NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
6351 |
1iv6   |
5317 | cing | 1-original | 1 | EMBOSS | distance | NOE | simple |
;Distance restraints for TRF1-tr13 complex
;INTRA RESIDUE NOES
1 2 LYS+ HB* 1 2 LYS+ HN 1.0 1.0 -2.0 5.60
1 2 LYS+ HG* 1 2 LYS+ HN 1.0 1.0 -2.0 6.00
1 4 ARG+ HB* 1 4 ARG+ HN 1.0 1.0 -2.0 5.60
1 4 ARG+ HD* 1 4 ARG+ HN 1.0 1.0 -2.0 6.00
1 5 ALA HB* 1 5 ALA HN 1.0 1.0 -2.0 4.60
1 6 ARG+ HB* 1 6 ARG+ HN 1.0 1.0 -2.0 5.60 ;
1 6 ARG+ HG* 1 6 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 6 ARG+ HD* 1 6 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 7 LYS+ HA 1 7 LYS+ HN 1.0 1.0 -2.0 3.50 ;
1 7 LYS+ HB* 1 7 LYS+ HN 1.0 1.0 -2.0 5.60 ;
1 7 LYS+ HG* 1 7 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 8 ARG+ HA 1 8 ARG+ HN 1.0 1.0 -2.0 3.50 ;
1 8 ARG+ HB* 1 8 ARG+ HN 1.0 1.0 -2.0 5.60 ;
1 8 ARG+ HG* 1 8 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 9 GLN HA 1 9 GLN HN 1.0 1.0 -2.0 5.00 ;
1 9 GLN HB* 1 9 GLN HN 1.0 1.0 -2.0 6.00 ;
1 9 GLN HG* 1 9 GLN HN 1.0 1.0 -2.0 6.00 ;
1 10 ALA HA 1 10 ALA HN 1.0 1.0 -2.0 5.00 ;
1 10 ALA HB* 1 10 ALA HN 1.0 1.0 -2.0 4.60 ;
1 11 TRP HB2 1 11 TRP HN 1.0 1.0 -2.0 5.00 ;
1 11 TRP HB1 1 11 TRP HN 1.0 1.0 -2.0 3.50 ;
1 11 TRP HD1 1 11 TRP HN 1.0 1.0 -2.0 3.50 ;
1 11 TRP HE3 1 11 TRP HN 1.0 1.0 -2.0 6.00 ;
1 11 TRP HA 1 11 TRP HD1 1.0 1.0 -2.0 5.00 ;
1 11 TRP HB2 1 11 TRP HD1 1.0 1.0 -2.0 5.00 ;
1 11 TRP HB1 1 11 TRP HD1 1.0 1.0 -2.0 5.00 ;
1 11 TRP HA 1 11 TRP HE3 1.0 1.0 -2.0 5.00 ;
1 11 TRP HB2 1 11 TRP HE3 1.0 1.0 -2.0 5.00 ;
1 11 TRP HB1 1 11 TRP HE3 1.0 1.0 -2.0 5.00 ;
1 12 LEU HB* 1 12 LEU HN 1.0 1.0 -2.0 4.10 ;
1 12 LEU HG 1 12 LEU HN 1.0 1.0 -2.0 5.00 ;
1 12 LEU HD* 1 12 LEU HN 1.0 1.0 -2.0 6.10 ;
1 13 TRP HB* 1 13 TRP HN 1.0 1.0 -2.0 5.60 ;
1 13 TRP HD1* 1 13 TRP HN 1.0 1.0 -2.0 5.00 ;
1 13 TRP HE1 1 13 TRP HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HB* 1 14 GLU- HN 1.0 1.0 -2.0 4.10 ;
1 14 GLU- HG* 1 14 GLU- HN 1.0 1.0 -2.0 6.00 ;
1 15 GLU- HB2 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 15 GLU- HB1 1 15 GLU- HN 1.0 1.0 -2.0 2.80 ;
1 15 GLU- HG* 1 15 GLU- HN 1.0 1.0 -2.0 6.00 ;
1 16 ASP- HB2 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 16 ASP- HB1 1 16 ASP- HN 1.0 1.0 -2.0 3.50 ;
1 17 LYS+ HB* 1 17 LYS+ HN 1.0 1.0 -2.0 4.10 ;
1 17 LYS+ HG* 1 17 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 18 ASN HB* 1 18 ASN HN 1.0 1.0 -2.0 5.00 ;
1 19 LEU HB2 1 19 LEU HN 1.0 1.0 -2.0 3.50 ;
1 19 LEU HB1 1 19 LEU HN 1.0 1.0 -2.0 3.50 ;
1 19 LEU HG 1 19 LEU HN 1.0 1.0 -2.0 5.00 ;
1 19 LEU HD1* 1 19 LEU HN 1.0 1.0 -2.0 6.50 ;
1 19 LEU HD2* 1 19 LEU HN 1.0 1.0 -2.0 6.50 ;
1 20 ARG+ HB* 1 20 ARG+ HN 1.0 1.0 -2.0 4.10 ;
1 20 ARG+ HG* 1 20 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 20 ARG+ HD* 1 20 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 21 SER HB* 1 21 SER HN 1.0 1.0 -2.0 4.10 ;
1 23 VAL HB 1 23 VAL HN 1.0 1.0 -2.0 3.50 ;
1 23 VAL HG1* 1 23 VAL HN 1.0 1.0 -2.0 5.00 ;
1 23 VAL HG2* 1 23 VAL HN 1.0 1.0 -2.0 4.30 ;
1 24 ARG+ HB* 1 24 ARG+ HN 1.0 1.0 -2.0 4.10 ;
1 24 ARG+ HG* 1 24 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 24 ARG+ HD* 1 24 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 25 LYS+ HB* 1 25 LYS+ HN 1.0 1.0 -2.0 4.10 ;
1 25 LYS+ HG* 1 25 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 25 LYS+ HE* 1 25 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 26 TYR HB* 1 26 TYR HN 1.0 1.0 -2.0 4.10 ;
1 28 GLU- HB* 1 28 GLU- HN 1.0 1.0 -2.0 4.10 ;
1 28 GLU- HG* 1 28 GLU- HN 1.0 1.0 -2.0 6.00 ;
1 30 ASN HB* 1 30 ASN HN 1.0 1.0 -2.0 4.10 ;
1 31 TRP HB2 1 31 TRP HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HB1 1 31 TRP HN 1.0 1.0 -2.0 3.50 ;
1 32 SER HB* 1 32 SER HN 1.0 1.0 -2.0 5.60 ;
1 33 LYS+ HB* 1 33 LYS+ HN 1.0 1.0 -2.0 4.10 ;
1 33 LYS+ HG* 1 33 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 34 ILE HB 1 34 ILE HN 1.0 1.0 -2.0 2.80 ;
1 34 ILE HG1* 1 34 ILE HN 1.0 1.0 -2.0 4.50 ;
1 34 ILE HG2* 1 34 ILE HN 1.0 1.0 -2.0 5.00 ;
1 34 ILE HD* 1 34 ILE HN 1.0 1.0 -2.0 5.00 ;
1 35 LEU HB* 1 35 LEU HN 1.0 1.0 -2.0 3.50 ;
;
1 35 LEU HG 1 35 LEU HN 1.0 1.0 -2.0 5.00 ;
1 35 LEU HD* 1 35 LEU HN 1.0 1.0 -2.0 6.70 ;
1 36 LEU HB* 1 36 LEU HN 1.0 1.0 -2.0 4.10 ;
1 36 LEU HG 1 36 LEU HN 1.0 1.0 -2.0 5.00 ;
1 36 LEU HD* 1 36 LEU HN 1.0 1.0 -2.0 8.20 ;
1 37 HIS HB* 1 37 HIS HN 1.0 1.0 -2.0 4.10 ;
1 38 TYR HB* 1 38 TYR HN 1.0 1.0 -2.0 4.10 ;
1 39 LYS+ HB* 1 39 LYS+ HN 1.0 1.0 -2.0 4.10 ;
1 39 LYS+ HG* 1 39 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 40 PHE HB2 1 40 PHE HN 1.0 1.0 -2.0 5.00 ;
1 40 PHE HB1 1 40 PHE HN 1.0 1.0 -2.0 3.50 ;
1 40 PHE HD* 1 40 PHE HN 1.0 1.0 -2.0 4.80 ;
1 41 ASN HB* 1 41 ASN HN 1.0 1.0 -2.0 4.10 ;
1 42 ASN HB* 1 42 ASN HN 1.0 1.0 -2.0 5.60 ;
1 43 ARG+ HB2 1 43 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HB1 1 43 ARG+ HN 1.0 1.0 -2.0 2.80 ;
1 43 ARG+ HG* 1 43 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 43 ARG+ HD* 1 43 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 44 THR HG2* 1 44 THR HN 1.0 1.0 -2.0 5.00 ;
1 45 SER HB* 1 45 SER HN 1.0 1.0 -2.0 5.60 ;
1 46 VAL HB 1 46 VAL HN 1.0 1.0 -2.0 3.50 ;
1 46 VAL HG* 1 46 VAL HN 1.0 1.0 -2.0 8.20 ;
1 47 MET HB* 1 47 MET HN 1.0 1.0 -2.0 4.10 ;
1 47 MET HG* 1 47 MET HN 1.0 1.0 -2.0 4.50 ;
1 48 LEU HB2 1 48 LEU HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HB1 1 48 LEU HN 1.0 1.0 -2.0 3.50 ;
1 48 LEU HG 1 48 LEU HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HD1* 1 48 LEU HN 1.0 1.0 -2.0 6.50 ;
1 48 LEU HD2* 1 48 LEU HN 1.0 1.0 -2.0 6.50 ;
1 49 LYS+ HB* 1 49 LYS+ HN 1.0 1.0 -2.0 4.10 ;
1 49 LYS+ HG* 1 49 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 49 LYS+ HE* 1 49 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 50 ASP- HB* 1 50 ASP- HN 1.0 1.0 -2.0 4.10 ;
1 51 ARG+ HA 1 51 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HB2 1 51 ARG+ HN 1.0 1.0 -2.0 3.50 ;
1 51 ARG+ HB1 1 51 ARG+ HN 1.0 1.0 -2.0 3.50 ;
1 51 ARG+ HG* 1 51 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 51 ARG+ HA 1 51 ARG+ HE 1.0 1.0 -2.0 5.00 ;
1 52 TRP HB* 1 52 TRP HN 1.0 1.0 -2.0 4.10 ;
1 52 TRP HD1* 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 52 TRP HE3 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 52 TRP HE1 1 52 TRP HB* 1.0 1.0 -2.0 6.00 ;
1 53 ARG+ HB* 1 53 ARG+ HN 1.0 1.0 -2.0 3.60 ;
1 53 ARG+ HG* 1 53 ARG+ HN 1.0 1.0 -2.0 5.60 ;
1 54 THR HB 1 54 THR HN 1.0 1.0 -2.0 3.00 ;
1 54 THR HG2* 1 54 THR HN 1.0 1.0 -2.0 5.00 ;
1 55 MET HB* 1 55 MET HN 1.0 1.0 -2.0 4.10 ;
1 55 MET HG* 1 55 MET HN 1.0 1.0 -2.0 4.50 ;
1 55 MET HE* 1 55 MET HN 1.0 1.0 -2.0 6.50 ;
1 56 LYS+ HB* 1 56 LYS+ HN 1.0 1.0 -2.0 4.10 ;
1 56 LYS+ HG* 1 56 LYS+ HN 1.0 1.0 -2.0 4.50 ;
1 56 LYS+ HD* 1 56 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 57 LYS+ HB* 1 57 LYS+ HN 1.0 1.0 -2.0 3.60 ;
1 57 LYS+ HG* 1 57 LYS+ HN 1.0 1.0 -2.0 4.50 ;
1 57 LYS+ HD* 1 57 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 58 LEU HB* 1 58 LEU HN 1.0 1.0 -2.0 4.10 ;
1 58 LEU HG 1 58 LEU HN 1.0 1.0 -2.0 5.00 ;
1 58 LEU HD* 1 58 LEU HN 1.0 1.0 -2.0 8.40 ;
1 59 LYS+ HB* 1 59 LYS+ HN 1.0 1.0 -2.0 4.60 ;
1 59 LYS+ HG* 1 59 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 60 LEU HB* 1 60 LEU HN 1.0 1.0 -2.0 4.60 ;
1 60 LEU HG 1 60 LEU HN 1.0 1.0 -2.0 6.00 ;
1 60 LEU HD* 1 60 LEU HN 1.0 1.0 -2.0 5.70 ;
1 61 ILE HB 1 61 ILE HN 1.0 1.0 -2.0 3.00 ;
1 61 ILE HG1* 1 61 ILE HN 1.0 1.0 -2.0 4.50 ;
1 61 ILE HG2* 1 61 ILE HN 1.0 1.0 -2.0 6.00 ;
1 61 ILE HD* 1 61 ILE HN 1.0 1.0 -2.0 6.50 ;
1 62 SER HB* 1 62 SER HN 1.0 1.0 -2.0 5.60 ;
1 63 SER HA 1 63 SER HN 1.0 1.0 -2.0 5.00 ;
1 63 SER HB* 1 63 SER HN 1.0 1.0 -2.0 5.60 ;
1 64 ASP- HA 1 64 ASP- HN 1.0 1.0 -2.0 4.00 ;
1 64 ASP- HB* 1 64 ASP- HN 1.0 1.0 -2.0 4.60 ;
1 65 SER HA 1 65 SER HN 1.0 1.0 -2.0 4.00 ;
1 65 SER HB* 1 65 SER HN 1.0 1.0 -2.0 4.60 ;
1 66 GLU- HA 1 66 GLU- HN 1.0 1.0 -2.0 4.00 ;
1 66 GLU- HB* 1 66 GLU- HN 1.0 1.0 -2.0 4.60 ;
1 66 GLU- HG* 1 66 GLU- HN 1.0 1.0 -2.0 4.60 ;
1 67 ASP- HA 1 67 ASP- HN 1.0 1.0 -2.0 4.00 ;
1 67 ASP- HB* 1 67 ASP- HN 1.0 1.0 -2.0 4.60 ;
;INTER-RESIDUE NOEs
;HA(i)-HN(i+1)
1 1 GLU- HA 1 2 LYS+ HN 1.0 1.0 -2.0 5.00
1 2 LYS+ HA 1 3 HIS HN 1.0 1.0 -2.0 5.00
1 4 ARG+ HA 1 5 ALA HN 1.0 1.0 -2.0 5.00
1 5 ALA HA 1 6 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 6 ARG+ HA 1 7 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 7 LYS+ HA 1 8 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 8 ARG+ HA 1 9 GLN HN 1.0 1.0 -2.0 4.00 ;
1 9 GLN HA 1 10 ALA HN 1.0 1.0 -2.0 4.00 ;
1 10 ALA HA 1 11 TRP HN 1.0 1.0 -2.0 4.00 ;
1 11 TRP HA 1 12 LEU HN 1.0 1.0 -2.0 4.00 ;
1 12 LEU HA 1 13 TRP HN 1.0 1.0 -2.0 5.00 ;
1 13 TRP HA 1 14 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HA 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 15 GLU- HA 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 16 ASP- HA 1 17 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 17 LYS+ HA 1 18 ASN HN 1.0 1.0 -2.0 5.00 ;
1 18 ASN HA 1 19 LEU HN 1.0 1.0 -2.0 5.00 ;
1 19 LEU HA 1 20 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 20 ARG+ HA 1 21 SER HN 1.0 1.0 -2.0 5.00 ;
1 21 SER HA 1 22 GLY HN 1.0 1.0 -2.0 5.00 ;
1 22 GLY HA1 1 23 VAL HN 1.0 1.0 -2.0 5.00 ;
1 22 GLY HA2 1 23 VAL HN 1.0 1.0 -2.0 5.00 ;
1 23 VAL HA 1 24 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 24 ARG+ HA 1 25 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 25 LYS+ HA 1 26 TYR HN 1.0 1.0 -2.0 5.00 ;
1 26 TYR HA 1 27 GLY HN 1.0 1.0 -2.0 5.00 ;
1 27 GLY HA* 1 28 GLU- HN 1.0 1.0 -2.0 4.50 ;
1 28 GLU- HA 1 29 GLY HN 1.0 1.0 -2.0 4.00 ;
1 29 GLY HA* 1 30 ASN HN 1.0 1.0 -2.0 6.00 ;
1 30 ASN HA 1 31 TRP HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HA 1 32 SER HN 1.0 1.0 -2.0 5.00 ;
1 32 SER HA 1 33 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 33 LYS+ HA 1 34 ILE HN 1.0 1.0 -2.0 5.00 ;
1 34 ILE HA 1 35 LEU HN 1.0 1.0 -2.0 5.00 ;
1 35 LEU HA 1 36 LEU HN 1.0 1.0 -2.0 5.00 ;
1 36 LEU HA 1 37 HIS HN 1.0 1.0 -2.0 4.00 ;
1 37 HIS HA 1 38 TYR HN 1.0 1.0 -2.0 5.00 ;
1 38 TYR HA 1 39 LYS+ HN 1.0 1.0 -2.0 3.00 ;
1 39 LYS+ HA 1 40 PHE HN 1.0 1.0 -2.0 3.00 ;
1 40 PHE HA 1 41 ASN HN 1.0 1.0 -2.0 3.00 ;
1 42 ASN HA 1 43 ARG+ HN 1.0 1.0 -2.0 3.00 ;
1 43 ARG+ HA 1 44 THR HN 1.0 1.0 -2.0 3.00 ;
1 44 THR HA 1 45 SER HN 1.0 1.0 -2.0 5.00 ;
1 45 SER HA 1 46 VAL HN 1.0 1.0 -2.0 5.00 ;
1 46 VAL HA 1 47 MET HN 1.0 1.0 -2.0 5.00 ;
1 47 MET HA 1 48 LEU HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HA 1 49 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 49 LYS+ HA 1 50 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 50 ASP- HA 1 51 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HA 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 52 TRP HA 1 53 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 53 ARG+ HA 1 54 THR HN 1.0 1.0 -2.0 5.00 ;
1 54 THR HA 1 55 MET HN 1.0 1.0 -2.0 5.00 ;
1 55 MET HA 1 56 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 56 LYS+ HA 1 57 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 57 LYS+ HA 1 58 LEU HN 1.0 1.0 -2.0 5.00 ;
1 58 LEU HA 1 59 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 59 LYS+ HA 1 60 LEU HN 1.0 1.0 -2.0 4.00 ;
1 60 LEU HA 1 61 ILE HN 1.0 1.0 -2.0 4.00 ;
1 61 ILE HA 1 62 SER HN 1.0 1.0 -2.0 5.00 ;
1 63 SER HA 1 64 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 64 ASP- HA 1 65 SER HN 1.0 1.0 -2.0 5.00 ;
1 65 SER HA 1 66 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 66 GLU- HA 1 67 ASP- HN 1.0 1.0 -2.0 6.00 ;
;HA(i)-HN(i+2)
1 12 LEU HA 1 14 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 13 TRP HA 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HA 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 17 LYS+ HA 1 19 LEU HN 1.0 1.0 -2.0 5.00 ;
1 23 VAL HA 1 25 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 25 LYS+ HA 1 27 GLY HN 1.0 1.0 -2.0 5.00 ;
1 28 GLU- HA 1 30 ASN HN 1.0 1.0 -2.0 5.00 ;
1 30 ASN HA 1 32 SER HN 1.0 1.0 -2.0 5.00 ;
1 33 LYS+ HA 1 35 LEU HN 1.0 1.0 -2.0 5.00 ;
1 36 LEU HA 1 38 TYR HN 1.0 1.0 -2.0 5.00 ;
1 58 LEU HA 1 60 LEU HN 1.0 1.0 -2.0 5.00 ;
;HA(i)-HN(i+3)
1 13 TRP HA 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HA 1 17 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 15 GLU- HA 1 18 ASN HN 1.0 1.0 -2.0 5.00 ;
1 16 ASP- HA 1 19 LEU HN 1.0 1.0 -2.0 4.00 ;
1 17 LYS+ HA 1 20 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 18 ASN HA 1 21 SER HN 1.0 1.0 -2.0 5.00 ;
1 19 LEU HA 1 22 GLY HN 1.0 1.0 -2.0 5.00 ;
1 20 ARG+ HA 1 23 VAL HN 1.0 1.0 -2.0 5.00 ;
1 21 SER HA 1 24 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 22 GLY HA1 1 25 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 30 ASN HA 1 33 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HA 1 34 ILE HN 1.0 1.0 -2.0 5.00 ;
1 32 SER HA 1 35 LEU HN 1.0 1.0 -2.0 4.00 ;
1 33 LYS+ HA 1 36 LEU HN 1.0 1.0 -2.0 4.00 ;
1 34 ILE HA 1 37 HIS HN 1.0 1.0 -2.0 5.00 ;
1 35 LEU HA 1 38 TYR HN 1.0 1.0 -2.0 5.00 ;
1 45 SER HA 1 48 LEU HN 1.0 1.0 -2.0 5.00 ;
1 46 VAL HA 1 49 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 47 MET HA 1 50 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HA 1 51 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 49 LYS+ HA 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 50 ASP- HA 1 53 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 51 ARG+ HA 1 54 THR HN 1.0 1.0 -2.0 5.00 ;
1 52 TRP HA 1 55 MET HN 1.0 1.0 -2.0 5.00 ;
1 53 ARG+ HA 1 56 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 54 THR HA 1 57 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 55 MET HA 1 58 LEU HN 1.0 1.0 -2.0 5.00 ;
1 56 LYS+ HA 1 59 LYS+ HN 1.0 1.0 -2.0 5.00 ;
;HA(i)-HN(i+4)
1 13 TRP HA 1 17 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HA 1 18 ASN HN 1.0 1.0 -2.0 5.00 ;
1 15 GLU- HA 1 19 LEU HN 1.0 1.0 -2.0 5.00 ;
1 16 ASP- HA 1 20 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 17 LYS+ HA 1 21 SER HN 1.0 1.0 -2.0 5.00 ;
1 18 ASN HA 1 22 GLY HN 1.0 1.0 -2.0 5.00 ;
1 19 LEU HA 1 23 VAL HN 1.0 1.0 -2.0 5.00 ;
1 20 ARG+ HA 1 24 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 21 SER HA 1 25 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HA 1 35 LEU HN 1.0 1.0 -2.0 5.00 ;
1 32 SER HA 1 36 LEU HN 1.0 1.0 -2.0 5.00 ;
1 33 LYS+ HA 1 37 HIS HN 1.0 1.0 -2.0 5.00 ;
1 34 ILE HA 1 38 TYR HN 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HA 1 47 MET HN 1.0 1.0 -2.0 6.00 ;
1 45 SER HA 1 49 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 46 VAL HA 1 50 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 47 MET HA 1 51 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HA 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 50 ASP- HA 1 54 THR HN 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HA 1 55 MET HN 1.0 1.0 -2.0 5.00 ;
1 52 TRP HA 1 56 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 53 ARG+ HA 1 57 LYS+ HN 1.0 1.0 -2.0 5.00 ;
;HB(i)-HN(i+1)
1 1 GLU- HB* 1 2 LYS+ HN 1.0 1.0 -2.0 6.00
1 4 ARG+ HB* 1 5 ALA HN 1.0 1.0 -2.0 6.00
1 5 ALA HB* 1 6 ARG+ HN 1.0 1.0 -2.0 5.50
1 6 ARG+ HB* 1 7 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 7 LYS+ HB* 1 8 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 8 ARG+ HB* 1 9 GLN HN 1.0 1.0 -2.0 6.00 ;
1 9 GLN HB* 1 10 ALA HN 1.0 1.0 -2.0 6.00 ;
1 10 ALA HB* 1 11 TRP HN 1.0 1.0 -2.0 5.50 ;
1 11 TRP HB2 1 12 LEU HN 1.0 1.0 -2.0 5.00 ;
1 11 TRP HB1 1 12 LEU HN 1.0 1.0 -2.0 4.00 ;
1 12 LEU HB* 1 13 TRP HN 1.0 1.0 -2.0 6.00 ;
1 13 TRP HB* 1 14 GLU- HN 1.0 1.0 -2.0 6.00 ;
1 14 GLU- HB* 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 15 GLU- HB2 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 15 GLU- HB1 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 16 ASP- HB2 1 17 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 16 ASP- HB1 1 17 LYS+ HN 1.0 1.0 -2.0 3.00 ;
1 17 LYS+ HB* 1 18 ASN HN 1.0 1.0 -2.0 5.00 ;
1 18 ASN HB* 1 19 LEU HN 1.0 1.0 -2.0 6.00 ;
1 19 LEU HB2 1 20 ARG+ HN 1.0 1.0 -2.0 3.00 ;
1 19 LEU HB1 1 20 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 20 ARG+ HB* 1 21 SER HN 1.0 1.0 -2.0 5.00 ;
1 21 SER HB* 1 22 GLY HN 1.0 1.0 -2.0 6.00 ;
1 23 VAL HB 1 24 ARG+ HN 1.0 1.0 -2.0 3.00 ;
1 24 ARG+ HB* 1 25 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 25 LYS+ HB* 1 26 TYR HN 1.0 1.0 -2.0 4.00 ;
1 26 TYR HB* 1 27 GLY HN 1.0 1.0 -2.0 6.00 ;
1 28 GLU- HB* 1 29 GLY HN 1.0 1.0 -2.0 6.00 ;
1 30 ASN HB* 1 31 TRP HN 1.0 1.0 -2.0 6.00 ;
1 31 TRP HB2 1 32 SER HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HB1 1 32 SER HN 1.0 1.0 -2.0 5.00 ;
1 32 SER HB* 1 33 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 33 LYS+ HB* 1 34 ILE HN 1.0 1.0 -2.0 6.00 ;
1 34 ILE HB 1 35 LEU HN 1.0 1.0 -2.0 4.00 ;
1 35 LEU HB* 1 36 LEU HN 1.0 1.0 -2.0 5.00 ;
1 36 LEU HB* 1 37 HIS HN 1.0 1.0 -2.0 5.00 ;
1 37 HIS HB* 1 38 TYR HN 1.0 1.0 -2.0 5.00 ;
1 38 TYR HB* 1 39 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 39 LYS+ HB* 1 40 PHE HN 1.0 1.0 -2.0 5.00 ;
1 40 PHE HB2 1 41 ASN HN 1.0 1.0 -2.0 5.00 ;
1 40 PHE HB1 1 41 ASN HN 1.0 1.0 -2.0 5.00 ;
1 41 ASN HB* 1 42 ASN HN 1.0 1.0 -2.0 7.00 ;
1 42 ASN HB* 1 43 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 43 ARG+ HB2 1 44 THR HN 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HB1 1 44 THR HN 1.0 1.0 -2.0 5.00 ;
1 44 THR HB 1 45 SER HN 1.0 1.0 -2.0 5.00 ;
1 45 SER HB* 1 46 VAL HN 1.0 1.0 -2.0 6.00 ;
1 46 VAL HB 1 47 MET HN 1.0 1.0 -2.0 4.00 ;
1 47 MET HB* 1 48 LEU HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HB2 1 49 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HB1 1 49 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 49 LYS+ HB* 1 50 ASP- HN 1.0 1.0 -2.0 6.00 ;
1 50 ASP- HB* 1 51 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 51 ARG+ HB2 1 52 TRP HN 1.0 1.0 -2.0 4.00 ;
1 51 ARG+ HB1 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 52 TRP HB* 1 53 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 53 ARG+ HB* 1 54 THR HN 1.0 1.0 -2.0 6.00 ;
1 54 THR HB 1 55 MET HN 1.0 1.0 -2.0 5.00 ;
1 55 MET HB* 1 56 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 56 LYS+ HB* 1 57 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 57 LYS+ HB* 1 58 LEU HN 1.0 1.0 -2.0 5.00 ;
1 58 LEU HB* 1 59 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 59 LYS+ HB* 1 60 LEU HN 1.0 1.0 -2.0 6.00 ;
1 60 LEU HB* 1 61 ILE HN 1.0 1.0 -2.0 6.00 ;
1 61 ILE HB 1 62 SER HN 1.0 1.0 -2.0 6.00 ;
1 63 SER HB* 1 64 ASP- HN 1.0 1.0 -2.0 6.00 ;
1 64 ASP- HB* 1 65 SER HN 1.0 1.0 -2.0 6.00 ;
1 65 SER HB* 1 66 GLU- HN 1.0 1.0 -2.0 6.00 ;
;HN(i)-HN(i+1)
1 6 ARG+ HN 1 7 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 7 LYS+ HN 1 8 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 8 ARG+ HN 1 9 GLN HN 1.0 1.0 -2.0 5.00 ;
1 9 GLN HN 1 10 ALA HN 1.0 1.0 -2.0 5.00 ;
1 10 ALA HN 1 11 TRP HN 1.0 1.0 -2.0 5.00 ;
1 11 TRP HN 1 12 LEU HN 1.0 1.0 -2.0 6.00 ;
1 12 LEU HN 1 13 TRP HN 1.0 1.0 -2.0 6.00 ;
1 13 TRP HN 1 14 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HN 1 15 GLU- HN 1.0 1.0 -2.0 4.00 ;
1 15 GLU- HN 1 16 ASP- HN 1.0 1.0 -2.0 4.00 ;
1 16 ASP- HN 1 17 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 17 LYS+ HN 1 18 ASN HN 1.0 1.0 -2.0 4.00 ;
1 18 ASN HN 1 19 LEU HN 1.0 1.0 -2.0 4.00 ;
1 19 LEU HN 1 20 ARG+ HN 1.0 1.0 -2.0 3.00 ;
1 20 ARG+ HN 1 21 SER HN 1.0 1.0 -2.0 4.00 ;
1 21 SER HN 1 22 GLY HN 1.0 1.0 -2.0 4.00 ;
1 22 GLY HN 1 23 VAL HN 1.0 1.0 -2.0 4.00 ;
1 23 VAL HN 1 24 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 24 ARG+ HN 1 25 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 25 LYS+ HN 1 26 TYR HN 1.0 1.0 -2.0 4.00 ;
1 26 TYR HN 1 27 GLY HN 1.0 1.0 -2.0 3.00 ;
1 27 GLY HN 1 28 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 29 GLY HN 1 30 ASN HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HN 1 32 SER HN 1.0 1.0 -2.0 5.00 ;
1 32 SER HN 1 33 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 33 LYS+ HN 1 34 ILE HN 1.0 1.0 -2.0 4.00 ;
1 34 ILE HN 1 35 LEU HN 1.0 1.0 -2.0 4.00 ;
1 35 LEU HN 1 36 LEU HN 1.0 1.0 -2.0 4.00 ;
1 36 LEU HN 1 37 HIS HN 1.0 1.0 -2.0 3.00 ;
1 37 HIS HN 1 38 TYR HN 1.0 1.0 -2.0 3.00 ;
1 39 LYS+ HN 1 40 PHE HN 1.0 1.0 -2.0 5.00 ;
1 40 PHE HN 1 41 ASN HN 1.0 1.0 -2.0 5.00 ;
1 41 ASN HN 1 42 ASN HN 1.0 1.0 -2.0 6.00 ;
1 42 ASN HN 1 43 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 43 ARG+ HN 1 44 THR HN 1.0 1.0 -2.0 5.00 ;
1 44 THR HN 1 45 SER HN 1.0 1.0 -2.0 5.00 ;
1 45 SER HN 1 46 VAL HN 1.0 1.0 -2.0 5.00 ;
1 46 VAL HN 1 47 MET HN 1.0 1.0 -2.0 4.00 ;
1 47 MET HN 1 48 LEU HN 1.0 1.0 -2.0 4.00 ;
1 48 LEU HN 1 49 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 49 LYS+ HN 1 50 ASP- HN 1.0 1.0 -2.0 4.00 ;
1 50 ASP- HN 1 51 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 51 ARG+ HN 1 52 TRP HN 1.0 1.0 -2.0 4.00 ;
1 52 TRP HN 1 53 ARG+ HN 1.0 1.0 -2.0 4.00 ;
1 53 ARG+ HN 1 54 THR HN 1.0 1.0 -2.0 4.00 ;
1 54 THR HN 1 55 MET HN 1.0 1.0 -2.0 4.00 ;
1 55 MET HN 1 56 LYS+ HN 1.0 1.0 -2.0 4.00 ;
1 56 LYS+ HN 1 57 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 57 LYS+ HN 1 58 LEU HN 1.0 1.0 -2.0 5.00 ;
1 58 LEU HN 1 59 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 59 LYS+ HN 1 60 LEU HN 1.0 1.0 -2.0 4.00 ;
1 60 LEU HN 1 61 ILE HN 1.0 1.0 -2.0 4.00 ;
1 61 ILE HN 1 62 SER HN 1.0 1.0 -2.0 5.00 ;
1 62 SER HN 1 63 SER HN 1.0 1.0 -2.0 5.00 ;
1 65 SER HN 1 66 GLU- HN 1.0 1.0 -2.0 6.00 ;
1 66 GLU- HN 1 67 ASP- HN 1.0 1.0 -2.0 6.00 ;
;HN(i)-HN(i+2)
1 13 TRP HN 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 14 GLU- HN 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 15 GLU- HN 1 17 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 17 LYS+ HN 1 19 LEU HN 1.0 1.0 -2.0 5.00 ;
1 19 LEU HN 1 21 SER HN 1.0 1.0 -2.0 5.00 ;
1 20 ARG+ HN 1 22 GLY HN 1.0 1.0 -2.0 5.00 ;
1 22 GLY HN 1 24 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 23 VAL HN 1 25 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 24 ARG+ HN 1 26 TYR HN 1.0 1.0 -2.0 5.00 ;
1 25 LYS+ HN 1 27 GLY HN 1.0 1.0 -2.0 5.00 ;
1 30 ASN HN 1 32 SER HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HN 1 33 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 33 LYS+ HN 1 35 LEU HN 1.0 1.0 -2.0 5.00 ;
1 34 ILE HN 1 36 LEU HN 1.0 1.0 -2.0 5.00 ;
1 35 LEU HN 1 37 HIS HN 1.0 1.0 -2.0 5.00 ;
1 36 LEU HN 1 38 TYR HN 1.0 1.0 -2.0 5.00 ;
1 41 ASN HN 1 43 ARG+ HN 1.0 1.0 -2.0 6.00 ;
1 45 SER HN 1 47 MET HN 1.0 1.0 -2.0 5.00 ;
1 46 VAL HN 1 48 LEU HN 1.0 1.0 -2.0 5.00 ;
1 48 LEU HN 1 50 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 49 LYS+ HN 1 51 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HN 1 53 ARG+ HN 1.0 1.0 -2.0 5.00 ;
1 53 ARG+ HN 1 55 MET HN 1.0 1.0 -2.0 5.00 ;
1 55 MET HN 1 57 LYS+ HN 1.0 1.0 -2.0 5.00 ;
1 56 LYS+ HN 1 58 LEU HN 1.0 1.0 -2.0 5.00 ;
1 58 LEU HN 1 60 LEU HN 1.0 1.0 -2.0 5.00 ;
1 59 LYS+ HN 1 61 ILE HN 1.0 1.0 -2.0 5.00 ;
;HN(i)-HN(i+3) 5 ;
1 12 LEU HN 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
;HA(i)-HB(i+3) 5 ;
1 13 TRP HA 1 16 ASP- HB2 1.0 1.0 -2.0 5.00 ;
1 13 TRP HA 1 16 ASP- HB1 1.0 1.0 -2.0 4.00 ;
1 14 GLU- HA 1 17 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 15 GLU- HA 1 18 ASN HB* 1.0 1.0 -2.0 6.00 ;
1 16 ASP- HA 1 19 LEU HB2 1.0 1.0 -2.0 4.00 ;
1 16 ASP- HA 1 19 LEU HB1 1.0 1.0 -2.0 5.00 ;
1 17 LYS+ HA 1 20 ARG+ HB* 1.0 1.0 -2.0 6.00 ;
1 18 ASN HA 1 21 SER HB* 1.0 1.0 -2.0 6.00 ;
1 20 ARG+ HA 1 23 VAL HB 1.0 1.0 -2.0 4.00 ;
1 21 SER HA 1 24 ARG+ HB* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HA 1 34 ILE HB 1.0 1.0 -2.0 5.00 ;
1 32 SER HA 1 35 LEU HB* 1.0 1.0 -2.0 6.00 ;
1 33 LYS+ HA 1 36 LEU HB* 1.0 1.0 -2.0 6.00 ;
1 34 ILE HA 1 37 HIS HB* 1.0 1.0 -2.0 5.00 ;
1 46 VAL HA 1 49 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 47 MET HA 1 50 ASP- HB* 1.0 1.0 -2.0 6.00 ;
1 48 LEU HA 1 51 ARG+ HB2 1.0 1.0 -2.0 4.00 ;
1 48 LEU HA 1 51 ARG+ HB1 1.0 1.0 -2.0 5.00 ;
1 49 LYS+ HA 1 52 TRP HB* 1.0 1.0 -2.0 6.00 ;
1 51 ARG+ HA 1 54 THR HB 1.0 1.0 -2.0 4.00 ;
1 52 TRP HA 1 55 MET HB* 1.0 1.0 -2.0 6.00 ;
1 53 ARG+ HA 1 56 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 54 THR HA 1 57 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 55 MET HA 1 58 LEU HB* 1.0 1.0 -2.0 6.00 ;
;OTHERS
1 5 ALA HN 1 4 ARG+ HG* 1.0 1.0 -2.0 7.00 ;
1 7 LYS+ HN 1 6 ARG+ HG* 1.0 1.0 -2.0 6.00 ;
1 7 LYS+ HN 1 6 ARG+ HD* 1.0 1.0 -2.0 7.00 ;
1 8 ARG+ HN 1 7 LYS+ HG* 1.0 1.0 -2.0 7.00 ;
1 9 GLN HN 1 8 ARG+ HG* 1.0 1.0 -2.0 7.00 ;
1 9 GLN HE2* 1 41 ASN HB* 1.0 1.0 -2.0 7.00 ;
1 11 TRP HD1 1 10 ALA HA 1.0 1.0 -2.0 5.00 ;
1 11 TRP HD1 1 10 ALA HB* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HD1 1 51 ARG+ HD* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HE1 1 47 MET HB* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HE1 1 51 ARG+ HG* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HE1 1 51 ARG+ HD* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ2 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HZ2 1 43 ARG+ HA 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ2 1 43 ARG+ HD* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ2 1 47 MET HA 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ2 1 47 MET HB* 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ2 1 47 MET HG* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ2 1 48 LEU HA 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ2 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HZ2 1 48 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HH2 1 19 LEU HD1* 1.0 1.0 -2.0 7.50 ;
1 11 TRP HH2 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HH2 1 40 PHE HD* 1.0 1.0 -2.0 7.00 ;
1 11 TRP HH2 1 47 MET HA 1.0 1.0 -2.0 6.00 ;
1 11 TRP HH2 1 47 MET HB* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HH2 1 48 LEU HA 1.0 1.0 -2.0 4.00 ;
1 11 TRP HH2 1 48 LEU HG 1.0 1.0 -2.0 4.00 ;
1 11 TRP HH2 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HH2 1 48 LEU HD2* 1.0 1.0 -2.0 4.50 ;
1 11 TRP HZ3 1 15 GLU- HB2 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ3 1 15 GLU- HB1 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ3 1 16 ASP- HA 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ3 1 19 LEU HN 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ3 1 19 LEU HB2 1.0 1.0 -2.0 5.00 ;
1 11 TRP HZ3 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HZ3 1 40 PHE HD* 1.0 1.0 -2.0 7.00 ;
1 11 TRP HZ3 1 40 PHE HE* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ3 1 48 LEU HA 1.0 1.0 -2.0 6.00 ;
1 11 TRP HZ3 1 48 LEU HD1* 1.0 1.0 -2.0 7.50 ;
1 11 TRP HZ3 1 48 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 11 TRP HE3 1 12 LEU HN 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 15 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 15 GLU- HA 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 15 GLU- HB2 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 15 GLU- HB1 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 15 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 11 TRP HE3 1 16 ASP- HN 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 16 ASP- HA 1.0 1.0 -2.0 5.00 ;
1 11 TRP HE3 1 19 LEU HD2* 1.0 1.0 -2.0 7.50 ;
1 12 LEU HN 1 15 GLU- HB2 1.0 1.0 -2.0 5.00 ;
1 12 LEU HN 1 15 GLU- HB1 1.0 1.0 -2.0 5.00 ;
1 12 LEU HN 1 15 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 13 TRP HN 1 12 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 13 TRP HZ3 1 14 GLU- HB* 1.0 1.0 -2.0 5.00 ;
1 13 TRP HZ3 1 14 GLU- HG* 1.0 1.0 -2.0 5.00 ;
1 13 TRP HD1 1 12 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 13 TRP HD1 1 14 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 13 TRP HD1 1 17 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 13 TRP HE3 1 14 GLU- HN 1.0 1.0 -2.0 5.00 ;
1 13 TRP HE3 1 14 GLU- HB* 1.0 1.0 -2.0 5.00 ;
1 13 TRP HE3 1 14 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 13 TRP HE3 1 17 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 14 GLU- HN 1 12 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 15 GLU- HN 1 12 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 15 GLU- HN 1 14 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 16 ASP- HN 1 15 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 18 ASN HN 1 17 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 18 ASN HD2* 1 15 GLU- HA 1.0 1.0 -2.0 6.00 ;
1 18 ASN HD2* 1 15 GLU- HG* 1.0 1.0 -2.0 7.00 ;
1 18 ASN HD2* 1 38 TYR HN 1.0 1.0 -2.0 6.00 ;
1 18 ASN HD2* 1 38 TYR HB* 1.0 1.0 -2.0 7.00 ;
1 18 ASN HD2* 1 39 LYS+ HN 1.0 1.0 -2.0 6.00 ;
1 18 ASN HD2* 1 39 LYS+ HB* 1.0 1.0 -2.0 7.00 ;
1 19 LEU HD1* 1 52 TRP HA 1.0 1.0 -2.0 6.50 ;
1 19 LEU HD2* 1 16 ASP- HA 1.0 1.0 -2.0 6.50 ;
1 19 LEU HD2* 1 51 ARG+ HB2 1.0 1.0 -2.0 6.50 ;
1 19 LEU HD2* 1 51 ARG+ HB1 1.0 1.0 -2.0 6.50 ;
1 19 LEU HD2* 1 51 ARG+ HG* 1.0 1.0 -2.0 7.50 ;
1 19 LEU HD2* 1 52 TRP HA 1.0 1.0 -2.0 6.50 ;
1 20 ARG+ HA 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 20 ARG+ HA 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 21 SER HN 1 20 ARG+ HG* 1.0 1.0 -2.0 6.00 ;
1 22 GLY HN 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 22 GLY HN 1 26 TYR HD* 1.0 1.0 -2.0 7.00 ;
1 22 GLY HN 1 34 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 22 GLY HN 1 34 ILE HG1* 1.0 1.0 -2.0 6.00 ;
1 22 GLY HN 1 34 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 22 GLY HA1 1 34 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 22 GLY HA1 1 34 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 22 GLY HA2 1 34 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 22 GLY HA2 1 34 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 23 VAL HN 1 19 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 23 VAL HN 1 34 ILE HG1* 1.0 1.0 -2.0 6.00 ;
1 23 VAL HN 1 34 ILE HD1* 1.0 1.0 -2.0 5.00 ;
1 23 VAL HA 1 34 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 23 VAL HG1* 1 28 GLU- HB* 1.0 1.0 -2.0 7.50 ;
1 23 VAL HG1* 1 28 GLU- HG* 1.0 1.0 -2.0 7.50 ;
1 23 VAL HG2* 1 19 LEU HA 1.0 1.0 -2.0 6.50 ;
1 23 VAL HG2* 1 19 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 23 VAL HG2* 1 19 LEU HD2* 1.0 1.0 -2.0 8.00 ;
1 23 VAL HG2* 1 28 GLU- HB* 1.0 1.0 -2.0 7.50 ;
1 23 VAL HG2* 1 28 GLU- HG* 1.0 1.0 -2.0 7.50 ;
1 23 VAL HG2* 1 34 ILE HD* 1.0 1.0 -2.0 8.00 ;
1 24 ARG+ HN 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 24 ARG+ HN 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 25 LYS+ HN 1 24 ARG+ HD* 1.0 1.0 -2.0 6.00 ;
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
1 26 TYR HN 1 25 LYS+ HG* 1.0 1.0 -2.0 7.00 ;
1 26 TYR HN 1 27 GLY HA* 1.0 1.0 -2.0 6.00 ;
1 26 TYR HN 1 34 ILE HG1* 1.0 1.0 -2.0 6.00 ;
1 26 TYR HN 1 34 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 26 TYR HB* 1 34 ILE HG1* 1.0 1.0 -2.0 7.00 ;
1 26 TYR HB* 1 34 ILE HD* 1.0 1.0 -2.0 6.50 ;
1 26 TYR HD* 1 22 GLY HA1 1.0 1.0 -2.0 7.00 ;
1 26 TYR HD* 1 22 GLY HA2 1.0 1.0 -2.0 7.00 ;
1 26 TYR HD* 1 25 LYS+ HN 1.0 1.0 -2.0 7.00 ;
1 26 TYR HD* 1 25 LYS+ HA 1.0 1.0 -2.0 7.00 ;
1 26 TYR HD* 1 25 LYS+ HB* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HD* 1 25 LYS+ HG* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HD* 1 27 GLY HN 1.0 1.0 -2.0 7.00 ;
1 26 TYR HD* 1 33 LYS+ HB* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HD* 1 33 LYS+ HG* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HD* 1 34 ILE HA 1.0 1.0 -2.0 7.00 ;
1 26 TYR HD* 1 34 ILE HD* 1.0 1.0 -2.0 8.50 ;
1 26 TYR HD* 1 38 TYR HE* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HD* 1 38 TYR HD* 1.0 1.0 -2.0 9.00 ;
1 26 TYR HE* 1 22 GLY HA* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HE* 1 25 LYS+ HA 1.0 1.0 -2.0 6.00 ;
1 26 TYR HE* 1 25 LYS+ HB* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HE* 1 25 LYS+ HG* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HE* 1 33 LYS+ HG* 1.0 1.0 -2.0 9.00 ;
1 26 TYR HE* 1 34 ILE HA 1.0 1.0 -2.0 7.00 ;
1 26 TYR HE* 1 37 HIS HA 1.0 1.0 -2.0 8.00 ;
1 26 TYR HE* 1 37 HIS HB* 1.0 1.0 -2.0 8.00 ;
1 26 TYR HE* 1 38 TYR HD* 1.0 1.0 -2.0 9.00 ;
1 26 TYR HE* 1 38 TYR HE* 1.0 1.0 -2.0 9.00 ;
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
1 27 GLY HN 1 23 VAL HA 1.0 1.0 -2.0 5.00 ;
1 27 GLY HN 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 27 GLY HN 1 34 ILE HD* 1.0 1.0 -2.0 6.50 ;
1 28 GLU- HN 1 23 VAL HG1* 1.0 1.0 -2.0 5.50 ;
1 28 GLU- HN 1 23 VAL HG2* 1.0 1.0 -2.0 7.50 ;
1 28 GLU- HA 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 28 GLU- HA 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 30 ASN HN 1 34 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 30 ASN HD2* 1 26 TYR HB* 1.0 1.0 -2.0 7.00 ;
1 30 ASN HD2* 1 27 GLY HA* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HD1 1 45 SER HB* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HE1 1 29 GLY HN 1.0 1.0 -2.0 6.00 ;
1 31 TRP HE1 1 29 GLY HA* 1.0 1.0 -2.0 5.00 ;
1 31 TRP HE1 1 49 LYS+ HB* 1.0 1.0 -2.0 5.00 ;
1 31 TRP HE1 1 49 LYS+ HG* 1.0 1.0 -2.0 7.00 ;
1 31 TRP HZ2 1 28 GLU- HA 1.0 1.0 -2.0 5.00 ;
1 31 TRP HZ2 1 28 GLU- HB* 1.0 1.0 -2.0 7.00 ;
1 31 TRP HZ2 1 28 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HZ2 1 29 GLY HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HZ2 1 29 GLY HA* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HZ2 1 49 LYS+ HA 1.0 1.0 -2.0 5.00 ;
1 31 TRP HZ2 1 52 TRP HB* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HH2 1 19 LEU HD1* 1.0 1.0 -2.0 7.50 ;
1 31 TRP HH2 1 23 VAL HG1* 1.0 1.0 -2.0 7.50 ;
1 31 TRP HH2 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HH2 1 28 GLU- HA 1.0 1.0 -2.0 5.00 ;
1 31 TRP HH2 1 28 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HH2 1 29 GLY HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HH2 1 49 LYS+ HA 1.0 1.0 -2.0 5.00 ;
1 31 TRP HH2 1 52 TRP HN 1.0 1.0 -2.0 5.00 ;
1 31 TRP HH2 1 52 TRP HB* 1.0 1.0 -2.0 5.00 ;
1 31 TRP HZ3 1 19 LEU HD1* 1.0 1.0 -2.0 5.50 ;
1 31 TRP HZ3 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HZ3 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HZ3 1 23 VAL HG2* 1.0 1.0 -2.0 5.50 ;
1 31 TRP HZ3 1 28 GLU- HA 1.0 1.0 -2.0 5.00 ;
1 31 TRP HZ3 1 34 ILE HD* 1.0 1.0 -2.0 5.50 ;
1 31 TRP HZ3 1 49 LYS+ HA 1.0 1.0 -2.0 5.00 ;
1 31 TRP HZ3 1 52 TRP HB* 1.0 1.0 -2.0 6.00 ;
1 31 TRP HE3 1 19 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HE3 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HE3 1 34 ILE HB 1.0 1.0 -2.0 5.00 ;
1 31 TRP HE3 1 34 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HE3 1 34 ILE HD* 1.0 1.0 -2.0 5.50 ;
1 31 TRP HE3 1 48 LEU HB2 1.0 1.0 -2.0 5.00 ;
1 31 TRP HE3 1 48 LEU HB1 1.0 1.0 -2.0 5.00 ;
1 31 TRP HE3 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 31 TRP HE3 1 48 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 33 LYS+ HN 1 34 ILE HB 1.0 1.0 -2.0 5.00 ;
1 33 LYS+ HN 1 34 ILE HG1* 1.0 1.0 -2.0 6.00 ;
1 35 LEU HN 1 34 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 35 LEU HN 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 35 LEU HN 1 48 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 37 HIS HN 1 36 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 37 HIS HD2 1 33 LYS+ HA 1.0 1.0 -2.0 5.00 ;
1 37 HIS HD2 1 33 LYS+ HB* 1.0 1.0 -2.0 6.00 ;
1 37 HIS HD2 1 33 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 37 HIS HD2 1 34 ILE HA 1.0 1.0 -2.0 5.00 ;
1 37 HIS HD2 1 36 LEU HN 1.0 1.0 -2.0 5.00 ;
1 37 HIS HD2 1 36 LEU HB* 1.0 1.0 -2.0 6.00 ;
1 37 HIS HD2 1 36 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 37 HIS HE1 1 36 LEU HB* 1.0 1.0 -2.0 6.00 ;
1 37 HIS HE1 1 36 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 38 TYR HD* 1 18 ASN HA 1.0 1.0 -2.0 7.00 ;
1 38 TYR HD* 1 18 ASN HB* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HD* 1 18 ASN HD2* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HD* 1 21 SER HB* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HD* 1 22 GLY HA1 1.0 1.0 -2.0 7.00 ;
1 38 TYR HD* 1 22 GLY HA2 1.0 1.0 -2.0 8.00 ;
1 38 TYR HD* 1 34 ILE HA 1.0 1.0 -2.0 5.00 ;
1 38 TYR HD* 1 34 ILE HG1* 1.0 1.0 -2.0 8.50 ;
1 38 TYR HD* 1 34 ILE HG2* 1.0 1.0 -2.0 7.50 ;
1 38 TYR HD* 1 34 ILE HD* 1.0 1.0 -2.0 8.50 ;
1 38 TYR HD* 1 37 HIS HB* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 21 SER HA 1.0 1.0 -2.0 7.00 ;
1 38 TYR HE* 1 21 SER HB* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 22 GLY HN 1.0 1.0 -2.0 6.00 ;
1 38 TYR HE* 1 22 GLY HA1 1.0 1.0 -2.0 7.00 ;
1 38 TYR HE* 1 22 GLY HA2 1.0 1.0 -2.0 7.00 ;
1 38 TYR HE* 1 25 LYS+ HB* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 25 LYS+ HG* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 25 LYS+ HE* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 34 ILE HA 1.0 1.0 -2.0 7.00 ;
1 38 TYR HE* 1 34 ILE HG1* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 34 ILE HG2* 1.0 1.0 -2.0 7.50 ;
1 38 TYR HE* 1 34 ILE HD* 1.0 1.0 -2.0 8.00 ;
1 38 TYR HE* 1 37 HIS HB* 1.0 1.0 -2.0 8.00 ;
1 40 PHE HN 1 39 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 40 PHE HA 1 15 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 40 PHE HD* 1 15 GLU- HA 1.0 1.0 -2.0 6.00 ;
1 40 PHE HD* 1 15 GLU- HG* 1.0 1.0 -2.0 7.00 ;
1 40 PHE HD* 1 19 LEU HN 1.0 1.0 -2.0 7.00 ;
1 40 PHE HD* 1 35 LEU HA 1.0 1.0 -2.0 6.00 ;
1 40 PHE HD* 1 35 LEU HD* 1.0 1.0 -2.0 10.90 ;
1 40 PHE HD* 1 41 ASN HN 1.0 1.0 -2.0 6.00 ;
1 40 PHE HD* 1 43 ARG+ HN 1.0 1.0 -2.0 7.00 ;
1 40 PHE HD* 1 43 ARG+ HB* 1.0 1.0 -2.0 8.00 ;
1 40 PHE HD* 1 48 LEU HD1* 1.0 1.0 -2.0 8.50 ;
1 40 PHE HD* 1 48 LEU HD2* 1.0 1.0 -2.0 8.50 ;
1 40 PHE HE* 1 15 GLU- HA 1.0 1.0 -2.0 6.00 ;
1 40 PHE HE* 1 18 ASN HB* 1.0 1.0 -2.0 7.00 ;
1 40 PHE HE* 1 19 LEU HB2 1.0 1.0 -2.0 6.00 ;
1 40 PHE HE* 1 19 LEU HB1 1.0 1.0 -2.0 6.00 ;
1 40 PHE HE* 1 19 LEU HD1* 1.0 1.0 -2.0 7.50 ;
1 40 PHE HE* 1 19 LEU HD2* 1.0 1.0 -2.0 8.50 ;
1 40 PHE HE* 1 34 ILE HG2* 1.0 1.0 -2.0 7.50 ;
1 40 PHE HE* 1 35 LEU HA 1.0 1.0 -2.0 6.00 ;
1 40 PHE HE* 1 35 LEU HD* 1.0 1.0 -2.0 10.90 ;
1 40 PHE HE* 1 38 TYR HA 1.0 1.0 -2.0 7.00 ;
1 40 PHE HE* 1 38 TYR HB* 1.0 1.0 -2.0 7.00 ;
1 40 PHE HE* 1 38 TYR HD* 1.0 1.0 -2.0 9.00 ;
1 40 PHE HE* 1 48 LEU HD1* 1.0 1.0 -2.0 8.50 ;
1 40 PHE HE* 1 48 LEU HD2* 1.0 1.0 -2.0 7.50 ;
1 40 PHE HZ 1 18 ASN HB* 1.0 1.0 -2.0 6.00 ;
1 40 PHE HZ 1 19 LEU HN 1.0 1.0 -2.0 4.00 ;
1 40 PHE HZ 1 19 LEU HA 1.0 1.0 -2.0 3.00 ;
1 40 PHE HZ 1 19 LEU HB2 1.0 1.0 -2.0 5.00 ;
1 40 PHE HZ 1 19 LEU HB1 1.0 1.0 -2.0 5.00 ;
1 40 PHE HZ 1 19 LEU HG 1.0 1.0 -2.0 5.00 ;
1 40 PHE HZ 1 19 LEU HD1* 1.0 1.0 -2.0 5.00 ;
1 40 PHE HZ 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 40 PHE HZ 1 34 ILE HG2* 1.0 1.0 -2.0 5.00 ;
1 40 PHE HZ 1 38 TYR HB* 1.0 1.0 -2.0 6.00 ;
1 40 PHE HZ 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 40 PHE HZ 1 48 LEU HD2* 1.0 1.0 -2.0 7.50 ;
1 41 ASN HN 1 15 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 41 ASN HN 1 43 ARG+ HG* 1.0 1.0 -2.0 6.00 ;
1 41 ASN HD2* 1 9 GLN HB* 1.0 1.0 -2.0 7.00 ;
1 41 ASN HD2* 1 12 LEU HD* 1.0 1.0 -2.0 9.90 ;
1 43 ARG+ HN 1 35 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 43 ARG+ HN 1 40 PHE HB2 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HN 1 40 PHE HB1 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HN 1 47 MET HB* 1.0 1.0 -2.0 6.00 ;
1 43 ARG+ HN 1 47 MET HG* 1.0 1.0 -2.0 6.00 ;
1 43 ARG+ HN 1 48 LEU HD2* 1.0 1.0 -2.0 7.50 ;
1 43 ARG+ HA 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 43 ARG+ HE 1 11 TRP HA 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HE 1 11 TRP HH2 1.0 1.0 -2.0 6.00 ;
1 43 ARG+ HE 1 11 TRP HZ2 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HE 1 11 TRP HZ3 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HE 1 40 PHE HB1 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HE 1 40 PHE HB2 1.0 1.0 -2.0 5.00 ;
1 43 ARG+ HE 1 41 ASN HB* 1.0 1.0 -2.0 6.00 ;
1 43 ARG+ HE 1 41 ASN HN 1.0 1.0 -2.0 5.00 ;
1 44 THR HN 1 43 ARG+ HD* 1.0 1.0 -2.0 5.00 ;
1 44 THR HN 1 47 MET HB* 1.0 1.0 -2.0 5.00 ;
1 44 THR HN 1 47 MET HG* 1.0 1.0 -2.0 5.00 ;
1 44 THR HA 1 35 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 44 THR HA 1 45 SER HA 1.0 1.0 -2.0 5.00 ;
1 44 THR HA 1 45 SER HB* 1.0 1.0 -2.0 6.00 ;
1 45 SER HN 1 35 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 45 SER HN 1 44 THR HG2* 1.0 1.0 -2.0 5.50 ;
1 46 VAL HN 1 44 THR HG2* 1.0 1.0 -2.0 6.50 ;
1 47 MET HN 1 44 THR HG2* 1.0 1.0 -2.0 6.50 ;
1 47 MET HN 1 46 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 47 MET HN 1 46 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 47 MET HE* 1 44 THR HG2* 1.0 1.0 -2.0 8.00 ;
1 48 LEU HN 1 47 MET HG* 1.0 1.0 -2.0 5.00 ;
1 48 LEU HD1* 1 19 LEU HD1* 1.0 1.0 -2.0 8.00 ;
1 48 LEU HD1* 1 19 LEU HD2* 1.0 1.0 -2.0 9.00 ;
1 48 LEU HD1* 1 34 ILE HB 1.0 1.0 -2.0 6.50 ;
1 48 LEU HD1* 1 34 ILE HG2* 1.0 1.0 -2.0 8.00 ;
1 48 LEU HD1* 1 35 LEU HA 1.0 1.0 -2.0 6.50 ;
1 48 LEU HD1* 1 35 LEU HD* 1.0 1.0 -2.0 10.40 ;
1 48 LEU HD2* 1 19 LEU HD1* 1.0 1.0 -2.0 8.00 ;
1 48 LEU HD2* 1 19 LEU HD2* 1.0 1.0 -2.0 9.00 ;
1 48 LEU HD2* 1 31 TRP HB2 1.0 1.0 -2.0 6.50 ;
1 48 LEU HD2* 1 31 TRP HB1 1.0 1.0 -2.0 7.50 ;
1 48 LEU HD2* 1 34 ILE HB 1.0 1.0 -2.0 6.50 ;
1 48 LEU HD2* 1 34 ILE HG2* 1.0 1.0 -2.0 8.00 ;
1 48 LEU HD2* 1 35 LEU HD* 1.0 1.0 -2.0 10.40 ;
1 48 LEU HD2* 1 35 LEU HA 1.0 1.0 -2.0 7.50 ;
1 49 LYS+ HN 1 48 LEU HG 1.0 1.0 -2.0 5.00 ;
1 49 LYS+ HN 1 48 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 49 LYS+ HN 1 48 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 50 ASP- HN 1 49 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 50 ASP- HN 1 49 LYS+ HE* 1.0 1.0 -2.0 6.00 ;
1 51 ARG+ HE 1 11 TRP HA 1.0 1.0 -2.0 6.00 ;
1 51 ARG+ HE 1 11 TRP HB2 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HE 1 11 TRP HB1 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HE 1 11 TRP HZ3 1.0 1.0 -2.0 6.00 ;
1 51 ARG+ HE 1 11 TRP HE3 1.0 1.0 -2.0 5.00 ;
1 51 ARG+ HE 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HN 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HN 1 51 ARG+ HG* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HB* 1 19 LEU HD1* 1.0 1.0 -2.0 7.50 ;
1 52 TRP HB* 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HD1 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HD1 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HD1 1 28 GLU- HA 1.0 1.0 -2.0 6.00 ;
1 52 TRP HD1 1 28 GLU- HB* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HD1 1 28 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HD1 1 31 TRP HZ2 1.0 1.0 -2.0 5.00 ;
1 52 TRP HD1 1 31 TRP HZ3 1.0 1.0 -2.0 5.00 ;
1 52 TRP HD1 1 31 TRP HH2 1.0 1.0 -2.0 5.00 ;
1 52 TRP HD1 1 53 ARG+ HA 1.0 1.0 -2.0 5.00 ;
1 52 TRP HD1 1 56 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HD1 1 56 LYS+ HD* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HE1 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HE1 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HE1 1 28 GLU- HB* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HE1 1 28 GLU- HG* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HE1 1 31 TRP HZ2 1.0 1.0 -2.0 6.00 ;
1 52 TRP HE1 1 31 TRP HH2 1.0 1.0 -2.0 5.00 ;
1 52 TRP HE1 1 56 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HE1 1 56 LYS+ HD* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HE1 1 56 LYS+ HE* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HZ2 1 20 ARG+ HA 1.0 1.0 -2.0 6.00 ;
1 52 TRP HZ2 1 23 VAL HB 1.0 1.0 -2.0 5.00 ;
1 52 TRP HZ2 1 23 VAL HG1* 1.0 1.0 -2.0 5.50 ;
1 52 TRP HZ2 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HZ2 1 61 ILE HB 1.0 1.0 -2.0 5.00 ;
1 52 TRP HZ2 1 61 ILE HD* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HZ2 1 61 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HH2 1 20 ARG+ HA 1.0 1.0 -2.0 5.00 ;
1 52 TRP HH2 1 20 ARG+ HB* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HH2 1 20 ARG+ HG* 1.0 1.0 -2.0 6.00 ;
1 52 TRP HH2 1 20 ARG+ HD* 1.0 1.0 -2.0 7.00 ;
1 52 TRP HH2 1 23 VAL HB 1.0 1.0 -2.0 5.00 ;
1 52 TRP HH2 1 23 VAL HG1* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HH2 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HH2 1 61 ILE HB 1.0 1.0 -2.0 5.00 ;
1 52 TRP HH2 1 61 ILE HD* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HH2 1 61 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HZ3 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HZ3 1 20 ARG+ HA 1.0 1.0 -2.0 5.00 ;
1 52 TRP HZ3 1 20 ARG+ HB* 1.0 1.0 -2.0 5.00 ;
1 52 TRP HZ3 1 20 ARG+ HG* 1.0 1.0 -2.0 5.00 ;
1 52 TRP HZ3 1 20 ARG+ HD* 1.0 1.0 -2.0 7.00 ;
1 52 TRP HZ3 1 55 MET HE* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HZ3 1 61 ILE HD* 1.0 1.0 -2.0 7.50 ;
1 52 TRP HZ3 1 61 ILE HG2* 1.0 1.0 -2.0 7.50 ;
1 52 TRP HE3 1 19 LEU HG 1.0 1.0 -2.0 5.00 ;
1 52 TRP HE3 1 19 LEU HD1* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HE3 1 19 LEU HD2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HE3 1 23 VAL HG2* 1.0 1.0 -2.0 6.50 ;
1 52 TRP HE3 1 55 MET HE* 1.0 1.0 -2.0 6.50 ;
1 53 ARG+ HE 1 50 ASP- HA 1.0 1.0 -2.0 4.00 ;
1 55 MET HN 1 54 THR HG2* 1.0 1.0 -2.0 6.50 ;
1 55 MET HE* 1 60 LEU HA 1.0 1.0 -2.0 6.50 ;
1 56 LYS+ HN 1 55 MET HG* 1.0 1.0 -2.0 6.00 ;
1 56 LYS+ HN 1 61 ILE HG2* 1.0 1.0 -2.0 7.50 ;
1 56 LYS+ HN 1 61 ILE HD* 1.0 1.0 -2.0 7.50 ;
1 56 LYS+ HA 1 60 LEU HA 1.0 1.0 -2.0 5.00 ;
1 56 LYS+ HA 1 61 ILE HG2* 1.0 1.0 -2.0 6.50 ;
1 56 LYS+ HA 1 61 ILE HD* 1.0 1.0 -2.0 6.50 ;
1 57 LYS+ HN 1 56 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 57 LYS+ HN 1 56 LYS+ HE* 1.0 1.0 -2.0 6.00 ;
1 58 LEU HN 1 57 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 59 LYS+ HN 1 58 LEU HG 1.0 1.0 -2.0 5.00 ;
1 59 LYS+ HN 1 58 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 60 LEU HN 1 59 LYS+ HG* 1.0 1.0 -2.0 6.00 ;
1 60 LEU HN 1 55 MET HA 1.0 1.0 -2.0 6.00 ;
1 60 LEU HN 1 61 ILE HG1* 1.0 1.0 -2.0 6.00 ;
1 60 LEU HN 1 61 ILE HD1* 1.0 1.0 -2.0 6.50 ;
1 61 ILE HN 1 56 LYS+ HA 1.0 1.0 -2.0 6.00 ;
1 61 ILE HN 1 60 LEU HG 1.0 1.0 -2.0 5.00 ;
1 61 ILE HN 1 60 LEU HD* 1.0 1.0 -2.0 8.90 ;
1 62 SER HN 1 61 ILE HD* 1.0 1.0 -2.0 6.50 ;
1 62 SER HN 1 61 ILE HG1* 1.0 1.0 -2.0 6.50 ;
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