VAL HA 1.0 1.0 -2.0 5.5 1 50 ASN HN 1 51 PRO HD1 1.0 1.0 -2.0 5.5 1 50 ASN HN 1 51 PRO HD2 1.0 1.0 -2.0 5.5 1 50 ASN HN 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5M 1 52 GLU- HN 1 51 PRO HD* 1.0 1.0 -2.0 6.5 ;+1.0 1 26 TRP HE1 1 42 GLN HE21 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 GLN HE22 1.0 1.0 -2.0 5.5 1 45 TRP HE1 1 48 VAL HN 1.0 1.0 -2.0 7.5 1 26 TRP HE1 1 46 GLN NE2 1.0 1.0 -2.0 7.5 ;+2.0 1 26 TRP HE1 1 42 GLN HB1 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 GLN HG2 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 GLN HG1 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 GLN HA 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 23 THR HB 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HD2 1.0 1.0 -2.0 4.5 1 6 TRP HE1 1 44 ARG+ HD1 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HB2 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HB1 1.0 1.0 -2.0 4.5 1 6 TRP HE1 1 4 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HE1 1 36 ARG+ HD2 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HA 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HE1 1 5 ARG+ HA 1.0 1.0 -2.0 6.5 1 45 TRP HE1 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HE1 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HE1 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 6 TRP HD1 1 5 ARG+ HA 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 4 THR HB 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 4 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HD1 1 44 ARG+ HD2 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 44 ARG+ HD1 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 44 ARG+ HG1 1.0 1.0 -2.0 6.5 1 6 TRP HD1 1 48 VAL HG* 1.0 1.0 -2.0 9.9 ;+3.4MM 1 6 TRP HE3 1 11 ASP- HA 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 5 ARG+ HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HE3 1 10 GLU- HA 1.0 1.0 -2.0 5.5 1 6 TRP HE3 1 10 GLU- HB2 1.0 1.0 -2.0 4.5 1 6 TRP HE3 1 10 GLU- HB1 1.0 1.0 -2.0 4.0 1 6 TRP HE3 1 10 GLU- HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HE3 1 14 LEU HB1 1.0 1.0 -2.0 5.5 ; 1 6 TRP HE3 1 44 ARG+ HG1 1.0 1.0 -2.0 5.5 1 6 TRP HE3 1 33 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5M 1 6 TRP HE3 1 33 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 6 TRP HE3 1 14 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HZ3 1 11 ASP- HA 1.0 1.0 -2.0 4.5 1 6 TRP HZ3 1 41 CYS HA 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 14 LEU HA 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 10 GLU- HA 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 10 GLU- HB2 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 10 GLU- HB1 1.0 1.0 -2.0 4.5 1 6 TRP HZ3 1 14 LEU HB2 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 14 LEU HB1 1.0 1.0 -2.0 4.0 1 6 TRP HZ3 1 10 GLU- HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HZ3 1 14 LEU HG 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HZ3 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HZ3 1 14 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HZ3 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 6 TRP HZ3 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 6 TRP HH2 1 41 CYS HA 1.0 1.0 -2.0 4.0 1 6 TRP HH2 1 41 CYS HB1 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 41 CYS HB2 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 41 CYS HG 1.0 1.0 -2.0 4.5 1 6 TRP HH2 1 10 GLU- HB1 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 14 LEU HB2 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 14 LEU HB1 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 44 ARG+ HD2 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 36 ARG+ HD2 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 36 ARG+ HB1 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 36 ARG+ HB2 1.0 1.0 -2.0 4.5 1 6 TRP HH2 1 33 LEU HB2 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 44 ARG+ HB2 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 44 ARG+ HB1 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 33 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 6 TRP HH2 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HH2 1 14 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5M 1 6 TRP HH2 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 6 TRP HH2 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 6 TRP HZ2 1 36 ARG+ HA 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 41 CYS HA 1.0 1.0 -2.0 4.5 1 6 TRP HZ2 1 40 GLN HA 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 41 CYS HB1 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 41 CYS HB2 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 41 CYS HG 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 40 GLN HB1 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 40 GLN HB2 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 40 GLN HG* 1.0 1.0 -2.0 5.0 ;+1.0 1 6 TRP HZ2 1 36 ARG+ HD1 1.0 1.0 -2.0 4.5 1 6 TRP HZ2 1 36 ARG+ HD2 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 36 ARG+ HB1 1.0 1.0 -2.0 6.5 1 6 TRP HZ2 1 36 ARG+ HB2 1.0 1.0 -2.0 4.5 1 6 TRP HZ2 1 44 ARG+ HB2 1.0 1.0 -2.0 4.5 1 6 TRP HZ2 1 44 ARG+ HB1 1.0 1.0 -2.0 4.5 1 6 TRP HZ2 1 36 ARG+ HG1 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 14 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 6 TRP HZ2 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 6 TRP HZ2 1 44 ARG+ HD1 1.0 1.0 -2.0 6.5 1 26 TRP HD1 1 25 ASP- HA 1.0 1.0 -2.0 6.5 1 26 TRP HD1 1 38 ASP- HA 1.0 1.0 -2.0 6.5 1 26 TRP HE3 1 38 ASP- HA 1.0 1.0 -2.0 6.5 1 26 TRP HE3 1 41 CYS HB1 1.0 1.0 -2.0 4.0 1 26 TRP HE3 1 41 CYS HB2 1.0 1.0 -2.0 4.0 1 26 TRP HD1 1 38 ASP- HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 26 TRP HE3 1 38 ASP- HB* 1.0 1.0 -2.0 7.5 ;+1.0 1 26 TRP HE3 1 29 ILE HB 1.0 1.0 -2.0 4.0 1 26 TRP HE3 1 42 GLN HA 1.0 1.0 -2.0 5.5 1 26 TRP HD1 1 42 GLN HA 1.0 1.0 -2.0 6.5 1 26 TRP HD1 1 42 GLN HB1 1.0 1.0 -2.0 4.5 1 26 TRP HD1 1 42 GLN HB2 1.0 1.0 -2.0 6.5 1 26 TRP HD1 1 42 GLN HG1 1.0 1.0 -2.0 5.5 1 26 TRP HD1 1 42 GLN HG2 1.0 1.0 -2.0 5.5 1 26 TRP HE3 1 14 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HE3 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HE3 1 29 ILE HG12 1.0 1.0 -2.0 4.5 1 26 TRP HE3 1 29 ILE HD* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HD1 1 29 ILE HD* 1.0 1.0 -2.0 8.0 ;+1.5M 1 26 TRP HE3 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HZ3 1 45 TRP HA 1.0 1.0 -2.0 6.5 1 26 TRP HZ3 1 38 ASP- HA 1.0 1.0 -2.0 6.5 1 26 TRP HZ3 1 41 CYS HB1 1.0 1.0 -2.0 4.5 1 26 TRP HZ3 1 41 CYS HB2 1.0 1.0 -2.0 4.5 1 26 TRP HZ3 1 45 TRP HB1 1.0 1.0 -2.0 5.5 1 26 TRP HZ3 1 45 TRP HB2 1.0 1.0 -2.0 4.5 1 26 TRP HZ3 1 29 ILE HB 1.0 1.0 -2.0 5.5 1 26 TRP HZ3 1 42 GLN HA 1.0 1.0 -2.0 4.5 1 26 TRP HZ3 1 14 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HZ3 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HZ3 1 29 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HZ3 1 29 ILE HG12 1.0 1.0 -2.0 5.5 1 26 TRP HZ3 1 29 ILE HD* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HZ3 1 23 THR HG2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 26 TRP HZ3 1 18 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HZ3 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HH2 1 45 TRP HB1 1.0 1.0 -2.0 5.5 1 26 TRP HH2 1 45 TRP HB2 1.0 1.0 -2.0 4.5 1 26 TRP HH2 1 42 GLN HA 1.0 1.0 -2.0 5.5 1 26 TRP HH2 1 14 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HH2 1 14 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HH2 1 23 THR HG2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HH2 1 29 ILE HD* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HH2 1 18 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 26 TRP HH2 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 26 TRP HZ2 1 23 THR HB 1.0 1.0 -2.0 4.5 1 26 TRP HZ2 1 23 THR HA 1.0 1.0 -2.0 4.5 1 26 TRP HZ2 1 46 GLN HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 26 TRP HZ2 1 42 GLN HA 1.0 1.0 -2.0 5.5 1 26 TRP HZ2 1 42 GLN HG1 1.0 1.0 -2.0 6.5 1 26 TRP HZ2 1 42 GLN HG2 1.0 1.0 -2.0 6.5 1 26 TRP HZ2 1 23 THR HG2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 32 TYR HD* 1 17 LEU HA 1.0 1.0 -2.0 8.5 ;+2.0 1 32 TYR HD* 1 29 ILE HA 1.0 1.0 -2.0 6.5 ;+2.0 1 32 TYR HD* 1 31 ASN HB2 1.0 1.0 -2.0 6.5 ;+2.0 1 32 TYR HD* 1 31 ASN HB1 1.0 1.0 -2.0 7.5 ;+2.0 1 32 TYR HD* 1 17 LEU HB2 1.0 1.0 -2.0 7.5 ;+2.0 1 32 TYR HD* 1 29 ILE HG2* 1.0 1.0 -2.0 9.0 ;+3.5M 1 32 TYR HD* 1 17 LEU HD1* 1.0 1.0 -2.0 9.0 ;+4.5M 1 32 TYR HD* 1 17 LEU HD2* 1.0 1.0 -2.0 8.0 ;+3.5M 1 32 TYR HD* 1 17 LEU HG 1.0 1.0 -2.0 8.0 ;+2.0 1 32 TYR HD* 1 28 VAL HG2* 1.0 1.0 -2.0 9.0 ;+4.5M 1 32 TYR HD* 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ;+3.5M 1 32 TYR HD* 1 29 ILE HD* 1.0 1.0 -2.0 9.0 ;+3.5M 1 32 TYR HE* 1 28 VAL HA 1.0 1.0 -2.0 6.5 ;+2.0 1 32 TYR HE* 1 31 ASN HB2 1.0 1.0 -2.0 7.5 ;+2.0 1 32 TYR HE* 1 31 ASN HB1 1.0 1.0 -2.0 7.5 ;+2.0 1 32 TYR HE* 1 28 VAL HG2* 1.0 1.0 -2.0 9.0 ;+3.5M 1 32 TYR HE* 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ;+3.5M 1 32 TYR HE* 1 17 LEU HD2* 1.0 1.0 -2.0 8.0 ;+3.5M 1 43 HIS HE1 1 47 LYS+ HD* 1.0 1.0 -2.0 7.5 ;+1.0 1 43 HIS HE1 1 39 VAL HG2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 43 HIS HE1 1 39 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 43 HIS HE1 1 48 VAL HG* 1.0 1.0 -2.0 10.9 ;+3.4MM 1 43 HIS HD2 1 39 VAL HA 1.0 1.0 -2.0 5.5 1 43 HIS HD2 1 47 LYS+ HE* 1.0 1.0 -2.0 6.5 ;+1.0 1 43 HIS HD2 1 42 GLN HG1 1.0 1.0 -2.0 5.5 1 43 HIS HD2 1 42 GLN HG2 1.0 1.0 -2.0 5.5 1 43 HIS HD2 1 42 GLN HB2 1.0 1.0 -2.0 4.5 1 43 HIS HD2 1 47 LYS+ HG1 1.0 1.0 -2.0 6.5 1 43 HIS HD2 1 47 LYS+ HG2 1.0 1.0 -2.0 6.5 1 43 HIS HD2 1 39 VAL HG2* 1.0 1.0 -2.0 8.0 ;+2.5M 1 43 HIS HD2 1 39 VAL HG1* 1.0 1.0 -2.0 7.0 ;+2.5M 1 43 HIS HD2 1 48 VAL HG* 1.0 1.0 -2.0 9.9 ;+3.4MM 1 45 TRP HD1 1 46 GLN HA 1.0 1.0 -2.0 6.5 1 45 TRP HD1 1 26 TRP HH2 1.0 1.0 -2.0 5.5 ;ADD 1 45 TRP HD1 1 46 GLN HG1 1.0 1.0 -2.0 4.5 1 45 TRP HD1 1 46 GLN HG2 1.0 1.0 -2.0 4.5 1 45 TRP HD1 1 46 GLN HB1 1.0 1.0 -2.0 6.5 1 45 TRP HD1 1 42 GLN HA 1.0 1.0 -2.0 6.5 1 32 TYR HD* 1 33 LEU HG 1.0 1.0 -2.0 8.5 ;+2.0 1 45 TRP HD1 1 42 GLN HG* 1.0 1.0 -2.0 7.5 ;+2.0 1 45 TRP HD1 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 45 TRP HD1 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HE3 1 15 LYS+ HA 1.0 1.0 -2.0 5.5 1 45 TRP HE3 1 46 GLN HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 45 TRP HE3 1 14 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 45 TRP HE3 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HE3 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 45 TRP HE3 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HZ3 1 15 LYS+ HA 1.0 1.0 -2.0 4.0 1 45 TRP HZ3 1 15 LYS+ HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HZ3 1 15 LYS+ HG1 1.0 1.0 -2.0 5.5 1 45 TRP HZ3 1 15 LYS+ HG2 1.0 1.0 -2.0 5.5 1 45 TRP HZ3 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 45 TRP HH2 1 50 ASN HA 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 15 LYS+ HA 1.0 1.0 -2.0 4.5 1 45 TRP HH2 1 51 PRO HD1 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 51 PRO HD2 1.0 1.0 -2.0 6.5 1 45 TRP HH2 1 15 LYS+ HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HH2 1 15 LYS+ HG1 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 15 LYS+ HG2 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 49 LEU HB2 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HH2 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HH2 1 18 VAL HG2* 1.0 1.0 -2.0 8.0 ;+1.5M 1 45 TRP HH2 1 18 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5M 1 45 TRP HZ2 1 50 ASN HA 1.0 1.0 -2.0 5.5 1 45 TRP HZ2 1 15 LYS+ HA 1.0 1.0 -2.0 5.5 1 45 TRP HZ2 1 51 PRO HD1 1.0 1.0 -2.0 5.5 1 45 TRP HZ2 1 51 PRO HD2 1.0 1.0 -2.0 5.5 1 45 TRP HZ2 1 15 LYS+ HD* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HZ2 1 50 ASN HB1 1.0 1.0 -2.0 8.0 1 45 TRP HZ2 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HZ2 1 49 LEU HD2* 1.0 1.0 -2.0 9.0 ;+1.5M 1 45 TRP HZ2 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HZ2 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5M 1 45 TRP HZ2 1 49 LEU HB2 1.0 1.0 -2.0 6.5 1 6 TRP HZ3 1 44 ARG+ HG1 1.0 1.0 -2.0 6.5 1 6 TRP HZ2 1 44 ARG+ HG1 1.0 1.0 -2.0 5.5 1 33 LEU HA 1 34 PRO HD* 1.0 1.0 -2.0 4.0 ;+1.0 1 33 LEU HA 1 34 PRO HG1 1.0 1.0 -2.0 6.0 1 33 LEU HA 1 34 PRO HG2 1.0 1.0 -2.0 6.0 1 33 LEU HA 1 32 TYR HB1 1.0 1.0 -2.0 5.5 1 33 LEU HA 1 17 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5M 1 36 ARG+ HA 1 40 GLN HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 36 ARG+ HA 1 41 CYS HA 1.0 1.0 -2.0 6.0 ;+1.0 1 36 ARG+ HA 1 37 THR HA 1.0 1.0 -2.0 5.0 1 11 ASP- HA 1 14 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5M M 1 11 ASP- HA 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5M M 1 11 ASP- HA 1 49 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 44 ARG+ HG1 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 44 ARG+ HG2 1 14 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 18 VAL HG2* 1.0 1.0 -2.0 7.5 ;+3.0MM 1 29 ILE HD* 1 18 VAL HG1* 1.0 1.0 -2.0 8.5 ;+3.0MM 1 23 THR HG2* 1 18 VAL HG1* 1.0 1.0 -2.0 8.5 ;+4.0MM 1 18 VAL HG2* 1 14 LEU HD1* 1.0 1.0 -2.0 7.5 ;+3.0MM 1 18 VAL HG2* 1 14 LEU HD2* 1.0 1.0 -2.0 7.5 ;+3.0MM 1 29 ILE HD* 1 17 LEU HB1 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 17 LEU HB2 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 21 ASN HB1 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 21 ASN HB2 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 18 VAL HA 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 26 TRP HA 1.0 1.0 -2.0 6.0 ;+1.5M 1 29 ILE HD* 1 28 VAL HG2* 1.0 1.0 -2.0 7.5 ;+3.0MM 1 29 ILE HD* 1 28 VAL HG1* 1.0 1.0 -2.0 8.5 ;+3.0MM 1 17 LEU HD1* 1 32 TYR HB1 1.0 1.0 -2.0 6.0 ;+1.5M 1 17 LEU HD1* 1 32 TYR HB2 1.0 1.0 -2.0 6.0 ;+1.5M 1 17 LEU HD2* 1 32 TYR HB1 1.0 1.0 -2.0 6.0 ;+1.5M 1 17 LEU HD2* 1 32 TYR HB2 1.0 1.0 -2.0 6.0 ;+1.5M 1 49 LEU HD1* 1 15 LYS+ HG* 1.0 1.0 -2.0 7.0 ;+2.5M 1 48 VAL HG1* 1 44 ARG+ HD2 1.0 1.0 -2.0 7.0 ;+1.5M 1 48 VAL HG2* 1 44 ARG+ HD2 1.0 1.0 -2.0 7.0 ;+1.5M 1 49 LEU HD1* 1 11 ASP- HB2 1.0 1.0 -2.0 8.0 ;+1.5M M 1 48 VAL HG* 1 44 ARG+ HA 1.0 1.0 -2.0 7.4 ;+2.9M 1 30 ALA HB* 1 38 ASP- HB* 1.0 1.0 -2.0 7.0 ;+2.5M 1 27 LYS+ HG1 1 38 ASP- HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 27 LYS+ HG2 1 38 ASP- HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 30 ALA HB* 1 37 THR HA 1.0 1.0 -2.0 6.0 ;+1.5M 1 39 VAL HA 1 42 GLN HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 30 ALA HB* 1 41 CYS HB* 1.0 1.0 -2.0 7.0 ;+1.5M 1 30 ALA HB* 1 26 TRP HB2 1.0 1.0 -2.0 8.0 ;+1.5M 1 38 ASP- HB* 1 26 TRP HB1 1.0 1.0 -2.0 5.5 ;+1.0 1 38 ASP- HB* 1 26 TRP HB2 1.0 1.0 -2.0 5.5 ;+1.0 1 38 ASP- HA 1 26 TRP HB1 1.0 1.0 -2.0 5.5 1 38 ASP- HA 1 26 TRP HB2 1.0 1.0 -2.0 5.5 1 31 ASN HA 1 27 LYS+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 44 ARG+ HA 1 48 VAL HB 1.0 1.0 -2.0 5.5 1 50 ASN HA 1 51 PRO HD1 1.0 1.0 -2.0 4.5 1 50 ASN HA 1 51 PRO HD2 1.0 1.0 -2.0 4.5 1 41 CYS HG 1 30 ALA HB* 1.0 1.0 -2.0 6.0 ;+1.5M 1 41 CYS HG 1 30 ALA HA 1.0 1.0 -2.0 5.5 ;INTRARESIDUE 1 6 TRP HN 1 6 TRP HD1 1.0 1.0 -2.0 4.0 1 26 TRP HN 1 26 TRP HD1 1.0 1.0 -2.0 4.0 1 21 ASN HN 1 21 ASN HD21 1.0 1.0 -2.0 4.5 1 21 ASN HN 1 21 ASN HD22 1.0 1.0 -2.0 4.5 1 44 ARG+ HA 1 44 ARG+ HD2 1.0 1.0 -2.0 4.0 1 44 ARG+ HA 1 44 ARG+ HD1 1.0 1.0 -2.0 5.5 1 36 ARG+ HA 1 36 ARG+ HD1 1.0 1.0 -2.0 4.5 1 36 ARG+ HA 1 36 ARG+ HD2 1.0 1.0 -2.0 5.5
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