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 |
|
|
8507 |
1mbh   |
cing | 1-original | 2 | unknown | distance | NOE | simple |
; ALL 3.0 4.0 5.0 6.0 A; ME CORRECTION DONE ; HA(I)-HN(I+1) 1 2 ILE HA 1 3 LYS+ HN 1.0 1.0 -2.0 3.0 1 3 LYS+ HA 1 4 GLY HN 1.0 1.0 -2.0 3.0 1 5 PRO HA 1 6 TRP HN 1.0 1.0 -2.0 3.0 1 6 TRP HA 1 7 THR HN 1.0 1.0 -2.0 3.0 1 7 THR HA 1 8 LYS+ HN 1.0 1.0 -2.0 3.0 1 8 LYS+ 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 GLN HN 1.0 1.0 -2.0 4.0 1 12 GLN HA 1 13 ARG+ HN 1.0 1.0 -2.0 4.0 1 13 ARG+ HA 1 14 VAL HN 1.0 1.0 -2.0 4.0 1 14 VAL HA 1 15 ILE HN 1.0 1.0 -2.0 4.0 1 15 ILE HA 1 16 GLU- HN 1.0 1.0 -2.0 4.0 1 16 GLU- HA 1 17 LEU HN 1.0 1.0 -2.0 4.0 1 17 LEU HA 1 18 VAL HN 1.0 1.0 -2.0 4.0 1 18 VAL HA 1 19 GLN HN 1.0 1.0 -2.0 4.0 1 19 GLN HA 1 20 LYS+ HN 1.0 1.0 -2.0 4.0 1 20 LYS+ HA 1 21 TYR HN 1.0 1.0 -2.0 4.0 1 21 TYR HA 1 22 GLY HN 1.0 1.0 -2.0 4.0 1 23 PRO HA 1 24 LYS+ HN 1.0 1.0 -2.0 3.0 1 24 LYS+ HA 1 25 ARG+ HN 1.0 1.0 -2.0 3.0 1 25 ARG+ HA 1 26 TRP HN 1.0 1.0 -2.0 3.0 1 26 TRP HA 1 27 SER HN 1.0 1.0 -2.0 5.0 1 27 SER HA 1 28 VAL HN 1.0 1.0 -2.0 4.0 1 28 VAL HA 1 29 ILE 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 LYS+ HN 1.0 1.0 -2.0 5.0 1 31 LYS+ HA 1 32 HIS HN 1.0 1.0 -2.0 4.0 1 32 HIS HA 1 33 LEU HN 1.0 1.0 -2.0 4.0 1 33 LEU HA 1 34 LYS+ HN 1.0 1.0 -2.0 3.0 1 34 LYS+ HA 1 35 GLY HN 1.0 1.0 -2.0 3.0 1 35 GLY HA1 1 36 ARG+ HN 1.0 1.0 -2.0 4.0 1 35 GLY HA2 1 36 ARG+ HN 1.0 1.0 -2.0 4.0 1 36 ARG+ HA 1 37 ILE HN 1.0 1.0 -2.0 3.0 1 37 ILE HA 1 38 GLY HN 1.0 1.0 -2.0 4.0 1 38 GLY HA2 1 39 LYS+ HN 1.0 1.0 -2.0 4.0 1 38 GLY HA1 1 39 LYS+ HN 1.0 1.0 -2.0 4.0 1 39 LYS+ 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 4.0 1 41 CYS HA 1 42 ARG+ HN 1.0 1.0 -2.0 4.0 1 42 ARG+ HA 1 43 GLU- HN 1.0 1.0 -2.0 5.0 1 43 GLU- 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 HIS HN 1.0 1.0 -2.0 5.0 1 46 HIS HA 1 47 ASN HN 1.0 1.0 -2.0 4.0 1 49 LEU HA 1 50 ASN HN 1.0 1.0 -2.0 4.0 1 51 PRO HA 1 52 GLT HN 1.0 1.0 -2.0 4.0 ; HN(I)-HN(I+1) 1 6 TRP HN 1 7 THR HN 1.0 1.0 -2.0 5.0 1 8 LYS+ HN 1 9 GLU- HN 1.0 1.0 -2.0 3.0 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 GLN HN 1.0 1.0 -2.0 3.0 1 12 GLN HN 1 13 ARG+ HN 1.0 1.0 -2.0 3.0 1 13 ARG+ HN 1 14 VAL HN 1.0 1.0 -2.0 3.0 1 14 VAL HN 1 15 ILE HN 1.0 1.0 -2.0 3.0 1 15 ILE HN 1 16 GLU- HN 1.0 1.0 -2.0 3.0 1 16 GLU- 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 GLN HN 1.0 1.0 -2.0 3.0 1 19 GLN HN 1 20 LYS+ HN 1.0 1.0 -2.0 3.0 1 20 LYS+ HN 1 21 TYR HN 1.0 1.0 -2.0 3.0 1 21 TYR HN 1 22 GLY HN 1.0 1.0 -2.0 3.0 1 25 ARG+ HN 1 26 TRP HN 1.0 1.0 -2.0 4.0 1 26 TRP HN 1 27 SER HN 1.0 1.0 -2.0 4.0 1 27 SER 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 4.0 1 29 ILE HN 1 30 ALA HN 1.0 1.0 -2.0 3.0 1 30 ALA HN 1 31 LYS+ HN 1.0 1.0 -2.0 3.0 1 31 LYS+ HN 1 32 HIS HN 1.0 1.0 -2.0 3.0 1 32 HIS HN 1 33 LEU HN 1.0 1.0 -2.0 3.0 1 33 LEU HN 1 34 LYS+ HN 1.0 1.0 -2.0 4.0 1 34 LYS+ HN 1 35 GLY HN 1.0 1.0 -2.0 5.0 1 35 GLY HN 1 36 ARG+ HN 1.0 1.0 -2.0 3.0 1 36 ARG+ HN 1 37 ILE HN 1.0 1.0 -2.0 5.0 1 38 GLY HN 1 39 LYS+ HN 1.0 1.0 -2.0 4.0 1 39 LYS+ 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 ARG+ HN 1.0 1.0 -2.0 3.0 1 42 ARG+ HN 1 43 GLU- HN 1.0 1.0 -2.0 3.0 1 43 GLU- HN 1 44 ARG+ HN 1.0 1.0 -2.0 3.0 1 44 ARG+ HN 1 45 TRP HN 1.0 1.0 -2.0 3.0 1 45 TRP HN 1 46 HIS HN 1.0 1.0 -2.0 4.0 1 46 HIS HN 1 47 ASN HN 1.0 1.0 -2.0 4.0 1 47 ASN HN 1 48 HIS HN 1.0 1.0 -2.0 4.0 1 48 HIS HN 1 49 LEU HN 1.0 1.0 -2.0 4.0 1 49 LEU HN 1 50 ASN HN 1.0 1.0 -2.0 5.0 ; HB(I)-HN(I+1) 1 3 LYS+ HB1 1 4 GLY HN 1.0 1.0 -2.0 4.5 1 3 LYS+ HB2 1 4 GLY HN 1.0 1.0 -2.0 4.5 1 5 PRO HB1 1 6 TRP HN 1.0 1.0 -2.0 4.5 1 5 PRO 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 LYS+ HN 1.0 1.0 -2.0 4.0 1 8 LYS+ HB2 1 9 GLU- HN 1.0 1.0 -2.0 5.5 1 8 LYS+ HB1 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 4.5 1 9 GLU- HB1 1 10 GLU- HN 1.0 1.0 -2.0 5.5 1 10 GLU- HB2 1 11 ASP- HN 1.0 1.0 -2.0 4.5 1 10 GLU- HB1 1 11 ASP- HN 1.0 1.0 -2.0 4.5 1 11 ASP- HB1 1 12 GLN HN 1.0 1.0 -2.0 4.0 1 11 ASP- HB2 1 12 GLN HN 1.0 1.0 -2.0 4.5 1 12 GLN HB2 1 13 ARG+ HN 1.0 1.0 -2.0 4.5 1 12 GLN HB1 1 13 ARG+ HN 1.0 1.0 -2.0 5.5 1 13 ARG+ HB* 1 14 VAL HN 1.0 1.0 -2.0 5.0 ;+1.0 1 14 VAL HB 1 15 ILE HN 1.0 1.0 -2.0 4.0 1 15 ILE HB 1 16 GLU- HN 1.0 1.0 -2.0 4.5 1 16 GLU- HB2 1 17 LEU HN 1.0 1.0 -2.0 4.5 1 16 GLU- HB1 1 17 LEU HN 1.0 1.0 -2.0 5.5 1 17 LEU HB1 1 18 VAL HN 1.0 1.0 -2.0 4.0 1 17 LEU HB2 1 18 VAL HN 1.0 1.0 -2.0 4.0 1 18 VAL HB 1 19 GLN HN 1.0 1.0 -2.0 5.5 1 19 GLN HB2 1 20 LYS+ HN 1.0 1.0 -2.0 4.5 1 19 GLN HB1 1 20 LYS+ HN 1.0 1.0 -2.0 4.5 1 20 LYS+ HB1 1 21 TYR HN 1.0 1.0 -2.0 4.5 1 20 LYS+ HB2 1 21 TYR HN 1.0 1.0 -2.0 4.0 1 21 TYR HB2 1 22 GLY HN 1.0 1.0 -2.0 4.5 1 21 TYR HB1 1 22 GLY HN 1.0 1.0 -2.0 4.5 1 24 LYS+ HB2 1 25 ARG+ HN 1.0 1.0 -2.0 4.5 1 24 LYS+ HB1 1 25 ARG+ HN 1.0 1.0 -2.0 4.5 1 25 ARG+ HB1 1 26 TRP HN 1.0 1.0 -2.0 5.5 1 25 ARG+ HB2 1 26 TRP HN 1.0 1.0 -2.0 5.5 1 26 TRP HB2 1 27 SER HN 1.0 1.0 -2.0 6.5 1 26 TRP HB1 1 27 SER HN 1.0 1.0 -2.0 4.5 1 27 SER HB* 1 28 VAL HN 1.0 1.0 -2.0 5.5 ;+1.0 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 LYS+ HN 1.0 1.0 -2.0 5.5 ;+1.5 1 31 LYS+ HB1 1 32 HIS HN 1.0 1.0 -2.0 4.5 1 31 LYS+ HB2 1 32 HIS HN 1.0 1.0 -2.0 4.5 1 32 HIS HB2 1 33 LEU HN 1.0 1.0 -2.0 4.5 1 32 HIS HB1 1 33 LEU HN 1.0 1.0 -2.0 4.5 1 33 LEU HB* 1 34 LYS+ HN 1.0 1.0 -2.0 5.0 ;+1.0 1 34 LYS+ HB1 1 35 GLY HN 1.0 1.0 -2.0 5.5 1 34 LYS+ HB2 1 35 GLY HN 1.0 1.0 -2.0 4.5 1 36 ARG+ HB1 1 37 ILE HN 1.0 1.0 -2.0 4.5 1 36 ARG+ HB2 1 37 ILE HN 1.0 1.0 -2.0 4.5 1 37 ILE HB 1 38 GLY HN 1.0 1.0 -2.0 4.0 1 39 LYS+ HB1 1 40 GLN HN 1.0 1.0 -2.0 5.5 1 39 LYS+ HB2 1 40 GLN HN 1.0 1.0 -2.0 4.5 1 40 GLN HB1 1 41 CYS HN 1.0 1.0 -2.0 4.5 1 40 GLN HB2 1 41 CYS HN 1.0 1.0 -2.0 5.5 1 41 CYS HB1 1 42 ARG+ HN 1.0 1.0 -2.0 4.0 1 41 CYS HB2 1 42 ARG+ HN 1.0 1.0 -2.0 4.5 1 42 ARG+ HB2 1 43 GLU- HN 1.0 1.0 -2.0 4.0 1 42 ARG+ HB1 1 43 GLU- HN 1.0 1.0 -2.0 4.5 1 43 GLU- HB* 1 44 ARG+ HN 1.0 1.0 -2.0 5.0 ;+1.0 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 HB2 1 46 HIS HN 1.0 1.0 -2.0 4.5 1 45 TRP HB1 1 46 HIS HN 1.0 1.0 -2.0 4.5 1 46 HIS HB* 1 47 ASN HN 1.0 1.0 -2.0 5.5 ;+1.0 1 47 ASN HB1 1 48 HIS HN 1.0 1.0 -2.0 6.5 1 48 HIS HB* 1 49 LEU HN 1.0 1.0 -2.0 5.5 ;+1.0 1 49 LEU HB* 1 50 ASN HN 1.0 1.0 -2.0 5.5 ;+1.0 1 51 PRO HB* 1 52 GLT HN 1.0 1.0 -2.0 5.5 ;+1.0 ; HA(I)-HN(I+3) 1 8 LYS+ HA 1 11 ASP- HN 1.0 1.0 -2.0 4.0 1 9 GLU- HA 1 12 GLN HN 1.0 1.0 -2.0 4.0 1 10 GLU- HA 1 13 ARG+ HN 1.0 1.0 -2.0 4.0 1 11 ASP- HA 1 14 VAL HN 1.0 1.0 -2.0 4.0 1 12 GLN HA 1 15 ILE HN 1.0 1.0 -2.0 4.0 1 13 ARG+ HA 1 16 GLU- HN 1.0 1.0 -2.0 4.0 1 14 VAL HA 1 17 LEU HN 1.0 1.0 -2.0 4.0 1 15 ILE HA 1 18 VAL HN 1.0 1.0 -2.0 4.0 1 16 GLU- HA 1 19 GLN HN 1.0 1.0 -2.0 4.0 1 17 LEU HA 1 20 LYS+ HN 1.0 1.0 -2.0 4.0 1 18 VAL HA 1 21 TYR 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 SER HA 1 30 ALA HN 1.0 1.0 -2.0 4.0 1 28 VAL HA 1 31 LYS+ HN 1.0 1.0 -2.0 4.0 1 29 ILE HA 1 32 HIS HN 1.0 1.0 -2.0 4.0 1 30 ALA HA 1 33 LEU HN 1.0 1.0 -2.0 4.0 1 38 GLY HA1 1 41 CYS HN 1.0 1.0 -2.0 6.0 1 38 GLY HA2 1 41 CYS HN 1.0 1.0 -2.0 6.0 1 39 LYS+ HA 1 42 ARG+ HN 1.0 1.0 -2.0 4.0 1 40 GLN HA 1 43 GLU- HN 1.0 1.0 -2.0 4.0 1 41 CYS HA 1 44 ARG+ HN 1.0 1.0 -2.0 6.0 1 42 ARG+ HA 1 45 TRP HN 1.0 1.0 -2.0 5.0 1 43 GLU- HA 1 46 HIS HN 1.0 1.0 -2.0 4.0 1 44 ARG+ HA 1 47 ASN HN 1.0 1.0 -2.0 6.0 ; HA(I)-HB(I+3) 1 8 LYS+ HA 1 11 ASP- HB1 1.0 1.0 -2.0 4.5 1 8 LYS+ HA 1 11 ASP- HB2 1.0 1.0 -2.0 4.5 1 9 GLU- HA 1 12 GLN HB2 1.0 1.0 -2.0 5.5 1 10 GLU- HA 1 13 ARG+ HB* 1.0 1.0 -2.0 5.5 ;+1.0 1 11 ASP- HA 1 14 VAL HB 1.0 1.0 -2.0 4.5 1 13 ARG+ HA 1 16 GLU- HB2 1.0 1.0 -2.0 4.5 1 13 ARG+ HA 1 16 GLU- HB1 1.0 1.0 -2.0 4.5 1 14 VAL HA 1 17 LEU HB1 1.0 1.0 -2.0 4.5 1 14 VAL HA 1 17 LEU HB2 1.0 1.0 -2.0 5.5 1 15 ILE HA 1 18 VAL HB 1.0 1.0 -2.0 4.5 1 17 LEU HA 1 20 LYS+ HB1 1.0 1.0 -2.0 4.5 1 17 LEU HA 1 20 LYS+ HB2 1.0 1.0 -2.0 5.5 1 18 VAL HA 1 21 TYR HB1 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 27 SER HA 1 30 ALA HB* 1.0 1.0 -2.0 6.0 ;+1.5 1 28 VAL HA 1 31 LYS+ HB1 1.0 1.0 -2.0 4.5 1 28 VAL HA 1 31 LYS+ HB2 1.0 1.0 -2.0 4.5 1 29 ILE HA 1 32 HIS HB2 1.0 1.0 -2.0 5.5 1 29 ILE HA 1 32 HIS HB1 1.0 1.0 -2.0 4.5 1 30 ALA HA 1 33 LEU HB* 1.0 1.0 -2.0 5.5 ;+1.0 1 33 LEU HA 1 36 ARG+ HB1 1.0 1.0 -2.0 5.5 1 38 GLY HA1 1 41 CYS HB2 1.0 1.0 -2.0 5.5 ;+1.0 1 39 LYS+ HA 1 42 ARG+ HB2 1.0 1.0 -2.0 4.5 1 39 LYS+ HA 1 42 ARG+ HB1 1.0 1.0 -2.0 4.5 1 40 GLN HA 1 43 GLU- HB* 1.0 1.0 -2.0 5.5 ;+1.0 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 ARG+ HA 1 45 TRP HB2 1.0 1.0 -2.0 4.5 1 42 ARG+ HA 1 45 TRP HB1 1.0 1.0 -2.0 4.5 1 43 GLU- HA 1 46 HIS HB* 1.0 1.0 -2.0 5.5 ;+1.0 1 44 ARG+ HA 1 47 ASN HB1 1.0 1.0 -2.0 4.5 ; HA(I)-HN(I+2) 1 7 THR HA 1 9 GLU- HN 1.0 1.0 -2.0 5.0 1 8 LYS+ 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 11 ASP- HA 1 13 ARG+ HN 1.0 1.0 -2.0 5.0 1 14 VAL HA 1 16 GLU- HN 1.0 1.0 -2.0 5.0 1 16 GLU- HA 1 18 VAL HN 1.0 1.0 -2.0 5.0 1 17 LEU HA 1 19 GLN HN 1.0 1.0 -2.0 5.0 1 18 VAL HA 1 20 LYS+ HN 1.0 1.0 -2.0 5.0 1 24 LYS+ HA 1 26 TRP HN 1.0 1.0 -2.0 5.0 1 25 ARG+ HA 1 27 SER HN 1.0 1.0 -2.0 4.0 1 26 TRP HA 1 28 VAL HN 1.0 1.0 -2.0 5.0 1 27 SER HA 1 29 ILE HN 1.0 1.0 -2.0 5.0 1 28 VAL HA 1 30 ALA HN 1.0 1.0 -2.0 5.0 1 29 ILE HA 1 31 LYS+ HN 1.0 1.0 -2.0 5.0 1 30 ALA HA 1 32 HIS HN 1.0 1.0 -2.0 5.0 1 32 HIS HA 1 34 LYS+ HN 1.0 1.0 -2.0 6.0 1 34 LYS+ HA 1 36 ARG+ HN 1.0 1.0 -2.0 5.0 1 41 CYS HA 1 43 GLU- HN 1.0 1.0 -2.0 6.0 1 42 ARG+ HA 1 44 ARG+ HN 1.0 1.0 -2.0 6.0 ; HN(I)-HN(I+2) 1 8 LYS+ 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 12 GLN HN 1 14 VAL HN 1.0 1.0 -2.0 5.0 1 13 ARG+ HN 1 15 ILE HN 1.0 1.0 -2.0 5.0 1 14 VAL HN 1 16 GLU- HN 1.0 1.0 -2.0 5.0 1 15 ILE HN 1 17 LEU HN 1.0 1.0 -2.0 5.0 1 16 GLU- HN 1 18 VAL HN 1.0 1.0 -2.0 5.0 1 17 LEU HN 1 19 GLN HN 1.0 1.0 -2.0 5.0 1 18 VAL HN 1 20 LYS+ HN 1.0 1.0 -2.0 5.0 1 19 GLN HN 1 21 TYR HN 1.0 1.0 -2.0 5.0 1 20 LYS+ HN 1 22 GLY 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 30 ALA HN 1 32 HIS HN 1.0 1.0 -2.0 5.0 1 31 LYS+ HN 1 33 LEU HN 1.0 1.0 -2.0 5.0 1 32 HIS HN 1 34 LYS+ HN 1.0 1.0 -2.0 6.0 1 34 LYS+ HN 1 36 ARG+ HN 1.0 1.0 -2.0 6.0 1 39 LYS+ HN 1 41 CYS HN 1.0 1.0 -2.0 6.0 1 40 GLN HN 1 42 ARG+ 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 LYS+ HN 1 11 ASP- HN 1.0 1.0 -2.0 5.0 1 9 GLU- HN 1 12 GLN HN 1.0 1.0 -2.0 5.0 1 13 ARG+ HN 1 16 GLU- HN 1.0 1.0 -2.0 6.0 1 15 ILE HN 1 18 VAL HN 1.0 1.0 -2.0 6.0 1 16 GLU- HN 1 19 GLN HN 1.0 1.0 -2.0 6.0 1 17 LEU HN 1 20 LYS+ HN 1.0 1.0 -2.0 5.0 1 19 GLN HN 1 22 GLY HN 1.0 1.0 -2.0 6.0 1 37 ILE HN 1 40 GLN HN 1.0 1.0 -2.0 5.0 1 40 GLN HN 1 43 GLU- HN 1.0 1.0 -2.0 6.0 1 41 CYS HN 1 44 ARG+ HN 1.0 1.0 -2.0 5.0 ; HN(I)-HN(I+4) 1 18 VAL HN 1 22 GLY HN 1.0 1.0 -2.0 6.0 ; HA(I)-HN(I+4) 1 8 LYS+ HA 1 12 GLN HN 1.0 1.0 -2.0 4.0 1 9 GLU- HA 1 13 ARG+ HN 1.0 1.0 -2.0 5.0 1 10 GLU- HA 1 14 VAL HN 1.0 1.0 -2.0 5.0 1 11 ASP- HA 1 15 ILE HN 1.0 1.0 -2.0 5.0 1 13 ARG+ HA 1 17 LEU HN 1.0 1.0 -2.0 5.0 1 14 VAL HA 1 18 VAL HN 1.0 1.0 -2.0 5.0 1 15 ILE HA 1 19 GLN HN 1.0 1.0 -2.0 5.0 1 16 GLU- HA 1 20 LYS+ HN 1.0 1.0 -2.0 5.0 1 17 LEU HA 1 21 TYR HN 1.0 1.0 -2.0 5.0 1 18 VAL HA 1 22 GLY HN 1.0 1.0 -2.0 3.0 1 26 TRP HA 1 30 ALA HN 1.0 1.0 -2.0 4.0 1 27 SER HA 1 31 LYS+ HN 1.0 1.0 -2.0 5.0 1 40 GLN HA 1 44 ARG+ HN 1.0 1.0 -2.0 6.0 1 41 CYS HA 1 45 TRP HN 1.0 1.0 -2.0 5.0 1 42 ARG+ HA 1 46 HIS HN 1.0 1.0 -2.0 6.0 1 43 GLU- HA 1 47 ASN HN 1.0 1.0 -2.0 5.0 1 44 ARG+ HA 1 48 HIS HN 1.0 1.0 -2.0 6.0 ; OTHERS 1 3 LYS+ HN 1 2 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 4 GLY HN 1 3 LYS+ HG1 1.0 1.0 -2.0 6.5 1 4 GLY HN 1 3 LYS+ HG2 1.0 1.0 -2.0 6.5 1 4 GLY HN 1 7 THR HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 4 GLY HN 1 2 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 6 TRP HN 1 5 PRO HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HN 1 3 LYS+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HN 1 7 THR HG2* 1.0 1.0 -2.0 8.0 ;+1.5 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 7 THR HN 1 6 TRP HE3 1.0 1.0 -2.0 4.5 1 7 THR HN 1 10 GLU- HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 8 LYS+ HN 1 9 GLU- HB2 1.0 1.0 -2.0 6.5 1 8 LYS+ HN 1 9 GLU- HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 8 LYS+ HN 1 7 THR HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 9 GLU- HN 1 11 ASP- HB2 1.0 1.0 -2.0 6.5 1 9 GLU- HN 1 8 LYS+ HD* 1.0 1.0 -2.0 7.5 ;+1.0 1 9 GLU- HN 1 8 LYS+ HG* 1.0 1.0 -2.0 5.5 ;+1.0 1 9 GLU- HN 1 7 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 9 GLU- HN 1 7 THR HB 1.0 1.0 -2.0 4.0 1 10 GLU- HN 1 7 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 10 GLU- HN 1 7 THR HB 1.0 1.0 -2.0 5.5 1 10 GLU- HN 1 9 GLU- HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 10 GLU- HN 1 6 TRP HZ3 1.0 1.0 -2.0 6.5 1 11 ASP- HN 1 6 TRP HE3 1.0 1.0 -2.0 5.5 1 11 ASP- HN 1 9 GLU- HB2 1.0 1.0 -2.0 5.5 1 11 ASP- HN 1 9 GLU- HB1 1.0 1.0 -2.0 6.5 1 11 ASP- HN 1 10 GLU- HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 11 ASP- HN 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 1 11 ASP- HN 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 1 11 ASP- HN 1 44 ARG+ HG1 1.0 1.0 -2.0 6.5 ;# 1 12 GLN HN 1 13 ARG+ HA 1.0 1.0 -2.0 6.0 1 12 GLN HN 1 8 LYS+ HB2 1.0 1.0 -2.0 6.5 1 12 GLN HN 1 13 ARG+ HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 12 GLN HN 1 8 LYS+ HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 12 GLN HN 1 15 ILE HG1* 1.0 1.0 -2.0 6.5 ;+1.0 1 12 GLN HN 1 15 ILE HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 12 GLN HN 1 15 ILE HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 12 GLN HN 1 49 LEU HD* 1.0 1.0 -2.0 9.4 ;+3.9 1 13 ARG+ HN 1 12 GLN HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 13 ARG+ HN 1 11 ASP- HB1 1.0 1.0 -2.0 5.5 1 13 ARG+ HN 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 13 ARG+ HN 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 14 VAL HN 1 6 TRP HZ3 1.0 1.0 -2.0 6.5 1 14 VAL HN 1 15 ILE HB 1.0 1.0 -2.0 5.5 1 14 VAL HN 1 17 LEU HG 1.0 1.0 -2.0 5.5 1 14 VAL HN 1 13 ARG+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 14 VAL HN 1 33 LEU HD* 1.0 1.0 -2.0 9.4 ;+1.5 1 14 VAL HN 1 49 LEU HD* 1.0 1.0 -2.0 9.4 ;+3.9 1 14 VAL HN 1 17 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 14 VAL HN 1 17 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5 1 15 ILE HN 1 45 TRP HZ3 1.0 1.0 -2.0 5.5 1 15 ILE HN 1 14 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5 1 15 ILE HN 1 14 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 15 ILE HN 1 49 LEU HD* 1.0 1.0 -2.0 9.4 ;+3.9 1 16 GLU- HN 1 17 LEU HG 1.0 1.0 -2.0 5.5 1 16 GLU- HN 1 17 LEU HB2 1.0 1.0 -2.0 6.5 1 16 GLU- HN 1 15 ILE HG1* 1.0 1.0 -2.0 6.5 ;+1.0 1 16 GLU- HN 1 15 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 16 GLU- HN 1 15 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 17 LEU HN 1 21 TYR HD* 1.0 1.0 -2.0 8.5 ;+2.0 1 17 LEU HN 1 14 VAL HB 1.0 1.0 -2.0 6.5 1 17 LEU HN 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 17 LEU HN 1 15 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 17 LEU HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 17 LEU HN 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 18 VAL HN 1 19 GLN HA 1.0 1.0 -2.0 6.0 1 18 VAL HN 1 19 GLN HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 18 VAL HN 1 52 GLT HG* 1.0 1.0 -2.0 7.5 1 18 VAL HN 1 16 GLU- HB2 1.0 1.0 -2.0 7.5 1 18 VAL HN 1 17 LEU HG 1.0 1.0 -2.0 5.5 1 18 VAL HN 1 20 LYS+ HB1 1.0 1.0 -2.0 5.5 1 18 VAL HN 1 29 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 18 VAL HN 1 15 ILE HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 18 VAL HN 1 17 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 18 VAL HN 1 17 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 18 VAL HN 1 29 ILE HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 19 GLN HN 1 20 LYS+ HB2 1.0 1.0 -2.0 5.5 1 19 GLN HN 1 20 LYS+ HB1 1.0 1.0 -2.0 5.5 1 19 GLN HN 1 15 ILE HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 19 GLN HN 1 15 ILE HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 19 GLN HN 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 19 GLN HN 1 18 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 19 GLN HN 1 29 ILE HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 20 LYS+ HN 1 17 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 20 LYS+ HN 1 17 LEU HD2* 1.0 1.0 -2.0 7.0; ;1.5 1 21 TYR HN 1 22 GLY HA2 1.0 1.0 -2.0 6.0 ;+1.0 1 21 TYR HN 1 20 LYS+ HD2 1.0 1.0 -2.0 6.5 1 21 TYR HN 1 20 LYS+ HD1 1.0 1.0 -2.0 6.5 1 21 TYR HN 1 17 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 21 TYR HN 1 17 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 21 TYR HN 1 20 LYS+ HG2 1.0 1.0 -2.0 6.5 1 21 TYR HN 1 20 LYS+ HG1 1.0 1.0 -2.0 5.5 1 21 TYR HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 21 TYR HN 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 22 GLY HN 1 21 TYR HD* 1.0 1.0 -2.0 7.5 ;+2.0 1 22 GLY HN 1 23 PRO HD2 1.0 1.0 -2.0 5.0 1 22 GLY HN 1 23 PRO HD1 1.0 1.0 -2.0 5.0 1 22 GLY HN 1 20 LYS+ HB1 1.0 1.0 -2.0 6.5 1 22 GLY HN 1 20 LYS+ HB2 1.0 1.0 -2.0 5.5 1 22 GLY HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 22 GLY HN 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 22 GLY HN 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 24 LYS+ HN 1 25 ARG+ HB1 1.0 1.0 -2.0 6.5 1 24 LYS+ HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 25 ARG+ HN 1 24 LYS+ HG* 1.0 1.0 -2.0 5.5 ;+1.0 1 25 ARG+ HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 26 TRP HN 1 25 ARG+ HG1 1.0 1.0 -2.0 5.5 1 26 TRP HN 1 25 ARG+ HG2 1.0 1.0 -2.0 5.5 1 26 TRP HN 1 24 LYS+ HD* 1.0 1.0 -2.0 7.5 1 26 TRP HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 27 SER HN 1 28 VAL HA 1.0 1.0 -2.0 6.0 1 27 SER HN 1 30 ALA HB* 1.0 1.0 -2.0 7.0 ;+1.5 1 27 SER HN 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 27 SER HN 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 28 VAL HN 1 29 ILE HB 1.0 1.0 -2.0 5.5 1 28 VAL HN 1 25 ARG+ HB2 1.0 1.0 -2.0 5.5 1 28 VAL HN 1 29 ILE HG11 1.0 1.0 -2.0 6.5 1 28 VAL HN 1 29 ILE HG12 1.0 1.0 -2.0 5.5 1 29 ILE HN 1 30 ALA HA 1.0 1.0 -2.0 6.0 1 29 ILE HN 1 25 ARG+ HB2 1.0 1.0 -2.0 6.5 1 29 ILE HN 1 28 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5 1 29 ILE HN 1 28 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 30 ALA HN 1 26 TRP HE3 1.0 1.0 -2.0 5.5 1 30 ALA HN 1 38 GLY HA* 1.0 1.0 -2.0 6.0 ;+1.0 1 30 ALA HN 1 28 VAL HB 1.0 1.0 -2.0 5.5 1 30 ALA HN 1 31 LYS+ HB1 1.0 1.0 -2.0 6.5 1 30 ALA HN 1 31 LYS+ HB2 1.0 1.0 -2.0 6.5 1 30 ALA HN 1 33 LEU HB* 1.0 1.0 -2.0 7.5 ;+1.0 1 30 ALA HN 1 29 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 30 ALA HN 1 29 ILE HG11 1.0 1.0 -2.0 5.5 1 30 ALA HN 1 28 VAL HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 30 ALA HN 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 30 ALA HN 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 31 LYS+ HN 1 32 HIS HA 1.0 1.0 -2.0 6.0 1 31 LYS+ HN 1 32 HIS HB1 1.0 1.0 -2.0 5.5 1 31 LYS+ HN 1 29 ILE HB 1.0 1.0 -2.0 6.5 1 31 LYS+ HN 1 29 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 31 LYS+ HN 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 31 LYS+ HN 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 31 LYS+ HN 1 17 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 32 HIS HN 1 33 LEU HA 1.0 1.0 -2.0 5.0 1 32 HIS HN 1 33 LEU HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 32 HIS HN 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 32 HIS HN 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 32 HIS HN 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HN 1 17 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 32 HIS HN 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 33 LEU HN 1 34 LYS+ HG1 1.0 1.0 -2.0 6.5 1 33 LEU HN 1 34 LYS+ HG2 1.0 1.0 -2.0 6.5 1 33 LEU HN 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 34 LYS+ HN 1 13 ARG+ HD* 1.0 1.0 -2.0 7.5 ;+1.0 1 34 LYS+ HN 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 34 LYS+ HN 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 35 GLY HN 1 33 LEU HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 35 GLY HN 1 34 LYS+ HG1 1.0 1.0 -2.0 5.5 1 35 GLY HN 1 34 LYS+ HG2 1.0 1.0 -2.0 5.5 1 37 ILE HN 1 40 GLN HB1 1.0 1.0 -2.0 5.5 1 37 ILE HN 1 40 GLN HG1 1.0 1.0 -2.0 5.5 1 37 ILE HN 1 40 GLN HG2 1.0 1.0 -2.0 5.5 1 38 GLY HN 1 27 SER HA 1.0 1.0 -2.0 5.0 1 38 GLY HN 1 30 ALA HB* 1.0 1.0 -2.0 6.0 ;+1.5 1 38 GLY HN 1 37 ILE HG1* 1.0 1.0 -2.0 6.5 ;+1.0 1 38 GLY HN 1 37 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 39 LYS+ HN 1 40 GLN HA 1.0 1.0 -2.0 6.0 1 39 LYS+ HN 1 40 GLN HG1 1.0 1.0 -2.0 6.5 1 39 LYS+ HN 1 40 GLN HG2 1.0 1.0 -2.0 6.5 1 39 LYS+ HN 1 37 ILE HB 1.0 1.0 -2.0 5.5 1 39 LYS+ HN 1 37 ILE HG1* 1.0 1.0 -2.0 5.5 ;+1.0 1 39 LYS+ HN 1 37 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 39 LYS+ HN 1 26 TRP HB1 1.0 1.0 -2.0 6.5 1 39 LYS+ HN 1 26 TRP HB2 1.0 1.0 -2.0 6.5 1 40 GLN HN 1 37 ILE HB 1.0 1.0 -2.0 6.5 1 40 GLN HN 1 37 ILE HG1* 1.0 1.0 -2.0 5.0 ;+1.0 1 40 GLN HN 1 37 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 40 GLN HN 1 36 ARG+ HB1 1.0 1.0 -2.0 6.5 1 41 CYS HN 1 40 GLN HE21 1.0 1.0 -2.0 6.5 1 41 CYS HN 1 6 TRP HH2 1.0 1.0 -2.0 6.5 1 41 CYS HN 1 36 ARG+ HB2 1.0 1.0 -2.0 6.5 1 41 CYS HN 1 30 ALA HB* 1.0 1.0 -2.0 7.0 ;+1.5 1 41 CYS HN 1 36 ARG+ HG1 1.0 1.0 -2.0 6.5 1 41 CYS HN 1 40 GLN HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 42 ARG+ HN 1 26 TRP HD1 1.0 1.0 -2.0 5.5 1 42 ARG+ HN 1 26 TRP HE3 1.0 1.0 -2.0 5.5 1 42 ARG+ HN 1 26 TRP HZ3 1.0 1.0 -2.0 6.5 1 42 ARG+ HN 1 26 TRP HB2 1.0 1.0 -2.0 5.5 1 43 GLU- HN 1 44 ARG+ HB1 1.0 1.0 -2.0 6.5 1 43 GLU- HN 1 42 ARG+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 43 GLU- HN 1 46 HIS HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 44 ARG+ HN 1 41 CYS HB1 1.0 1.0 -2.0 6.5 1 44 ARG+ HN 1 41 CYS HB2 1.0 1.0 -2.0 6.5 1 44 ARG+ HN 1 43 GLU- HG* 1.0 1.0 -2.0 6.5 1 45 TRP HN 1 26 TRP HZ3 1.0 1.0 -2.0 5.5 1 45 TRP HN 1 26 TRP HH2 1.0 1.0 -2.0 5.5 1 45 TRP HN 1 42 ARG+ HD* 1.0 1.0 -2.0 7.5 ;+1.0 1 45 TRP HN 1 41 CYS HB2 1.0 1.0 -2.0 6.5 1 45 TRP HN 1 18 VAL HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 47 ASN HN 1 48 HIS HD2 1.0 1.0 -2.0 6.5 1 47 ASN HN 1 43 GLU- HB* 1.0 1.0 -2.0 7.5 ;+1.0 1 47 ASN HN 1 50 ASN HB2 1.0 1.0 -2.0 6.5 1 47 ASN HN 1 44 ARG+ HB2 1.0 1.0 -2.0 6.5 1 48 HIS HN 1 47 ASN HD21 1.0 1.0 -2.0 5.5 1 48 HIS HN 1 47 ASN HD22 1.0 1.0 -2.0 6.5 1 36 ARG+ HE 1 40 GLN HG1 1.0 1.0 -2.0 6.5 1 36 ARG+ HE 1 40 GLN HG2 1.0 1.0 -2.0 6.5 1 36 ARG+ HE 1 40 GLN HE22 1.0 1.0 -2.0 5.5 1 44 ARG+ HE 1 11 ASP- HN 1.0 1.0 -2.0 5.5 1 44 ARG+ HE 1 6 TRP HE3 1.0 1.0 -2.0 5.5 1 44 ARG+ HE 1 6 TRP HD1 1.0 1.0 -2.0 6.5 1 44 ARG+ HE 1 48 HIS HD2 1.0 1.0 -2.0 5.5 1 44 ARG+ HE 1 11 ASP- HA 1.0 1.0 -2.0 6.5 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 5.5 1 44 ARG+ HE 1 11 ASP- HB1 1.0 1.0 -2.0 5.5 1 44 ARG+ HE 1 11 ASP- HB2 1.0 1.0 -2.0 5.5 1 44 ARG+ HE 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 44 ARG+ HE 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 44 ARG+ HH11 1 6 TRP HD1 1.0 1.0 -2.0 6.5 1 44 ARG+ HH12 1 6 TRP HD1 1.0 1.0 -2.0 6.5 1 44 ARG+ HH11 1 48 HIS HD2 1.0 1.0 -2.0 6.5 1 44 ARG+ HH12 1 48 HIS HD2 1.0 1.0 -2.0 6.5 1 44 ARG+ HH11 1 6 TRP HB1 1.0 1.0 -2.0 6.5 1 44 ARG+ HH12 1 6 TRP HB1 1.0 1.0 -2.0 6.5 1 44 ARG+ HH11 1 6 TRP HB2 1.0 1.0 -2.0 6.5 1 44 ARG+ HH12 1 6 TRP HB2 1.0 1.0 -2.0 6.5 1 44 ARG+ HH11 1 11 ASP- HB1 1.0 1.0 -2.0 7.5 1 44 ARG+ HH12 1 11 ASP- HB1 1.0 1.0 -2.0 7.5 1 36 ARG+ HH11 1 44 ARG+ HD2 1.0 1.0 -2.0 6.5 ;# 1 36 ARG+ HH12 1 44 ARG+ HD2 1.0 1.0 -2.0 6.5 ;# 1 36 ARG+ HH11 1 6 TRP HA 1.0 1.0 -2.0 6.5 1 36 ARG+ HH12 1 6 TRP HA 1.0 1.0 -2.0 6.5 1 12 GLN HE22 1 15 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 12 GLN HE21 1 15 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 12 GLN HE21 1 15 ILE HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 12 GLN HE22 1 15 ILE HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 19 GLN HE22 1 15 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 19 GLN HE21 1 15 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 19 GLN HE21 1 16 GLU- HA 1.0 1.0 -2.0 5.5 1 19 GLN HE22 1 16 GLU- HA 1.0 1.0 -2.0 5.5 1 40 GLN HE21 1 1 LEU HD* 1.0 1.0 -2.0 9.4 ;+1.5 1 40 GLN HE21 1 2 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 47 ASN HD21 1 43 GLU- HG1 1.0 1.0 -2.0 4.5 1 47 ASN HD22 1 43 GLU- HG1 1.0 1.0 -2.0 5.5 1 47 ASN HD21 1 43 GLU- HG2 1.0 1.0 -2.0 4.5 1 47 ASN HD22 1 43 GLU- HG2 1.0 1.0 -2.0 4.5 1 47 ASN HD21 1 43 GLU- HB* 1.0 1.0 -2.0 5.5 ;+1.0 1 47 ASN HD22 1 43 GLU- HB* 1.0 1.0 -2.0 5.5 ;+1.0 1 47 ASN HD21 1 43 GLU- HA 1.0 1.0 -2.0 4.5 1 47 ASN HD22 1 43 GLU- HA 1.0 1.0 -2.0 4.5 1 47 ASN HD21 1 42 ARG+ HD* 1.0 1.0 -2.0 6.5 1 47 ASN HD22 1 42 ARG+ HD* 1.0 1.0 -2.0 6.5 1 50 ASN HD2* 1 46 HIS HA 1.0 1.0 -2.0 6.5 ;+1.0 1 50 ASN HD2* 1 23 PRO HB* 1.0 1.0 -2.0 7.5 ;+2.0 1 52 GLT HT1 1 51 PRO HA 1.0 1.0 -2.0 5.5 1 52 GLT HT2 1 51 PRO HA 1.0 1.0 -2.0 5.5 1 52 GLT HT1 1 51 PRO HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 52 GLT HT2 1 51 PRO HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HE1 1 44 ARG+ HN 1.0 1.0 -2.0 6.5 1 6 TRP HE1 1 40 GLN HB1 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 40 GLN HB2 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HD1 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HD2 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 44 ARG+ HB1 1.0 1.0 -2.0 5.5 1 6 TRP HE1 1 36 ARG+ HD1 1.0 1.0 -2.0 6.5 1 6 TRP HE1 1 36 ARG+ HD2 1.0 1.0 -2.0 6.5 1 6 TRP HE1 1 40 GLN HA 1.0 1.0 -2.0 6.5 1 6 TRP HE1 1 36 ARG+ HB2 1.0 1.0 -2.0 6.5 1 26 TRP HE1 1 42 ARG+ HN 1.0 1.0 -2.0 6.5 1 26 TRP HE1 1 24 LYS+ HN 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 46 HIS HD2 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 24 LYS+ HA 1.0 1.0 -2.0 4.5 1 26 TRP HE1 1 42 ARG+ HD1 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 ARG+ HD2 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 ARG+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 ARG+ HG1 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 ARG+ HG2 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 ARG+ HB2 1.0 1.0 -2.0 5.5 1 26 TRP HE1 1 42 ARG+ HB1 1.0 1.0 -2.0 5.5 1 45 TRP HE1 1 46 HIS HE1 1.0 1.0 -2.0 6.5 1 45 TRP HE1 1 50 ASN HD2* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HE1 1 46 HIS HD2 1.0 1.0 -2.0 6.5 1 45 TRP HE1 1 26 TRP HH2 1.0 1.0 -2.0 5.5 1 45 TRP HE1 1 51 PRO HD* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HE1 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HE1 1 18 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 45 TRP HE1 1 50 ASN HB2 1.0 1.0 -2.0 6.5 1 45 TRP HE1 1 50 ASN HB1 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 5 PRO HA 1.0 1.0 -2.0 4.5 1 6 TRP HD1 1 44 ARG+ HD1 1.0 1.0 -2.0 5.5 ;# 1 6 TRP HD1 1 44 ARG+ HD2 1.0 1.0 -2.0 4.5 ;# 1 6 TRP HD1 1 44 ARG+ HB2 1.0 1.0 -2.0 6.5 1 6 TRP HD1 1 44 ARG+ HB1 1.0 1.0 -2.0 5.5 1 6 TRP HD1 1 44 ARG+ HG1 1.0 1.0 -2.0 5.5 ;# 1 6 TRP HD1 1 44 ARG+ HG2 1.0 1.0 -2.0 6.5 ;# 1 6 TRP HD1 1 5 PRO HB1 1.0 1.0 -2.0 6.5 1 6 TRP HD1 1 5 PRO HB2 1.0 1.0 -2.0 6.5 1 6 TRP HD1 1 5 PRO HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 6 TRP HD1 1 36 ARG+ HD1 1.0 1.0 -2.0 6.5 1 6 TRP HD1 1 36 ARG+ HD2 1.0 1.0 -2.0 6.5 1 6 TRP HE3 1 11 ASP- HA 1.0 1.0 -2.0 4.5 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 4.0 1 6 TRP HE3 1 10 GLU- HB1 1.0 1.0 -2.0 4.5 1 6 TRP HE3 1 44 ARG+ HD2 1.0 1.0 -2.0 4.5 ;# 1 6 TRP HE3 1 44 ARG+ HD1 1.0 1.0 -2.0 6.5 ;# 1 6 TRP HE3 1 14 VAL HB 1.0 1.0 -2.0 5.5 1 6 TRP HE3 1 10 GLU- HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 6 TRP HE3 1 14 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 6 TRP HE3 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HE3 1 7 THR HG2* 1.0 1.0 -2.0 8.0 ;+1.0 1 6 TRP HE3 1 33 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 6 TRP HE3 1 33 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5 1 6 TRP HE3 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 6 TRP HE3 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5 1 6 TRP HE3 1 44 ARG+ HG2 1.0 1.0 -2.0 5.5 ;# 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 10 GLU- HA 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 14 VAL HA 1.0 1.0 -2.0 6.5 1 6 TRP HZ3 1 41 CYS HB2 1.0 1.0 -2.0 6.5 1 6 TRP HZ3 1 10 GLU- HB1 1.0 1.0 -2.0 5.5 1 6 TRP HZ3 1 10 GLU- HB2 1.0 1.0 -2.0 4.5 1 6 TRP HZ3 1 44 ARG+ HD2 1.0 1.0 -2.0 6.5 ;# 1 6 TRP HZ3 1 13 ARG+ HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HZ3 1 10 GLU- HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HZ3 1 33 LEU HG 1.0 1.0 -2.0 6.5 1 6 TRP HZ3 1 33 LEU HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HZ3 1 14 VAL HG2* 1.0 1.0 -2.0 5.5 ;+1.5 1 6 TRP HZ3 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HZ3 1 7 THR HG2* 1.0 1.0 -2.0 8.0 ;+2.0 1 6 TRP HZ3 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HZ3 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HZ3 1 49 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 6 TRP HZ3 1 49 LEU HD2* 1.0 1.0 -2.0 8.0 ;+1.5 1 6 TRP HH2 1 41 CYS HA 1.0 1.0 -2.0 4.0 1 6 TRP HH2 1 10 GLU- HA 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 41 CYS HB1 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 41 CYS HB2 1.0 1.0 -2.0 4.5 1 6 TRP HH2 1 40 GLN HB1 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 40 GLN HB2 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 36 ARG+ HD1 1.0 1.0 -2.0 6.5 ;$ 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 6.5 1 6 TRP HH2 1 33 LEU HG 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 14 VAL HG2* 1.0 1.0 -2.0 5.5 ;+1.5 1 6 TRP HH2 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HH2 1 36 ARG+ HG1 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 36 ARG+ HG2 1.0 1.0 -2.0 6.5 1 6 TRP HH2 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HH2 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 6 TRP HH2 1 33 LEU HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HH2 1 44 ARG+ HB1 1.0 1.0 -2.0 5.5 1 6 TRP HH2 1 13 ARG+ HB* 1.0 1.0 -2.0 7.5 1 6 TRP HZ2 1 36 ARG+ HA 1.0 1.0 -2.0 6.5 1 6 TRP HZ2 1 40 GLN 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 44 ARG+ HA 1.0 1.0 -2.0 6.5 1 6 TRP HZ2 1 41 CYS HB2 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 40 GLN HB1 1.0 1.0 -2.0 4.5 1 6 TRP HZ2 1 40 GLN HB2 1.0 1.0 -2.0 4.0 1 6 TRP HZ2 1 40 GLN HG1 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 40 GLN HG2 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 36 ARG+ HD1 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 33 LEU HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 6 TRP HZ2 1 44 ARG+ HB1 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 44 ARG+ HB2 1.0 1.0 -2.0 5.5 1 6 TRP HZ2 1 33 LEU HD* 1.0 1.0 -2.0 8.4 ;3.95 1 6 TRP HZ2 1 14 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 6 TRP HZ2 1 44 ARG+ HD1 1.0 1.0 -2.0 6.5 ;# 1 21 TYR HD* 1 32 HIS HE1 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HD* 1 32 HIS HD2 1.0 1.0 -2.0 8.5 ;+2.0 1 21 TYR HD* 1 17 LEU HA 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 20 LYS+ HA 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HD* 1 14 VAL HA 1.0 1.0 -2.0 8.5 ;+2.0 1 21 TYR HD* 1 29 ILE HA 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 18 VAL HA 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HD* 1 25 ARG+ HD* 1.0 1.0 -2.0 8.5 ;+3.0 1 21 TYR HD* 1 17 LEU HB1 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 17 LEU HB2 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 17 LEU HG 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HD* 1 25 ARG+ HB2 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HD* 1 20 LYS+ HB1 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HD* 1 20 LYS+ HB2 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 29 ILE HG11 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 29 ILE HG12 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 29 ILE HG2* 1.0 1.0 -2.0 9.0 ;+3.5 1 21 TYR HD* 1 20 LYS+ HD* 1.0 1.0 -2.0 8.5 ;+3.0 1 21 TYR HD* 1 17 LEU HD1* 1.0 1.0 -2.0 9.0 ;+3.5 1 21 TYR HD* 1 17 LEU HD2* 1.0 1.0 -2.0 8.0 ;+3.5 1 21 TYR HD* 1 28 VAL HG2* 1.0 1.0 -2.0 9.0 ;+3.5 1 21 TYR HD* 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ;+3.5 1 21 TYR HD* 1 18 VAL HG2* 1.0 1.0 -2.0 9.0 ;+3.5 1 21 TYR HD* 1 20 LYS+ HG1 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HD* 1 29 ILE HD1* 1.0 1.0 -2.0 8.0 ;+3.5 1 21 TYR HE* 1 17 LEU HA 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HE* 1 20 LYS+ HA 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 29 ILE HA 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 18 VAL HA 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 20 LYS+ HE* 1.0 1.0 -2.0 7.5 ;+3.0 1 21 TYR HE* 1 29 ILE HB 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 17 LEU HG 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 20 LYS+ HB1 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 20 LYS+ HB2 1.0 1.0 -2.0 7.5 ;+2.0 1 21 TYR HE* 1 17 LEU HB1 1.0 1.0 -2.0 8.5 ;+2.0 1 21 TYR HE* 1 17 LEU HB2 1.0 1.0 -2.0 6.5 ;+2.0 1 21 TYR HE* 1 20 LYS+ HD* 1.0 1.0 -2.0 7.5 ;+3.0 1 21 TYR HE* 1 17 LEU HD1* 1.0 1.0 -2.0 9.0 ;+3.5 1 21 TYR HE* 1 17 LEU HD2* 1.0 1.0 -2.0 7.5 ;+3.5 1 21 TYR HE* 1 28 VAL HG2* 1.0 1.0 -2.0 9.0 ;+3.5 1 21 TYR HE* 1 28 VAL HG1* 1.0 1.0 -2.0 8.0 ;+3.5 1 21 TYR HE* 1 20 LYS+ HG1 1.0 1.0 -2.0 6.5 ;+2.0.4 1 21 TYR HE* 1 32 HIS HE1 1.0 1.0 -2.0 6.5 ;+2.0.4 1 21 TYR HE* 1 32 HIS HD2 1.0 1.0 -2.0 6.5 ;+2.0.4 1 26 TRP HD1 1 25 ARG+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HD1 1 24 LYS+ HA 1.0 1.0 -2.0 4.5 1 26 TRP HD1 1 39 LYS+ HA 1.0 1.0 -2.0 6.5 1 26 TRP HD1 1 42 ARG+ HD* 1.0 1.0 -2.0 6.5 ;+1.0.0 1 26 TRP HD1 1 42 ARG+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HD1 1 42 ARG+ HB2 1.0 1.0 -2.0 5.5 1 26 TRP HD1 1 42 ARG+ HB1 1.0 1.0 -2.0 4.5 1 26 TRP HD1 1 42 ARG+ HG* 1.0 1.0 -2.0 6.5 ;+1.0.0 1 26 TRP HD1 1 38 GLY HA1 1.0 1.0 -2.0 6.5 1 26 TRP HD1 1 38 GLY HA2 1.0 1.0 -2.0 6.5 1 26 TRP HE3 1 41 CYS HA 1.0 1.0 -2.0 5.5 1 26 TRP HE3 1 38 GLY HA1 1.0 1.0 -2.0 7.5 ;+1.0.0 1 26 TRP HE3 1 41 CYS HB1 1.0 1.0 -2.0 4.5 1 26 TRP HE3 1 41 CYS HB2 1.0 1.0 -2.0 4.0 1 26 TRP HE3 1 29 ILE HB 1.0 1.0 -2.0 4.0 1 26 TRP HE3 1 42 ARG+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HE3 1 30 ALA HB* 1.0 1.0 -2.0 6.0 ;+1.5.5m 1 26 TRP HE3 1 29 ILE HG11 1.0 1.0 -2.0 5.5 1 26 TRP HE3 1 29 ILE HG12 1.0 1.0 -2.0 5.5 1 26 TRP HE3 1 14 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.0.0 1 26 TRP HE3 1 29 ILE HG2* 1.0 1.0 -2.0 5.5 ;+1.5.5m 1 26 TRP HE3 1 29 ILE HD1* 1.0 1.0 -2.0 5.5 ;+1.5.5m 1 26 TRP HE3 1 18 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 26 TRP HE3 1 18 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 26 TRP HZ3 1 41 CYS HA 1.0 1.0 -2.0 5.5 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 HB2 1.0 1.0 -2.0 4.5 1 26 TRP HZ3 1 45 TRP HB1 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 ARG+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HZ3 1 29 ILE HG11 1.0 1.0 -2.0 5.5 1 26 TRP HZ3 1 29 ILE HG2* 1.0 1.0 -2.0 5.5 ;+1.5.5m 1 26 TRP HZ3 1 29 ILE HD1* 1.0 1.0 -2.0 6.0 ;+1.5.5m 1 26 TRP HZ3 1 18 VAL HG2* 1.0 1.0 -2.0 5.5 ;+1.5.5m 1 26 TRP HZ3 1 18 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5.5m 1 26 TRP HZ3 1 42 ARG+ HB1 1.0 1.0 -2.0 6.5 1 26 TRP HH2 1 23 PRO HA 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 45 TRP HB1 1.0 1.0 -2.0 4.0 1 26 TRP HH2 1 41 CYS HB2 1.0 1.0 -2.0 6.5 1 26 TRP HH2 1 42 ARG+ HA 1.0 1.0 -2.0 4.5 1 26 TRP HH2 1 29 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5.5m 1 26 TRP HH2 1 29 ILE HG11 1.0 1.0 -2.0 6.5 1 26 TRP HH2 1 29 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5.5m 1 26 TRP HH2 1 18 VAL HG2* 1.0 1.0 -2.0 5.5 ;+1.5.5m 1 26 TRP HH2 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5.5m 1 26 TRP HH2 1 42 ARG+ HB1 1.0 1.0 -2.0 6.5 1 26 TRP HH2 1 45 TRP HD1 1.0 1.0 -2.0 5.5 1 26 TRP HZ2 1 45 TRP HD1 1.0 1.0 -2.0 4.5 1 26 TRP HZ2 1 24 LYS+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HZ2 1 23 PRO HA 1.0 1.0 -2.0 4.5 1 26 TRP HZ2 1 45 TRP HB2 1.0 1.0 -2.0 5.5 1 26 TRP HZ2 1 45 TRP HB1 1.0 1.0 -2.0 4.5 1 26 TRP HZ2 1 23 PRO HB* 1.0 1.0 -2.0 6.5 ;+1.0.0 1 26 TRP HZ2 1 23 PRO HG* 1.0 1.0 -2.0 7.5 ;+1.0.0 1 26 TRP HZ2 1 42 ARG+ HA 1.0 1.0 -2.0 5.5 1 26 TRP HZ2 1 42 ARG+ HG1 1.0 1.0 -2.0 6.5 1 26 TRP HZ2 1 42 ARG+ HG2 1.0 1.0 -2.0 6.5 1 26 TRP HZ2 1 49 LEU HD* 1.0 1.0 -2.0 10.9 ; 9.5m 1 26 TRP HZ2 1 46 HIS HE1 1.0 1.0 -2.0 5.5 1 32 HIS HE1 1 31 LYS+ HA 1.0 1.0 -2.0 6.5 1 32 HIS HE1 1 28 VAL HA 1.0 1.0 -2.0 5.5 1 32 HIS HE1 1 29 ILE HA 1.0 1.0 -2.0 6.5 1 32 HIS HE1 1 31 LYS+ HE* 1.0 1.0 -2.0 6.5 ;+1.0.0 1 32 HIS HE1 1 28 VAL HB 1.0 1.0 -2.0 6.5 1 32 HIS HE1 1 31 LYS+ HB1 1.0 1.0 -2.0 5.5 1 32 HIS HE1 1 31 LYS+ HB2 1.0 1.0 -2.0 5.5 1 32 HIS HE1 1 31 LYS+ HD* 1.0 1.0 -2.0 6.5 ;+1.0.0 1 32 HIS HE1 1 31 LYS+ HG* 1.0 1.0 -2.0 7.5 ;+1.0.0 1 32 HIS HE1 1 17 LEU HD1* 1.0 1.0 -2.0 8.0 ;+1.5.5m 1 32 HIS HE1 1 17 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5.5m 1 32 HIS HE1 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5.5m 1 32 HIS HE1 1 28 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5.5m 1 32 HIS HD2 1 17 LEU HA 1.0 1.0 -2.0 6.5 1 32 HIS HD2 1 28 VAL HA 1.0 1.0 -2.0 5.5 1 32 HIS HD2 1 29 ILE HA 1.0 1.0 -2.0 4.5 1 32 HIS HD2 1 17 LEU HB1 1.0 1.0 -2.0 6.5 1 32 HIS HD2 1 17 LEU HB2 1.0 1.0 -2.0 5.5 1 32 HIS HD2 1 17 LEU HG 1.0 1.0 -2.0 6.5 1 32 HIS HD2 1 31 LYS+ HB1 1.0 1.0 -2.0 5.5 1 32 HIS HD2 1 31 LYS+ HB2 1.0 1.0 -2.0 6.5 1 32 HIS HD2 1 29 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5.5m 1 32 HIS HD2 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HD2 1 17 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HD2 1 28 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5 1 45 TRP HD1 1 23 PRO HA 1.0 1.0 -2.0 6.5 1 45 TRP HD1 1 14 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 45 TRP HD1 1 49 LEU HD* 1.0 1.0 -2.0 9.4 ;3.9 1 45 TRP HD1 1 18 VAL HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 45 TRP HE3 1 15 ILE HA 1.0 1.0 -2.0 5.5 1 45 TRP HE3 1 15 ILE HB 1.0 1.0 -2.0 6.5 1 45 TRP HE3 1 49 LEU HG 1.0 1.0 -2.0 5.5 1 45 TRP HE3 1 15 ILE HG1* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HE3 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HE3 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HE3 1 29 ILE HD1* 1.0 1.0 -2.0 8.0 ;+1.5 1 45 TRP HE3 1 18 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 45 TRP HE3 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ3 1 15 ILE HA 1.0 1.0 -2.0 4.0 1 45 TRP HZ3 1 15 ILE HB 1.0 1.0 -2.0 5.5 1 45 TRP HZ3 1 49 LEU HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HZ3 1 49 LEU HG 1.0 1.0 -2.0 5.5 1 45 TRP HZ3 1 15 ILE HG1* 1.0 1.0 -2.0 5.0 ;+1.0 1 45 TRP HZ3 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ3 1 15 ILE HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 45 TRP HZ3 1 15 ILE HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ3 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ3 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ3 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ3 1 18 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 45 TRP HZ3 1 44 ARG+ HB2 1.0 1.0 -2.0 6.5 1 45 TRP HH2 1 15 ILE HA 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 49 LEU HB* 1.0 1.0 -2.0 5.5 ;+1.0 1 45 TRP HH2 1 49 LEU HG 1.0 1.0 -2.0 5.5 1 45 TRP HH2 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HH2 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HH2 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HH2 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HH2 1 51 PRO HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 45 TRP HH2 1 15 ILE HB 1.0 1.0 -2.0 6.5 1 45 TRP HH2 1 51 PRO HD* 1.0 1.0 -2.0 6.5 ;+1.0 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 23 PRO HD2 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HZ2 1 51 PRO HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 45 TRP HZ2 1 15 ILE HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 45 TRP HZ2 1 49 LEU HD* 1.0 1.0 -2.0 9.4 ;+3.9 1 45 TRP HZ2 1 50 ASN HB1 1.0 1.0 -2.0 6.5 1 45 TRP HZ2 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HZ2 1 18 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5 1 46 HIS HE1 1 45 TRP HD1 1.0 1.0 -2.0 5.5 1 46 HIS HE1 1 42 ARG+ HG* 1.0 1.0 -2.0 7.5 ;+1.0 1 46 HIS HD2 1 43 GLU- HA 1.0 1.0 -2.0 5.5 1 46 HIS HD2 1 42 ARG+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 46 HIS HD2 1 42 ARG+ HA 1.0 1.0 -2.0 4.5 1 46 HIS HD2 1 42 ARG+ HB2 1.0 1.0 -2.0 5.5 1 46 HIS HD2 1 42 ARG+ HB1 1.0 1.0 -2.0 5.5 1 46 HIS HD2 1 42 ARG+ HG1 1.0 1.0 -2.0 4.5 1 46 HIS HD2 1 42 ARG+ HG2 1.0 1.0 -2.0 4.5 1 48 HIS HE1 1 47 ASN HB1 1.0 1.0 -2.0 6.5 1 48 HIS HE1 1 47 ASN HB2 1.0 1.0 -2.0 5.5 1 48 HIS HD2 1 44 ARG+ HA 1.0 1.0 -2.0 4.0 1 48 HIS HD2 1 47 ASN HB1 1.0 1.0 -2.0 4.5 1 48 HIS HD2 1 47 ASN HB2 1.0 1.0 -2.0 4.5 1 48 HIS HD2 1 49 LEU HB* 1.0 1.0 -2.0 7.5 ;+1.0 1 48 HIS HD2 1 49 LEU HG 1.0 1.0 -2.0 5.5 1 48 HIS HD2 1 49 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 48 HIS HD2 1 49 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 48 HIS HD2 1 44 ARG+ HD1 1.0 1.0 -2.0 5.5 ;# 1 4 GLY HA1 1 5 PRO HD1 1.0 1.0 -2.0 4.0 1 4 GLY HA1 1 5 PRO HD2 1.0 1.0 -2.0 4.0 1 4 GLY HA2 1 5 PRO HD1 1.0 1.0 -2.0 4.0 1 4 GLY HA2 1 5 PRO HD2 1.0 1.0 -2.0 4.0 1 22 GLY HA1 1 23 PRO HD1 1.0 1.0 -2.0 3.0 1 22 GLY HA1 1 23 PRO HD2 1.0 1.0 -2.0 4.0 1 22 GLY HA2 1 23 PRO HD1 1.0 1.0 -2.0 4.0 1 22 GLY HA2 1 23 PRO HD2 1.0 1.0 -2.0 4.0 1 23 PRO HD1 1 24 LYS+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 23 PRO HD2 1 24 LYS+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 23 PRO HD1 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 23 PRO HD1 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 23 PRO HD2 1 18 VAL HG2* 1.0 1.0 -2.0 8.0 ;+1.5 1 23 PRO HD2 1 18 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 21 TYR HA 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 21 TYR HA 1 20 LYS+ HG1 1.0 1.0 -2.0 5.5 1 32 HIS HA 1 17 LEU HD1* 1.0 1.0 -2.0 7.0 ;+1.5 1 32 HIS HA 1 17 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 11 ASP- HA 1 49 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 11 ASP- HA 1 49 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 11 ASP- HA 1 14 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 11 ASP- HA 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 11 ASP- HA 1 12 GLN HA 1.0 1.0 -2.0 5.0 1 11 ASP- HA 1 8 LYS+ HA 1.0 1.0 -2.0 6.0 1 25 ARG+ HA 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 26 TRP HA 1 29 ILE HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 26 TRP HA 1 29 ILE HG12 1.0 1.0 -2.0 4.5 1 26 TRP HA 1 29 ILE HG11 1.0 1.0 -2.0 5.5 1 26 TRP HA 1 29 ILE HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 44 ARG+ HA 1 48 HIS HB* 1.0 1.0 -2.0 6.5 ;+1.0 1 22 GLY HA1 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 22 GLY HA2 1 18 VAL HG1* 1.0 1.0 -2.0 8.0 ;+1.5 1 15 ILE HA 1 18 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 15 ILE HA 1 18 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 14 VAL HA 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 18 VAL HA 1 29 ILE HD1* 1.0 1.0 -2.0 5.5 ;+1.5 1 21 TYR HB2 1 29 ILE HD1* 1.0 1.0 -2.0 6.0 ;1.55 1 45 TRP HB1 1 18 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HB2 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 45 TRP HB1 1 14 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5 1 14 VAL HA 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 14 VAL HA 1 17 LEU HD2* 1.0 1.0 -2.0 7.0 ;+1.5 1 29 ILE HA 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 29 ILE HA 1 17 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HB2 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HB2 1 17 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HB1 1 17 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 32 HIS HB1 1 17 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 25 ARG+ HD* 1 28 VAL HG2* 1.0 1.0 -2.0 7.0 ;+2.5 1 12 GLN HA 1 15 ILE HD1* 1.0 1.0 -2.0 5.5 ;+1.5 1 10 GLU- HA 1 33 LEU HD1* 1.0 1.0 -2.0 5.5 ;+1.5 1 10 GLU- HA 1 33 LEU HD2* 1.0 1.0 -2.0 5.5 ;+1.5 1 4 GLY HA* 1 2 ILE HG2* 1.0 1.0 -2.0 7.0 ;+2.5 1 15 ILE HA 1 14 VAL HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 15 ILE HA 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 28 VAL HA 1 31 LYS+ HD* 1.0 1.0 -2.0 5.5 ;+1.0 1 28 VAL HA 1 31 LYS+ HG* 1.0 1.0 -2.0 6.5 ;+1.0 1 41 CYS HA 1 14 VAL HG2* 1.0 1.0 -2.0 6.0 ;+1.5 1 41 CYS HA 1 14 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 40 GLN HA 1 37 ILE HG1* 1.0 1.0 -2.0 7.5 1 6 TRP HA 1 7 THR HG2* 1.0 1.0 -2.0 7.0 ;+1.5 1 13 ARG+ HA 1 12 GLN HG* 1.0 1.0 -2.0 5.5 ;+1.0 1 11 ASP- HB1 1 49 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 11 ASP- HB1 1 49 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 11 ASP- HB2 1 49 LEU HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 11 ASP- HB2 1 49 LEU HD2* 1.0 1.0 -2.0 6.0 ;+1.5 1 41 CYS HB2 1 14 VAL HG1* 1.0 1.0 -2.0 6.0 ;+1.5 1 21 TYR HB1 1 29 ILE HD1* 1.0 1.0 -2.0 6.0 ;+1.5 1 13 ARG+ HD* 1 33 LEU HD1* 1.0 1.0 -2.0 8.0 ;+2.5 1 13 ARG+ HD* 1 33 LEU HD2* 1.0 1.0 -2.0 8.0 ;+2.5 1 13 ARG+ HG* 1 33 LEU HD1* 1.0 1.0 -2.0 7.0 ;+2.5 1 13 ARG+ HG* 1 33 LEU HD2* 1.0 1.0 -2.0 7.0 ;+2.5 1 25 ARG+ HB1 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 25 ARG+ HB2 1 28 VAL HG1* 1.0 1.0 -2.0 7.0 ;+1.5 1 37 ILE HA 1 30 ALA HB* 1.0 1.0 -2.0 6.0 ;+1.5 1 37 ILE HA 1 30 ALA HA 1.0 1.0 -2.0 5.0 ; INTRA RESIDUE 1 6 TRP HN 1 6 TRP HD1 1.0 1.0 -2.0 4.0 1 21 TYR HN 1 21 TYR HD* 1.0 1.0 -2.0 6.0 ;+2.0.4 1 36 ARG+ HA 1 36 ARG+ HD2 1.0 1.0 -2.0 4.0 ;$ 1 36 ARG+ HA 1 36 ARG+ HD1 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 4.5 ;# 1 20 LYS+ HA 1 20 LYS+ HG1 1.0 1.0 -2.0 4.5 1 20 LYS+ HA 1 20 LYS+ HG2 1.0 1.0 -2.0 4.0
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