NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10451 |
1prv   |
cing | 1-original | 2 | EMBOSS | distance | NOE | simple |
; 28 AUG.'94
; HA(I)-HN(I+1)
1 3 THR HA 1 4 ILE HN 1.0 1.0 -2.0 5.0
1 4 ILE HA 1 5 LYS+ HN 1.0 1.0 -2.0 5.0
1 5 LYS+ HA 1 6 ASP- HN 1.0 1.0 -2.0 4.0
1 6 ASP- HA 1 7 VAL HN 1.0 1.0 -2.0 5.0
1 7 VAL HA 1 8 ALA HN 1.0 1.0 -2.0 4.0
1 8 ALA HA 1 9 LYS+ HN 1.0 1.0 -2.0 4.0
1 9 LYS+ HA 1 10 ARG+ HN 1.0 1.0 -2.0 4.0
1 10 ARG+ HA 1 11 ALA HN 1.0 1.0 -2.0 4.0
1 11 ALA HA 1 12 ASN HN 1.0 1.0 -2.0 4.0
1 12 ASN HA 1 13 VAL HN 1.0 1.0 -2.0 4.0 ;O.L
1 14 SER HA 1 15 THR HN 1.0 1.0 -2.0 5.0
1 15 THR HA 1 16 THR HN 1.0 1.0 -2.0 5.0
1 16 THR HA 1 17 THR HN 1.0 1.0 -2.0 4.0
1 17 THR HA 1 18 VAL HN 1.0 1.0 -2.0 4.0
1 18 VAL HA 1 19 SER HN 1.0 1.0 -2.0 4.0
1 19 SER HA 1 20 HIS HN 1.0 1.0 -2.0 4.0
1 21 VAL HA 1 22 ILE HN 1.0 1.0 -2.0 4.0
1 22 ILE HA 1 23 ASN HN 1.0 1.0 -2.0 4.0
1 24 LYS+ HA 1 25 THR HN 1.0 1.0 -2.0 4.0
1 25 THR HA 1 26 ARG+ HN 1.0 1.0 -2.0 4.0
1 26 ARG+ HA 1 27 PHE HN 1.0 1.0 -2.0 3.0
1 27 PHE HA 1 28 VAL HN 1.0 1.0 -2.0 3.0
1 28 VAL HA 1 29 ALA HN 1.0 1.0 -2.0 3.0
1 29 ALA HA 1 30 GLU- HN 1.0 1.0 -2.0 3.0
1 30 GLU- HA 1 31 GLU- HN 1.0 1.0 -2.0 4.0
1 31 GLU- HA 1 32 THR HN 1.0 1.0 -2.0 4.0
1 32 THR HA 1 33 ARG+ HN 1.0 1.0 -2.0 4.0
1 33 ARG+ HA 1 34 ASN HN 1.0 1.0 -2.0 4.0
1 34 ASN HA 1 35 ALA HN 1.0 1.0 -2.0 5.0
1 35 ALA HA 1 36 VAL HN 1.0 1.0 -2.0 4.0
1 36 VAL HA 1 37 TRP HN 1.0 1.0 -2.0 5.0 ;O.L
1 37 TRP HA 1 38 ALA HN 1.0 1.0 -2.0 4.0
1 38 ALA HA 1 39 ALA HN 1.0 1.0 -2.0 4.0
1 39 ALA HA 1 40 ILE HN 1.0 1.0 -2.0 4.0
1 40 ILE HA 1 41 LYS+ HN 1.0 1.0 -2.0 4.0
1 41 LYS+ HA 1 42 GLU- HN 1.0 1.0 -2.0 4.0
1 42 GLU- HA 1 43 LEU HN 1.0 1.0 -2.0 5.0
1 43 LEU HA 1 44 HIS HN 1.0 1.0 -2.0 5.0 ;O.L
1 44 HIS HA 1 45 TYR HN 1.0 1.0 -2.0 3.0
1 45 TYR HA 1 46 SER HN 1.0 1.0 -2.0 3.0
; HN(I)-HN(I+1)
1 4 ILE HN 1 5 LYS+ HN 1.0 1.0 -2.0 3.0
1 6 ASP- HN 1 7 VAL HN 1.0 1.0 -2.0 4.0
1 7 VAL HN 1 8 ALA HN 1.0 1.0 -2.0 3.0
1 8 ALA HN 1 9 LYS+ HN 1.0 1.0 -2.0 4.0
1 9 LYS+ HN 1 10 ARG+ HN 1.0 1.0 -2.0 4.0
1 10 ARG+ HN 1 11 ALA HN 1.0 1.0 -2.0 3.0
1 11 ALA HN 1 12 ASN HN 1.0 1.0 -2.0 5.0
1 12 ASN HN 1 13 VAL HN 1.0 1.0 -2.0 4.0
1 16 THR HN 1 17 THR HN 1.0 1.0 -2.0 3.0
1 17 THR HN 1 18 VAL HN 1.0 1.0 -2.0 4.0
1 18 VAL HN 1 19 SER HN 1.0 1.0 -2.0 4.0
1 19 SER HN 1 20 HIS HN 1.0 1.0 -2.0 3.0
1 20 HIS HN 1 21 VAL HN 1.0 1.0 -2.0 5.0
1 22 ILE HN 1 23 ASN HN 1.0 1.0 -2.0 3.0
1 23 ASN HN 1 24 LYS+ HN 1.0 1.0 -2.0 3.0
1 25 THR HN 1 26 ARG+ HN 1.0 1.0 -2.0 3.0
1 26 ARG+ HN 1 27 PHE HN 1.0 1.0 -2.0 5.0
1 27 PHE HN 1 28 VAL HN 1.0 1.0 -2.0 5.0
1 28 VAL HN 1 29 ALA HN 1.0 1.0 -2.0 5.0
1 29 ALA HN 1 30 GLU- HN 1.0 1.0 -2.0 5.0 ;mod
1 30 GLU- HN 1 31 GLU- HN 1.0 1.0 -2.0 4.0
1 31 GLU- HN 1 32 THR HN 1.0 1.0 -2.0 3.0
1 32 THR HN 1 33 ARG+ HN 1.0 1.0 -2.0 3.0
1 33 ARG+ HN 1 34 ASN HN 1.0 1.0 -2.0 5.0
1 34 ASN HN 1 35 ALA HN 1.0 1.0 -2.0 3.0
1 35 ALA HN 1 36 VAL HN 1.0 1.0 -2.0 3.0
1 36 VAL HN 1 37 TRP HN 1.0 1.0 -2.0 3.0
1 37 TRP HN 1 38 ALA HN 1.0 1.0 -2.0 3.0
1 38 ALA HN 1 39 ALA HN 1.0 1.0 -2.0 3.0
1 39 ALA HN 1 40 ILE HN 1.0 1.0 -2.0 3.0
1 40 ILE HN 1 41 LYS+ HN 1.0 1.0 -2.0 3.0
1 41 LYS+ HN 1 42 GLU- HN 1.0 1.0 -2.0 3.0
1 42 GLU- HN 1 43 LEU HN 1.0 1.0 -2.0 3.0
1 43 LEU HN 1 44 HIS HN 1.0 1.0 -2.0 4.0
1 44 HIS HN 1 45 TYR HN 1.0 1.0 -2.0 4.0
1 45 TYR HN 1 46 SER HN 1.0 1.0 -2.0 5.0
1 50 VAL HN 1 51 ALA HN 1.0 1.0 -2.0 5.0
1 51 ALA HN 1 52 ARG+ HN 1.0 1.0 -2.0 4.0
1 52 ARG+ HN 1 53 SER HN 1.0 1.0 -2.0 4.0
; HB(I)-HN(I+1)
1 3 THR HB 1 4 ILE HN 1.0 1.0 -2.0 4.0 ;mod
1 4 ILE HB 1 5 LYS+ HN 1.0 1.0 -2.0 4.0
1 5 LYS+ HB1 1 6 ASP- HN 1.0 1.0 -2.0 5.0
1 5 LYS+ HB2 1 6 ASP- HN 1.0 1.0 -2.0 3.0
1 6 ASP- HB1 1 7 VAL HN 1.0 1.0 -2.0 3.0
1 6 ASP- HB2 1 7 VAL HN 1.0 1.0 -2.0 5.0 ;mod
1 7 VAL HB 1 8 ALA HN 1.0 1.0 -2.0 3.0
1 8 ALA HB* 1 9 LYS+ HN 1.0 1.0 -2.0 6.5 ;+1.5
1 9 LYS+ HB1 1 10 ARG+ HN 1.0 1.0 -2.0 4.0
1 10 ARG+ HB2 1 11 ALA HN 1.0 1.0 -2.0 3.0
1 11 ALA HB* 1 12 ASN HN 1.0 1.0 -2.0 6.5 ;+1.5
1 12 ASN HB1 1 13 VAL HN 1.0 1.0 -2.0 5.0
1 12 ASN HB2 1 13 VAL HN 1.0 1.0 -2.0 5.0
1 13 VAL HB 1 14 SER HN 1.0 1.0 -2.0 4.0 ;mod
1 14 SER HB1 1 15 THR HN 1.0 1.0 -2.0 5.0
1 14 SER HB2 1 15 THR HN 1.0 1.0 -2.0 4.0
1 15 THR HB 1 16 THR HN 1.0 1.0 -2.0 4.0
1 16 THR HB 1 17 THR HN 1.0 1.0 -2.0 4.0
1 17 THR HB 1 18 VAL HN 1.0 1.0 -2.0 5.0
1 18 VAL HB 1 19 SER HN 1.0 1.0 -2.0 3.0
1 19 SER HB* 1 20 HIS HN 1.0 1.0 -2.0 4.0 ;+1.0
1 20 HIS HB2 1 21 VAL HN 1.0 1.0 -2.0 5.0
1 20 HIS HB1 1 21 VAL HN 1.0 1.0 -2.0 3.0
1 21 VAL HB 1 22 ILE HN 1.0 1.0 -2.0 3.0
1 22 ILE HB 1 23 ASN HN 1.0 1.0 -2.0 3.0
1 23 ASN HB* 1 24 LYS+ HN 1.0 1.0 -2.0 5.0 ;+1.0
1 25 THR HB 1 26 ARG+ HN 1.0 1.0 -2.0 4.0
1 26 ARG+ HB* 1 27 PHE HN 1.0 1.0 -2.0 5.0 ;+1.0
1 27 PHE HB1 1 28 VAL HN 1.0 1.0 -2.0 5.0
1 27 PHE HB2 1 28 VAL HN 1.0 1.0 -2.0 5.0 ;mod
1 28 VAL HB 1 29 ALA HN 1.0 1.0 -2.0 5.0 ;mod
1 29 ALA HB* 1 30 GLU- HN 1.0 1.0 -2.0 4.5 ;+1.5
1 30 GLU- HB* 1 31 GLU- HN 1.0 1.0 -2.0 6.0 ;+1.0
1 30 GLU- HB1 1 31 GLU- HN 1.0 1.0 -2.0 3.0
1 30 GLU- HB2 1 31 GLU- HN 1.0 1.0 -2.0 5.0 ;mod
1 31 GLU- HB* 1 32 THR HN 1.0 1.0 -2.0 4.0 ;+1.0
1 32 THR HB 1 33 ARG+ HN 1.0 1.0 -2.0 4.0
1 33 ARG+ HB1 1 34 ASN HN 1.0 1.0 -2.0 4.0 ;mod
1 33 ARG+ HB2 1 34 ASN HN 1.0 1.0 -2.0 4.0 ;mod
1 34 ASN HB* 1 35 ALA HN 1.0 1.0 -2.0 4.0 ;+1.0
1 35 ALA HB* 1 36 VAL HN 1.0 1.0 -2.0 4.5 ;+1.5
1 36 VAL HB 1 37 TRP HN 1.0 1.0 -2.0 3.0
1 37 TRP HB2 1 38 ALA HN 1.0 1.0 -2.0 5.0 ;mod
1 37 TRP HB1 1 38 ALA HN 1.0 1.0 -2.0 3.0
1 38 ALA HB* 1 39 ALA HN 1.0 1.0 -2.0 5.5 ;+1.5
1 39 ALA HB* 1 40 ILE HN 1.0 1.0 -2.0 4.5 ;+1.5
1 40 ILE HB 1 41 LYS+ HN 1.0 1.0 -2.0 3.0
1 41 LYS+ HB* 1 42 GLU- HN 1.0 1.0 -2.0 5.0 ;+1.0 mod
1 42 GLU- HB1 1 43 LEU HN 1.0 1.0 -2.0 5.0
1 42 GLU- HB2 1 43 LEU HN 1.0 1.0 -2.0 4.0
1 43 LEU HB2 1 44 HIS HN 1.0 1.0 -2.0 5.0
1 43 LEU HB1 1 44 HIS HN 1.0 1.0 -2.0 4.0
1 44 HIS HB2 1 45 TYR HN 1.0 1.0 -2.0 5.0
1 44 HIS HB1 1 45 TYR HN 1.0 1.0 -2.0 4.0 ;mod
1 45 TYR HB1 1 46 SER HN 1.0 1.0 -2.0 5.0
1 45 TYR HB2 1 46 SER HN 1.0 1.0 -2.0 5.0
; HA(I)-HN(I+2)
1 4 ILE HA 1 6 ASP- HN 1.0 1.0 -2.0 5.0
1 5 LYS+ HA 1 7 VAL HN 1.0 1.0 -2.0 5.0
1 7 VAL HA 1 9 LYS+ HN 1.0 1.0 -2.0 5.0
1 6 ASP- HA 1 8 ALA HN 1.0 1.0 -2.0 5.0
1 9 LYS+ HA 1 11 ALA HN 1.0 1.0 -2.0 5.0
1 15 THR HA 1 17 THR HN 1.0 1.0 -2.0 5.0
1 16 THR HA 1 18 VAL HN 1.0 1.0 -2.0 5.0
1 19 SER HA 1 21 VAL HN 1.0 1.0 -2.0 5.0
1 22 ILE HA 1 24 LYS+ HN 1.0 1.0 -2.0 5.0
1 29 ALA HA 1 31 GLU- HN 1.0 1.0 -2.0 5.0
1 30 GLU- HA 1 32 THR HN 1.0 1.0 -2.0 5.0
1 32 THR HA 1 34 ASN HN 1.0 1.0 -2.0 5.0
1 33 ARG+ HA 1 35 ALA HN 1.0 1.0 -2.0 5.0
1 35 ALA HA 1 37 TRP HN 1.0 1.0 -2.0 5.0
1 38 ALA HA 1 40 ILE HN 1.0 1.0 -2.0 5.0
1 39 ALA HA 1 41 LYS+ HN 1.0 1.0 -2.0 5.0
1 40 ILE HA 1 42 GLU- HN 1.0 1.0 -2.0 5.0
; HN(I)-HN(I+2)
1 4 ILE HN 1 6 ASP- HN 1.0 1.0 -2.0 5.0
1 7 VAL HN 1 9 LYS+ HN 1.0 1.0 -2.0 5.0
1 10 ARG+ HN 1 12 ASN HN 1.0 1.0 -2.0 5.0
1 18 VAL HN 1 20 HIS HN 1.0 1.0 -2.0 5.0
1 19 SER HN 1 21 VAL HN 1.0 1.0 -2.0 5.0
1 21 VAL HN 1 23 ASN HN 1.0 1.0 -2.0 5.0
1 23 ASN HN 1 25 THR HN 1.0 1.0 -2.0 5.0
1 30 GLU- HN 1 32 THR HN 1.0 1.0 -2.0 5.0
1 31 GLU- HN 1 33 ARG+ HN 1.0 1.0 -2.0 5.0
1 32 THR HN 1 34 ASN HN 1.0 1.0 -2.0 5.0
1 33 ARG+ HN 1 35 ALA HN 1.0 1.0 -2.0 5.0
1 42 GLU- HN 1 44 HIS HN 1.0 1.0 -2.0 5.0
; HA(I)-HN(I+3)
1 4 ILE HA 1 7 VAL HN 1.0 1.0 -2.0 5.0
1 6 ASP- HA 1 9 LYS+ HN 1.0 1.0 -2.0 4.0
1 7 VAL HA 1 10 ARG+ HN 1.0 1.0 -2.0 5.0
1 8 ALA HA 1 11 ALA HN 1.0 1.0 -2.0 4.0
1 9 LYS+ HA 1 12 ASN HN 1.0 1.0 -2.0 5.0
1 15 THR HA 1 18 VAL HN 1.0 1.0 -2.0 4.0
1 16 THR HA 1 19 SER HN 1.0 1.0 -2.0 4.0
1 17 THR HA 1 20 HIS HN 1.0 1.0 -2.0 4.0
1 18 VAL HA 1 21 VAL HN 1.0 1.0 -2.0 4.0 ;mod
1 19 SER HA 1 22 ILE HN 1.0 1.0 -2.0 4.0
1 21 VAL HA 1 24 LYS+ HN 1.0 1.0 -2.0 4.0
1 30 GLU- HA 1 33 ARG+ HN 1.0 1.0 -2.0 4.0
1 31 GLU- HA 1 34 ASN HN 1.0 1.0 -2.0 4.0
1 32 THR HA 1 35 ALA HN 1.0 1.0 -2.0 4.0
1 33 ARG+ HA 1 36 VAL HN 1.0 1.0 -2.0 4.0
1 36 VAL HA 1 39 ALA HN 1.0 1.0 -2.0 4.0
1 37 TRP HA 1 40 ILE HN 1.0 1.0 -2.0 4.0
1 38 ALA HA 1 41 LYS+ HN 1.0 1.0 -2.0 4.0
1 39 ALA HA 1 42 GLU- HN 1.0 1.0 -2.0 4.0
1 40 ILE HA 1 43 LEU HN 1.0 1.0 -2.0 5.0
1 41 LYS+ HA 1 44 HIS HN 1.0 1.0 -2.0 5.0
; HN(I)-HN(I+3)
1 3 THR HN 1 6 ASP- HN 1.0 1.0 -2.0 4.0
1 14 SER HN 1 17 THR HN 1.0 1.0 -2.0 4.0
1 31 GLU- HN 1 34 ASN HN 1.0 1.0 -2.0 5.0
; HA(I)-HB(I+3)
1 4 ILE HA 1 7 VAL HB 1.0 1.0 -2.0 5.0 ;S3 mod
1 5 LYS+ HA 1 8 ALA HB* 1.0 1.0 -2.0 5.5 ;+1.5
1 6 ASP- HA 1 9 LYS+ HB* 1.0 1.0 -2.0 5.0 ;1.0
1 7 VAL HA 1 10 ARG+ HB* 1.0 1.0 -2.0 5.0 ;1.0
1 8 ALA HA 1 11 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5
1 9 LYS+ HA 1 12 ASN HB* 1.0 1.0 -2.0 6.0 ;1.0
1 15 THR HA 1 18 VAL HB 1.0 1.0 -2.0 5.0
1 16 THR HA 1 19 SER HB* 1.0 1.0 -2.0 6.0 ;+1.0
1 17 THR HA 1 20 HIS HB* 1.0 1.0 -2.0 6.0 ;1.0
1 18 VAL HA 1 21 VAL HB 1.0 1.0 -2.0 4.0
1 19 SER HA 1 22 ILE HB 1.0 1.0 -2.0 4.0
1 30 GLU- HA 1 33 ARG+ HB* 1.0 1.0 -2.0 5.0 ;1.0
1 31 GLU- HA 1 34 ASN HB* 1.0 1.0 -2.0 5.0 ;1.0
1 32 THR HA 1 35 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5
1 33 ARG+ HA 1 36 VAL HB 1.0 1.0 -2.0 4.0
1 34 ASN HA 1 37 TRP HB* 1.0 1.0 -2.0 6.0 ;1.0
1 35 ALA HA 1 38 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5
1 36 VAL HA 1 39 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HA 1 40 ILE HB 1.0 1.0 -2.0 4.0 ;m
1 38 ALA HA 1 41 LYS+ HB* 1.0 1.0 -2.0 6.0 ;1.0 mod
1 39 ALA HA 1 42 GLU- HB* 1.0 1.0 -2.0 5.0 ;1.0
1 40 ILE HA 1 43 LEU HB* 1.0 1.0 -2.0 6.0 ;1.0
; HA(I)-HN(I+4)
1 4 ILE HA 1 8 ALA HN 1.0 1.0 -2.0 5.0 ; mod
1 5 LYS+ HA 1 9 LYS+ HN 1.0 1.0 -2.0 5.0
1 6 ASP- HA 1 10 ARG+ HN 1.0 1.0 -2.0 5.0
1 7 VAL HA 1 11 ALA HN 1.0 1.0 -2.0 5.0
1 8 ALA HA 1 12 ASN HN 1.0 1.0 -2.0 5.0
1 9 LYS+ HA 1 13 VAL HN 1.0 1.0 -2.0 5.0
1 15 THR HA 1 19 SER HN 1.0 1.0 -2.0 5.0
1 16 THR HA 1 20 HIS HN 1.0 1.0 -2.0 5.0
1 17 THR HA 1 21 VAL HN 1.0 1.0 -2.0 5.0
1 18 VAL HA 1 22 ILE HN 1.0 1.0 -2.0 5.0
1 19 SER HA 1 23 ASN HN 1.0 1.0 -2.0 5.0 ; mod
1 21 VAL HA 1 25 THR HN 1.0 1.0 -2.0 5.0
1 30 GLU- HA 1 34 ASN HN 1.0 1.0 -2.0 5.0 ; mod
1 31 GLU- HA 1 35 ALA HN 1.0 1.0 -2.0 5.0
1 32 THR HA 1 36 VAL HN 1.0 1.0 -2.0 5.0
1 33 ARG+ HA 1 37 TRP HN 1.0 1.0 -2.0 5.0
1 34 ASN HA 1 38 ALA HN 1.0 1.0 -2.0 5.0
1 35 ALA HA 1 39 ALA HN 1.0 1.0 -2.0 5.0
1 36 VAL HA 1 40 ILE HN 1.0 1.0 -2.0 5.0
1 37 TRP HA 1 41 LYS+ HN 1.0 1.0 -2.0 5.0
1 38 ALA HA 1 42 GLU- HN 1.0 1.0 -2.0 5.0
1 39 ALA HA 1 43 LEU HN 1.0 1.0 -2.0 5.0 ; mod
1 41 LYS+ HA 1 45 TYR HN 1.0 1.0 -2.0 5.0
;OTHERS
1 3 THR HN 1 45 TYR HA 1.0 1.0 -2.0 5.0 ; mod
1 3 THR HB 1 45 TYR HD* 1.0 1.0 -2.0 7.0 ;+2.0 ;S1
1 3 THR HB 1 45 TYR HE* 1.0 1.0 -2.0 7.0 ;+2.0 ;S1
1 29 ALA HN 1 27 PHE HE* 1.0 1.0 -2.0 7.0 ;+2.0
1 29 ALA HN 1 27 PHE HD* 1.0 1.0 -2.0 7.0 ;+2.0
1 28 VAL HA 1 27 PHE HD* 1.0 1.0 -2.0 6.0 ;2.0
1 14 SER HN 1 12 ASN HD2* 1.0 1.0 -2.0 7.0 ;+2.0
1 36 VAL HN 1 37 TRP HD1 1.0 1.0 -2.0 6.0 ;mod
1 24 LYS+ HN 1 23 ASN HD2* 1.0 1.0 -2.0 7.0 ;+2.0
1 19 SER HN 1 20 HIS HD2 1.0 1.0 -2.0 5.0
1 21 VAL HN 1 20 HIS HD2 1.0 1.0 -2.0 5.0
1 46 SER HN 1 45 TYR HE* 1.0 1.0 -2.0 7.0 ;+2.0
1 46 SER HN 1 45 TYR HD* 1.0 1.0 -2.0 6.0 ;+2.0
1 47 PRO HB* 1 48 SER HA 1.0 1.0 -2.0 6.0 ;+1.0
1 3 THR HB 1 4 ILE HB 1.0 1.0 -2.0 5.0
1 3 THR HG2* 1 4 ILE HN 1.0 1.0 -2.0 5.5 ;+1.5
1 19 SER HA 1 23 ASN HD2* 1.0 1.0 -2.0 7.0 ;+2.0
1 19 SER HB* 1 23 ASN HD2* 1.0 1.0 -2.0 6.0 ;+2.0
1 21 VAL HA 1 23 ASN HN 1.0 1.0 -2.0 5.0
1 15 THR HA 1 8 ALA HN 1.0 1.0 -2.0 6.0 ;mod
1 16 THR HA 1 20 HIS HD2 1.0 1.0 -2.0 5.0
1 14 SER HB* 1 16 THR HN 1.0 1.0 -2.0 5.0 ;+1.0
1 24 LYS+ HA 1 23 ASN HN 1.0 1.0 -2.0 5.0
1 29 ALA HA 1 27 PHE HD* 1.0 1.0 -2.0 7.0 ;2.0
1 29 ALA HA 1 27 PHE HE* 1.0 1.0 -2.0 6.0 ;2.0
1 5 LYS+ HB* 1 4 ILE HN 1.0 1.0 -2.0 6.0 ;+1.0
1 29 ALA HB* 1 31 GLU- HN 1.0 1.0 -2.0 4.5 ;+1.5
1 37 TRP HH2 1 22 ILE HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 37 TRP HH2 1 40 ILE HG2* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 37 TRP HZ2 1 22 ILE HA 1.0 1.0 -2.0 4.0
1 37 TRP HZ2 1 21 VAL HG1* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HZ2 1 22 ILE HG2* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HE3 1 40 ILE HD1* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HE3 1 40 ILE HG1* 1.0 1.0 -2.0 6.0 ;1.0
1 37 TRP HE3 1 40 ILE HG2* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HE3 1 40 ILE HB 1.0 1.0 -2.0 4.0
1 37 TRP HD1 1 21 VAL HG1* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HD1 1 33 ARG+ HB* 1.0 1.0 -2.0 6.0 ;1.0
1 37 TRP HD1 1 33 ARG+ HG* 1.0 1.0 -2.0 6.0 ;1.0
1 37 TRP HD1 1 36 VAL HB 1.0 1.0 -2.0 6.0 ;mod
1 37 TRP HD1 1 34 ASN HB* 1.0 1.0 -2.0 7.0 ;1.0 mod
1 37 TRP HD1 1 33 ARG+ HA 1.0 1.0 -2.0 5.0
1 37 TRP HD1 1 34 ASN HA 1.0 1.0 -2.0 5.0
1 37 TRP HZ3 1 40 ILE HD1* 1.0 1.0 -2.0 5.5 ;1.5
1 37 TRP HZ3 1 40 ILE HG1* 1.0 1.0 -2.0 6.0 ;1.0,mod
1 45 TYR HE* 1 40 ILE HD1* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HE* 1 7 VAL HG1* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HE* 1 4 ILE HD1* 1.0 1.0 -2.0 7.5 ;2.0,1.5
1 45 TYR HE* 1 4 ILE HG2* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HE* 1 4 ILE HG1* 1.0 1.0 -2.0 8.0 ;2.0,1.0
1 45 TYR HE* 1 3 THR HG2* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HE* 1 5 LYS+ HG* 1.0 1.0 -2.0 8.0 ;2.0,1.0
1 45 TYR HE* 1 40 ILE HG1* 1.0 1.0 -2.0 8.0 ;2.0,1.0
1 45 TYR HE* 1 4 ILE HA 1.0 1.0 -2.0 7.0 ;2.0
1 45 TYR HE* 1 47 PRO HA 1.0 1.0 -2.0 8.0 ;2.0 ;key
1 45 TYR HD* 1 40 ILE HD1* 1.0 1.0 -2.0 7.5 ;2.0,1.5
1 45 TYR HD* 1 7 VAL HG2* 1.0 1.0 -2.0 7.5 ;2.0,1.5
1 45 TYR HD* 1 7 VAL HG1* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HD* 1 4 ILE HD1* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HD* 1 4 ILE HG2* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 45 TYR HD* 1 4 ILE HG1* 1.0 1.0 -2.0 8.0 ;2.0,1.0
1 45 TYR HD* 1 4 ILE HG1* 1.0 1.0 -2.0 7.0 ;2.0,1.0
1 45 TYR HD* 1 5 LYS+ HG* 1.0 1.0 -2.0 8.0 ;2.0,1.0
1 45 TYR HD* 1 40 ILE HG1* 1.0 1.0 -2.0 7.0 ;2.0,1.0
1 45 TYR HD* 1 4 ILE HA 1.0 1.0 -2.0 7.0 ;2.0
1 45 TYR HD* 1 40 ILE HA 1.0 1.0 -2.0 7.0 ;2.0
1 45 TYR HD* 1 47 PRO HA 1.0 1.0 -2.0 7.0 ;2.0 ;key
1 20 HIS HD2 1 28 VAL HG* 1.0 1.0 -2.0 8.9 ;3.9
1 20 HIS HD2 1 16 THR HG2* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 20 HIS HD2 1 26 ARG+ HB* 1.0 1.0 -2.0 7.0 ;2.0 mod
1 20 HIS HD2 1 17 THR HA 1.0 1.0 -2.0 5.0 ; mod
1 20 HIS HD2 1 16 THR HB 1.0 1.0 -2.0 6.0 ; mod
1 20 HIS HD2 1 16 THR HA 1.0 1.0 -2.0 5.0
1 20 HIS HD2 1 25 THR HB 1.0 1.0 -2.0 6.0 ;mod
1 23 ASN HD2* 1 22 ILE HG2* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 23 ASN HD2* 1 25 THR HG2* 1.0 1.0 -2.0 8.5 ;2.0,1.5
1 23 ASN HD2* 1 22 ILE HB 1.0 1.0 -2.0 7.0 ;2.0
1 31 GLU- HG* 1 32 THR HN 1.0 1.0 -2.0 5.0 ;1.0
1 28 VAL HG* 1 32 THR HN 1.0 1.0 -2.0 7.9 ;3.9
1 28 VAL HB 1 32 THR HN 1.0 1.0 -2.0 4.0 ;mod
1 33 ARG+ HB* 1 32 THR HN 1.0 1.0 -2.0 6.0 ;1.0
1 30 GLU- HG* 1 34 ASN HD2* 1.0 1.0 -2.0 8.0 ;1.0,2.0 mod
1 27 PHE HD* 1 28 VAL HA 1.0 1.0 -2.0 7.0 ;2.0 mod
1 27 PHE HD* 1 28 VAL HB 1.0 1.0 -2.0 7.0 ;2.0
1 37 TRP HE1 1 21 VAL HG1* 1.0 1.0 -2.0 4.5 ;1.5
1 37 TRP HE1 1 21 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 37 TRP HE1 1 33 ARG+ HB* 1.0 1.0 -2.0 6.0 ;1.0 mod
1 37 TRP HE1 1 21 VAL HB 1.0 1.0 -2.0 6.0 ;mod
1 37 TRP HE1 1 33 ARG+ HD* 1.0 1.0 -2.0 6.0 ;1.0
1 37 TRP HE1 1 21 VAL HA 1.0 1.0 -2.0 6.0 ; mod
1 37 TRP HE1 1 22 ILE HA 1.0 1.0 -2.0 6.0 ; mod
1 31 GLU- HN 1 28 VAL HG* 1.0 1.0 -2.0 8.9 ;3.9
1 31 GLU- HN 1 34 ASN HB* 1.0 1.0 -2.0 6.0 ;1.0
1 15 THR HN 1 9 LYS+ HG* 1.0 1.0 -2.0 6.0 ;1.0 mod
1 30 GLU- HN 1 28 VAL HG* 1.0 1.0 -2.0 8.9 ;3.9
1 4 ILE HN 1 7 VAL HG2* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 37 TRP HN 1 38 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5
1 37 TRP HN 1 21 VAL HG2* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 37 TRP HN 1 21 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 37 TRP HN 1 36 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 37 TRP HN 1 36 VAL HG1* 1.0 1.0 -2.0 5.5 ;1.5 mod
1 37 TRP HN 1 40 ILE HD1* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 34 ASN HN 1 30 GLU- HG* 1.0 1.0 -2.0 7.0 ;1.0 mod
1 34 ASN HN 1 33 ARG+ HB* 1.0 1.0 -2.0 6.0 ;1.0
1 23 ASN HN 1 21 VAL HB 1.0 1.0 -2.0 6.0 ; mod
1 23 ASN HN 1 22 ILE HG1* 1.0 1.0 -2.0 6.0 ;1.0 mod
1 23 ASN HN 1 25 THR HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 23 ASN HN 1 22 ILE HG2* 1.0 1.0 -2.0 5.5 ;1.5
1 23 ASN HN 1 22 ILE HD1* 1.0 1.0 -2.0 6.5 ;1.5
1 23 ASN HN 1 21 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5
1 27 PHE HN 1 28 VAL HG* 1.0 1.0 -2.0 8.9 ;3.9
1 40 ILE HN 1 7 VAL HG2* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 40 ILE HN 1 7 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 40 ILE HN 1 36 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 33 ARG+ HN 1 34 ASN HB* 1.0 1.0 -2.0 6.0 ;1.0
1 33 ARG+ HN 1 31 GLU- HB* 1.0 1.0 -2.0 6.0 ;1.0
1 33 ARG+ HN 1 21 VAL HG1* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 33 ARG+ HN 1 21 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 33 ARG+ HN 1 32 THR HG2* 1.0 1.0 -2.0 5.5 ;1.5
1 29 ALA HN 1 28 VAL HG* 1.0 1.0 -2.0 6.9 ;3.9
1 42 GLU- HN 1 40 ILE HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 42 GLU- HN 1 43 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9
1 38 ALA HN 1 34 ASN HB* 1.0 1.0 -2.0 7.0 ;1.0 mod
1 38 ALA HN 1 36 VAL HB 1.0 1.0 -2.0 6.0 ; mod
1 38 ALA HN 1 36 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5
1 38 ALA HN 1 36 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 14 SER HN 1 13 VAL HG1* 1.0 1.0 -2.0 5.5 ;1.5
1 14 SER HN 1 13 VAL HG2* 1.0 1.0 -2.0 5.5 ;1.5
1 14 SER HN 1 9 LYS+ HG* 1.0 1.0 -2.0 7.0 ;1.0 mod
1 14 SER HN 1 13 VAL HB 1.0 1.0 -2.0 3.0
1 14 SER HN 1 17 THR HB 1.0 1.0 -2.0 4.0 ; mod
1 36 VAL HN 1 21 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5
1 36 VAL HN 1 21 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 36 VAL HN 1 32 THR HG2* 1.0 1.0 -2.0 6.5 ;1.5
1 36 VAL HN 1 11 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 21 VAL HN 1 36 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 21 VAL HN 1 36 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 43 LEU HA 1 44 HIS HD2 1.0 1.0 -2.0 6.0 ;1.0
;
; ADDITION 941020
; 940919
; HA(I)-HN(I+1)
1 45 TYR HE* 1 47 PRO HB* 1.0 1.0 -2.0 8.0 ;1.0,2.0
1 45 TYR HE* 1 47 PRO HG* 1.0 1.0 -2.0 7.0 ;1.0,2.0
1 45 TYR HD* 1 47 PRO HG* 1.0 1.0 -2.0 7.0 ;1.0,2.0
1 45 TYR HE* 1 47 PRO HD* 1.0 1.0 -2.0 8.0 ;1.0,2.0
1 45 TYR HD* 1 47 PRO HD* 1.0 1.0 -2.0 8.0 ;1.0,2.0
1 40 ILE HG12 1 41 LYS+ HN 1.0 1.0 -2.0 6.0 ;mod
1 40 ILE HG11 1 41 LYS+ HN 1.0 1.0 -2.0 6.0 ;mod
1 40 ILE HG1* 1 39 ALA HN 1.0 1.0 -2.0 7.0 ;1.0 mod
1 7 VAL HG2* 1 6 ASP- HN 1.0 1.0 -2.0 6.5 ;1.5 mod
1 7 VAL HG2* 1 5 LYS+ HN 1.0 1.0 -2.0 7.5 ;1.5 mod
1 7 VAL HG* 1 43 LEU HN 1.0 1.0 -2.0 8.9 ;3.9
1 7 VAL HG1* 1 10 ARG+ HN 1.0 1.0 -2.0 6.5 ;1.5
1 40 ILE HD1* 1 41 LYS+ HN 1.0 1.0 -2.0 5.5 ;1.5
1 13 VAL HG* 1 12 ASN HN 1.0 1.0 -2.0 8.9 ;3.9
1 27 PHE HD* 1 29 ALA HA 1.0 1.0 -2.0 6.0 ;2.0
1 27 PHE HE* 1 29 ALA HA 1.0 1.0 -2.0 7.0 ;2.0
1 37 TRP HH2 1 40 ILE HD1* 1.0 1.0 -2.0 6.5 ;1.5
1 37 TRP HH2 1 22 ILE HA 1.0 1.0 -2.0 5.0 ; mod
1 37 TRP HH2 1 21 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5
1 37 TRP HH2 1 21 VAL HG2* 1.0 1.0 -2.0 7.5 ;1.5 mod
1 4 ILE HA 1 7 VAL HG2* 1.0 1.0 -2.0 5.5 ;1.5
1 4 ILE HA 1 7 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5 mod
1 15 THR HA 1 18 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5
1 15 THR HA 1 18 VAL HG2* 1.0 1.0 -2.0 4.5 ;1.5 mod
1 43 LEU HB* 1 44 HIS HN 1.0 1.0 -2.0 6.0 ;1.0
1 41 LYS+ HG* 1 42 GLU- HN 1.0 1.0 -2.0 6.0 ;1.0
1 41 LYS+ HD* 1 42 GLU- HN 1.0 1.0 -2.0 6.0 ;1.0
1 42 GLU- HB* 1 43 LEU HN 1.0 1.0 -2.0 4.0 ;1.0
1 42 GLU- HG* 1 43 LEU HN 1.0 1.0 -2.0 6.0 ;1.0
1 45 TYR HB* 1 44 HIS HN 1.0 1.0 -2.0 6.0 ;1.0
1 13 VAL HB 1 17 THR HN 1.0 1.0 -2.0 5.0
1 40 ILE HB 1 39 ALA HN 1.0 1.0 -2.0 5.0
1 10 ARG+ HB* 1 12 ASN HN 1.0 1.0 -2.0 6.0 ;1.0 mod
1 40 ILE HG1* 1 41 LYS+ HN 1.0 1.0 -2.0 6.0 ;1.0 mod
1 41 LYS+ HN 1 42 GLU- HA 1.0 1.0 -2.0 5.0
1 7 VAL HG1* 1 8 ALA HN 1.0 1.0 -2.0 5.5 ;1.5
1 7 VAL HG2* 1 8 ALA HN 1.0 1.0 -2.0 6.5 ;1.5
1 43 LEU HD* 1 7 VAL HN 1.0 1.0 -2.0 8.9 ;3.9 mod
;
; 941021
1 15 THR HB 1 4 ILE HD1* 1.0 1.0 -2.00 5.50
1 15 THR HB 1 4 ILE HG2* 1.0 1.0 -2.00 6.50
1 15 THR HB 1 4 ILE HG1* 1.0 1.0 -2.00 6.00
Contact the webmaster for help, if required. Monday, April 29, 2024 12:18:26 PM GMT (wattos1)