NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10467 |
1psb   |
5838 | cing | 1-original | 2 | unknown | distance | NOE | simple |
## (S100B) CHAIN A INTRAMOLECULAR DISTANCE RESTRAINTS 1 SER A HB3 1 SER A HA 4.50 1 SER A HB3 1 SER A HB2 4.50 2 GLU A HN 1 SER A HA 3.50 2 GLU A HN 1 SER A HB2 3.70 2 GLU A HN 2 GLU A HA 3.70 2 GLU A HN 2 GLU A HB2 3.50 2 GLU A HN 2 GLU A QG 4.70 2 GLU A HN 3 LEU A HG 6.00 2 GLU A QG 3 LEU A QD2 6.50 3 LEU A HA 3 LEU A HB2 3.50 3 LEU A HA 3 LEU A HG 5.00 3 LEU A HA 3 LEU A QD1 5.50 3 LEU A HA 3 LEU A QD2 5.50 3 LEU A HA 4 GLU A HN 4.00 3 LEU A HB3 3 LEU A HA 4.50 3 LEU A HB3 3 LEU A HB2 4.50 3 LEU A HB3 3 LEU A QD1 7.00 3 LEU A HG 3 LEU A QD1 5.50 3 LEU A HG 4 GLU A HN 4.50 3 LEU A HN 1 SER A HB2 6.00 3 LEU A HN 2 GLU A HN 6.00 3 LEU A HN 3 LEU A HA 3.70 3 LEU A HN 3 LEU A HB2 4.50 3 LEU A HN 3 LEU A HG 3.70 3 LEU A HN 3 LEU A QD1 7.00 3 LEU A HN 4 GLU A HN 4.50 3 LEU A QD2 3 LEU A HG 6.00 4 GLU A HN 1 SER A HB3 6.00 4 GLU A HN 2 GLU A HN 6.00 4 GLU A HN 3 LEU A QD1 7.00 4 GLU A HN 4 GLU A HA 3.70 4 GLU A HN 4 GLU A QB 4.70 4 GLU A HN 4 GLU A QG 5.50 5 LYS A HA 5 LYS A HN 4.50 5 LYS A HA 5 LYS A QD 6.00 5 LYS A HA 8 VAL A HN 4.50 5 LYS A HN 4 GLU A HA 4.50 5 LYS A HN 4 GLU A HN 4.50 5 LYS A HN 5 LYS A QB 7.00 5 LYS A HN 5 LYS A QE 7.00 5 LYS A QD 5 LYS A HN 5.50 5 LYS A QD 5 LYS A QE 6.50 5 LYS A QD 8 VAL A QG2 6.50 5 LYS A QE 5 LYS A HA 5.50 5 LYS A QE 8 VAL A QG2 6.50 6 ALA A HA 6 ALA A HN 4.00 6 ALA A HA 9 ALA A HN 4.50 6 ALA A HA 10 LEU A HN 4.50 6 ALA A HN 5 LYS A HN 3.70 6 ALA A QB 5 LYS A HN 5.00 6 ALA A QB 6 ALA A HA 4.00 6 ALA A QB 6 ALA A HN 4.50 6 ALA A QB 7 VAL A HN 5.00 7 VAL A HA 8 VAL A HN 4.50 7 VAL A HA 10 LEU A QB 5.50 7 VAL A HB 7 VAL A QG1 6.00 7 VAL A HB 7 VAL A QG2 6.00 7 VAL A HN 4 GLU A HA 3.70 7 VAL A HN 5 LYS A HN 4.50 7 VAL A HN 7 VAL A HA 3.70 7 VAL A HN 7 VAL A HB 3.70 7 VAL A QG1 4 GLU A HA 5.50 7 VAL A QG1 5 LYS A HN 7.00 7 VAL A QG1 7 VAL A HN 5.50 7 VAL A QG1 8 VAL A HA 6.00 7 VAL A QG1 10 LEU A HN 7.00 7 VAL A QG2 7 VAL A HA 6.00 8 VAL A HA 8 VAL A QG2 5.00 8 VAL A HN 5 LYS A QD 5.50 8 VAL A HN 7 VAL A HB 3.70 8 VAL A HN 7 VAL A HN 3.50 8 VAL A HN 8 VAL A HA 3.70 8 VAL A HN 8 VAL A HB 3.70 8 VAL A HN 8 VAL A QG2 5.50 8 VAL A HN 12 ASP A QB 7.00 8 VAL A QG1 8 VAL A HA 5.50 8 VAL A QG1 8 VAL A HB 5.50 8 VAL A QG1 8 VAL A HN 5.50 8 VAL A QG1 9 ALA A HN 7.00 8 VAL A QG2 8 VAL A HB 5.00 9 ALA A HA 9 ALA A HN 4.50 9 ALA A HA 9 ALA A QB 5.00 9 ALA A HA 12 ASP A HN 4.50 9 ALA A HA 12 ASP A QB 5.50 9 ALA A HN 8 VAL A HA 6.00 9 ALA A HN 8 VAL A HB 4.50 9 ALA A HN 8 VAL A HN 4.50 9 ALA A HN 8 VAL A QG2 7.00 9 ALA A HN 10 LEU A HN 6.00 9 ALA A HN 12 ASP A HN 6.00 9 ALA A QB 6 ALA A HA 5.50 9 ALA A QB 6 ALA A HN 6.50 9 ALA A QB 9 ALA A HN 5.00 9 ALA A QB 10 LEU A QB 6.50 9 ALA A QB 10 LEU A QD1 7.50 9 ALA A QB 12 ASP A QB 7.50 9 ALA A QB 13 VAL A HB 5.50 10 LEU A HA 10 LEU A QD2 5.50 10 LEU A HG 10 LEU A HN 4.50 10 LEU A HG 10 LEU A QD2 5.50 10 LEU A HN 7 VAL A HA 4.50 10 LEU A HN 9 ALA A QB 5.50 10 LEU A HN 10 LEU A HA 3.70 10 LEU A HN 10 LEU A QD1 5.00 10 LEU A HN 10 LEU A QD2 5.00 10 LEU A HN 70 PHE A HZ 6.00 10 LEU A QB 10 LEU A HN 5.50 10 LEU A QB 10 LEU A QD1 8.00 10 LEU A QD1 7 VAL A HA 6.00 10 LEU A QD1 10 LEU A HA 5.50 10 LEU A QD1 10 LEU A HG 6.00 10 LEU A QD1 73 PHE A HZ 5.50 10 LEU A QD1 74 MET A QG 7.00 11 ILE A HA 11 ILE A HN 4.50 11 ILE A HA 12 ASP A HN 4.50 11 ILE A HN 10 LEU A HA 6.00 11 ILE A HN 10 LEU A HN 4.50 11 ILE A HN 10 LEU A QB 7.00 11 ILE A HN 11 ILE A HB 4.50 11 ILE A HN 14 PHE A HB3 6.00 11 ILE A HN 70 PHE A HZ 4.50 11 ILE A QG2 8 VAL A HA 6.00 11 ILE A QG2 11 ILE A HA 6.00 11 ILE A QG2 11 ILE A HB 5.50 11 ILE A QG2 11 ILE A HN 7.00 11 ILE A QG2 12 ASP A HA 7.00 11 ILE A QG2 12 ASP A HN 7.00 11 ILE A QG2 70 PHE A HZ 7.00 12 ASP A HA 12 ASP A QB 5.00 12 ASP A HN 11 ILE A HB 6.00 12 ASP A HN 11 ILE A HN 6.00 12 ASP A HN 12 ASP A HA 4.50 12 ASP A QB 12 ASP A HN 5.50 13 VAL A HA 13 VAL A HN 4.50 13 VAL A HB 12 ASP A QB 5.50 13 VAL A HB 13 VAL A HA 4.00 13 VAL A HB 13 VAL A HN 3.50 13 VAL A HB 13 VAL A QG2 5.00 13 VAL A HB 73 PHE A HZ 4.50 13 VAL A HN 11 ILE A HN 4.50 13 VAL A HN 12 ASP A QB 5.50 13 VAL A QG1 13 VAL A HB 5.50 13 VAL A QG1 13 VAL A HN 5.50 13 VAL A QG1 14 PHE A HN 5.50 13 VAL A QG1 35 LEU A QD2 6.50 13 VAL A QG2 13 VAL A HA 5.00 14 PHE A HA 14 PHE A HN 5.00 14 PHE A HB2 10 LEU A HA 4.50 14 PHE A HB3 15 HIS A HA 4.50 14 PHE A HN 13 VAL A HA 6.00 14 PHE A HN 13 VAL A HB 3.70 14 PHE A HN 13 VAL A HN 4.50 14 PHE A HN 13 VAL A QG2 7.00 14 PHE A HN 14 PHE A HB2 3.70 14 PHE A HN 14 PHE A HB3 3.70 14 PHE A HN 14 PHE A QD 6.00 14 PHE A HN 35 LEU A QD2 7.00 14 PHE A HZ 69 ASP A HA 6.00 14 PHE A HZ 70 PHE A HA 6.00 14 PHE A QD 14 PHE A QE 6.00 14 PHE A QD 27 LEU A HG 6.00 14 PHE A QE 25 HIS A HA 6.00 14 PHE A QE 27 LEU A HG 6.00 14 PHE A QE 73 PHE A HB2 6.00 15 HIS A HN 11 ILE A HA 4.50 15 HIS A HN 11 ILE A HB 6.00 15 HIS A HN 14 PHE A HB3 6.00 15 HIS A HN 14 PHE A HN 6.00 15 HIS A HN 15 HIS A HA 6.00 15 HIS A HN 15 HIS A QB 5.50 15 HIS A HN 16 GLN A HN 6.00 15 HIS A QB 11 ILE A QG2 8.00 16 GLN A HN 15 HIS A QB 7.00 16 GLN A HN 16 GLN A HA 3.50 16 GLN A HN 16 GLN A QB 6.00 16 GLN A QB 13 VAL A HA 6.00 16 GLN A QB 16 GLN A HA 6.00 16 GLN A QB 16 GLN A QE2 6.50 16 GLN A QG 16 GLN A HA 5.50 16 GLN A QG 16 GLN A HN 5.50 16 GLN A QG 16 GLN A QB 5.50 16 GLN A QG 16 GLN A QE2 7.00 16 GLN A QG 17 TYR A HN 6.00 17 TYR A HA 17 TYR A HN 4.50 17 TYR A HA 20 ARG A HG2 5.00 17 TYR A HA 20 ARG A QD 7.00 17 TYR A HN 13 VAL A QG2 7.00 17 TYR A HN 16 GLN A HN 3.70 17 TYR A HN 16 GLN A QB 4.70 17 TYR A HN 17 TYR A HB2 3.70 17 TYR A HN 19 GLY A HN 6.00 17 TYR A HN 27 LEU A QD2 7.00 17 TYR A HN 35 LEU A QD2 7.00 17 TYR A QD 13 VAL A QG1 7.00 17 TYR A QD 16 GLN A QG 7.00 17 TYR A QD 17 TYR A HA 6.00 17 TYR A QD 17 TYR A HB2 6.00 17 TYR A QD 27 LEU A QD2 7.00 17 TYR A QD 35 LEU A HA 6.00 17 TYR A QD 35 LEU A QD2 7.00 17 TYR A QE 13 VAL A HA 6.00 17 TYR A QE 13 VAL A QG1 7.00 17 TYR A QE 16 GLN A QG 7.00 17 TYR A QE 17 TYR A QD 6.00 17 TYR A QE 34 GLU A QG 7.00 17 TYR A QE 35 LEU A HB3 6.00 17 TYR A QE 35 LEU A QD1 7.00 17 TYR A QE 35 LEU A QD2 7.00 17 TYR A QE 38 ASN A HB2 6.00 18 SER A HA 19 GLY A HN 4.50 18 SER A HN 15 HIS A HA 6.00 18 SER A HN 17 TYR A HA 6.00 18 SER A HN 17 TYR A HN 4.50 18 SER A HN 18 SER A HA 6.00 18 SER A HN 18 SER A QB 4.50 18 SER A HN 19 GLY A HN 6.00 18 SER A HN 27 LEU A QD2 7.00 18 SER A HN 35 LEU A QD2 7.00 19 GLY A HA1 19 GLY A HN 4.50 19 GLY A HA2 19 GLY A HN 4.50 19 GLY A HN 20 ARG A HG2 4.50 19 GLY A HN 20 ARG A HG3 4.50 19 GLY A HN 20 ARG A HN 4.50 20 ARG A HA 20 ARG A HN 4.50 20 ARG A HA 20 ARG A QB 4.50 20 ARG A HA 20 ARG A QD 5.50 20 ARG A HA 20 ARG A QG 5.50 20 ARG A HG2 20 ARG A QD 4.50 20 ARG A HN 19 GLY A HA1 4.50 20 ARG A HN 20 ARG A HG2 3.70 20 ARG A HN 20 ARG A QD 7.00 20 ARG A HN 31 GLU A HG3 4.50 20 ARG A QB 20 ARG A HN 6.00 20 ARG A QD 20 ARG A HG3 6.00 20 ARG A QD 20 ARG A QB 7.00 21 GLU A HB2 21 GLU A HA 4.00 21 GLU A HG2 21 GLU A HA 4.00 21 GLU A HG2 21 GLU A HN 4.50 21 GLU A HG3 21 GLU A HA 4.50 21 GLU A HG3 21 GLU A HN 4.50 21 GLU A HN 20 ARG A HA 3.70 21 GLU A HN 20 ARG A HN 3.50 21 GLU A HN 20 ARG A QB 6.00 21 GLU A HN 20 ARG A QD 7.00 21 GLU A HN 21 GLU A HA 3.50 21 GLU A HN 21 GLU A HB2 5.00 23 ASP A HA 23 ASP A QB 4.50 23 ASP A HA 25 HIS A HN 4.50 24 LYS A HA 19 GLY A HA1 3.50 25 HIS A HA 25 HIS A HB2 4.50 25 HIS A HA 26 LYS A HN 5.00 25 HIS A HA 70 PHE A HB3 4.50 25 HIS A HN 24 LYS A HA 6.00 25 HIS A HN 25 HIS A HB2 4.50 25 HIS A HN 26 LYS A HN 4.50 25 HIS A HN 26 LYS A QG 7.00 26 LYS A HA 26 LYS A HN 5.00 26 LYS A HA 26 LYS A QB 5.50 26 LYS A HA 27 LEU A HN 4.50 26 LYS A HN 18 SER A HA 4.50 26 LYS A HN 25 HIS A HB2 4.50 26 LYS A HN 25 HIS A HB3 4.50 26 LYS A HN 26 LYS A QB 7.00 26 LYS A HN 26 LYS A QG 5.50 26 LYS A QE 26 LYS A QB 5.50 26 LYS A QE 67 GLU A QG 6.50 26 LYS A QG 26 LYS A QB 6.50 27 LEU A HA 27 LEU A HN 4.50 27 LEU A HN 14 PHE A HZ 6.00 27 LEU A HN 26 LYS A HN 6.00 27 LEU A HN 26 LYS A QB 7.00 27 LEU A HN 27 LEU A HB2 4.50 27 LEU A HN 27 LEU A HG 3.70 27 LEU A QD1 27 LEU A HA 7.00 27 LEU A QD1 27 LEU A HB3 5.50 27 LEU A QD1 27 LEU A HN 7.00 27 LEU A QD1 73 PHE A HB3 7.00 27 LEU A QD1 73 PHE A QD 7.00 27 LEU A QD2 14 PHE A QE 7.00 27 LEU A QD2 18 SER A HA 7.00 27 LEU A QD2 27 LEU A HA 7.00 27 LEU A QD2 27 LEU A QD1 6.50 27 LEU A QD2 35 LEU A HB2 7.00 28 LYS A HA 28 LYS A QB 5.00 28 LYS A HN 27 LEU A HA 3.70 28 LYS A HN 27 LEU A QD2 7.00 28 LYS A HN 28 LYS A HA 4.50 28 LYS A HN 28 LYS A QB 6.00 28 LYS A HN 28 LYS A QG 7.00 28 LYS A HN 31 GLU A HG2 4.50 28 LYS A HN 31 GLU A HN 6.00 28 LYS A HN 32 LEU A HB2 6.00 28 LYS A QD 28 LYS A HN 5.50 28 LYS A QD 28 LYS A QB 6.00 28 LYS A QD 28 LYS A QE 6.50 28 LYS A QD 67 GLU A HA 5.50 28 LYS A QE 28 LYS A QG 6.00 29 LYS A HA 32 LEU A HB3 3.50 31 GLU A HA 31 GLU A HG2 3.50 31 GLU A HG3 21 GLU A HA 4.50 31 GLU A HN 21 GLU A HN 6.00 31 GLU A HN 27 LEU A QD1 7.00 31 GLU A HN 27 LEU A QD2 7.00 31 GLU A HN 28 LYS A QG 4.70 31 GLU A HN 30 SER A HA 4.50 31 GLU A HN 31 GLU A HA 3.70 31 GLU A HN 31 GLU A HG2 3.50 31 GLU A HN 31 GLU A HG3 3.70 31 GLU A HN 31 GLU A QB 4.70 31 GLU A HN 32 LEU A HB2 6.00 31 GLU A QB 28 LYS A HN 7.00 32 LEU A HA 27 LEU A QD1 5.50 32 LEU A HA 32 LEU A HB3 5.00 32 LEU A HA 32 LEU A HN 5.00 32 LEU A HA 33 LYS A HN 5.00 32 LEU A HB2 32 LEU A QD1 5.50 32 LEU A HB2 57 MET A QE 6.50 32 LEU A HB3 32 LEU A HB2 4.50 32 LEU A HB3 32 LEU A HN 4.50 32 LEU A HG 68 CYS A HB2 4.00 32 LEU A HN 27 LEU A HA 6.00 32 LEU A HN 27 LEU A QD1 5.50 32 LEU A HN 27 LEU A QD2 7.00 32 LEU A HN 28 LYS A HN 6.00 32 LEU A HN 31 GLU A HN 3.70 32 LEU A HN 31 GLU A QB 5.50 32 LEU A HN 32 LEU A HB2 3.70 32 LEU A QD1 32 LEU A HA 7.00 32 LEU A QD1 32 LEU A HB3 5.50 32 LEU A QD1 32 LEU A HG 5.50 32 LEU A QD1 32 LEU A HN 5.50 32 LEU A QD1 57 MET A QG 8.00 32 LEU A QD2 32 LEU A HA 5.50 32 LEU A QD2 32 LEU A HB3 5.50 32 LEU A QD2 32 LEU A HG 5.50 32 LEU A QD2 32 LEU A HN 5.50 33 LYS A HA 33 LYS A HB3 5.00 33 LYS A HA 33 LYS A QG 5.00 33 LYS A HA 34 GLU A HN 4.50 33 LYS A HA 36 ILE A HB 5.00 33 LYS A HA 36 ILE A HN 5.00 33 LYS A HA 37 ASN A HN 5.00 33 LYS A HA 47 ILE A QD1 5.50 33 LYS A HB3 29 LYS A HA 5.00 33 LYS A HN 31 GLU A HN 6.00 33 LYS A HN 32 LEU A QD1 7.00 33 LYS A HN 33 LYS A HA 3.50 33 LYS A HN 33 LYS A HB3 3.50 33 LYS A HN 33 LYS A QD 7.00 33 LYS A HN 33 LYS A QG 4.70 33 LYS A HN 53 VAL A QG2 7.00 33 LYS A QE 33 LYS A QD 5.50 33 LYS A QE 37 ASN A HD21 5.50 33 LYS A QE 37 ASN A HD22 5.50 33 LYS A QE 53 VAL A QG2 6.50 33 LYS A QG 33 LYS A QD 7.00 34 GLU A HA 34 GLU A HN 4.00 34 GLU A HA 37 ASN A HB2 3.50 34 GLU A HA 38 ASN A QD2 6.50 34 GLU A HN 33 LYS A HB3 3.70 34 GLU A HN 33 LYS A HN 3.70 34 GLU A HN 33 LYS A QD 7.00 34 GLU A HN 33 LYS A QG 5.50 34 GLU A HN 34 GLU A QB 4.70 34 GLU A HN 35 LEU A HB3 4.50 34 GLU A QB 34 GLU A HA 6.00 34 GLU A QG 17 TYR A QD 7.00 34 GLU A QG 34 GLU A HA 5.00 34 GLU A QG 34 GLU A HN 4.50 34 GLU A QG 35 LEU A HB2 5.00 35 LEU A HA 34 GLU A QG 5.00 35 LEU A HA 35 LEU A HN 4.50 35 LEU A HA 35 LEU A QD2 7.00 35 LEU A HA 36 ILE A HN 4.50 35 LEU A HB2 17 TYR A HB2 4.50 35 LEU A HB2 17 TYR A HB3 3.50 35 LEU A HB2 35 LEU A QD1 5.50 35 LEU A HB3 32 LEU A HA 4.50 35 LEU A HB3 35 LEU A HA 4.50 35 LEU A HB3 35 LEU A HN 4.50 35 LEU A HG 27 LEU A QD2 5.50 35 LEU A HN 17 TYR A QE 6.00 35 LEU A HN 34 GLU A HA 3.70 35 LEU A HN 34 GLU A HN 3.70 35 LEU A HN 34 GLU A QB 5.50 35 LEU A QD1 27 LEU A QD2 8.00 35 LEU A QD2 13 VAL A QG2 8.00 35 LEU A QD2 14 PHE A HA 7.00 35 LEU A QD2 35 LEU A HB2 7.00 35 LEU A QD2 35 LEU A HB3 6.00 35 LEU A QD2 35 LEU A HG 6.00 35 LEU A QD2 35 LEU A HN 7.00 35 LEU A QD2 36 ILE A HA 7.00 36 ILE A HA 35 LEU A QD1 5.50 36 ILE A HA 36 ILE A HN 4.50 36 ILE A HA 36 ILE A QG1 5.50 36 ILE A HB 36 ILE A HN 3.50 36 ILE A HN 32 LEU A HA 4.50 36 ILE A HN 35 LEU A HB3 3.50 36 ILE A HN 35 LEU A HN 3.70 36 ILE A HN 37 ASN A HD22 5.00 36 ILE A QD1 32 LEU A HG 5.50 36 ILE A QD1 36 ILE A HA 7.00 36 ILE A QD1 36 ILE A HB 5.50 36 ILE A QD1 36 ILE A HN 6.00 36 ILE A QD1 76 PHE A HB3 7.00 36 ILE A QG1 36 ILE A QG2 6.50 36 ILE A QG2 36 ILE A HA 5.50 36 ILE A QG2 36 ILE A HB 5.00 36 ILE A QG2 37 ASN A HN 5.50 36 ILE A QG2 41 SER A HA 7.00 36 ILE A QG2 76 PHE A HZ 7.00 37 ASN A HA 37 ASN A HN 3.50 37 ASN A HB2 37 ASN A HA 3.50 37 ASN A HB3 37 ASN A HA 3.50 37 ASN A HB3 37 ASN A HB2 3.50 37 ASN A HB3 37 ASN A HN 4.50 37 ASN A HD21 34 GLU A HA 4.50 37 ASN A HD21 37 ASN A HB2 5.00 37 ASN A HD21 37 ASN A HB3 5.00 37 ASN A HD21 47 ILE A HG12 4.50 37 ASN A HD21 47 ILE A QD1 7.00 37 ASN A HD22 34 GLU A HA 6.00 37 ASN A HD22 37 ASN A HB2 5.00 37 ASN A HD22 37 ASN A HB3 5.00 37 ASN A HD22 37 ASN A HD21 3.50 37 ASN A HD22 47 ILE A HG12 6.00 37 ASN A HD22 47 ILE A QD1 7.00 37 ASN A HN 34 GLU A HA 3.70 37 ASN A HN 36 ILE A HA 6.00 37 ASN A HN 36 ILE A HB 3.50 37 ASN A HN 36 ILE A QD1 7.00 37 ASN A HN 37 ASN A HB2 3.50 37 ASN A HN 37 ASN A HD21 4.50 37 ASN A HN 37 ASN A HD22 4.50 37 ASN A HN 47 ILE A HG12 6.00 38 ASN A HA 38 ASN A HB3 3.50 38 ASN A HA 38 ASN A HN 4.00 38 ASN A HA 39 GLU A HN 4.50 38 ASN A HB2 34 GLU A QB 5.50 38 ASN A HB2 38 ASN A HA 4.50 38 ASN A HB2 38 ASN A HB3 4.00 38 ASN A HB3 39 GLU A HN 4.50 38 ASN A HN 34 GLU A HA 6.00 38 ASN A HN 37 ASN A HA 3.70 38 ASN A HN 37 ASN A HN 3.50 38 ASN A HN 38 ASN A HB2 3.50 38 ASN A HN 38 ASN A HB3 3.50 38 ASN A HN 38 ASN A QD2 8.00 38 ASN A HN 39 GLU A QB 5.50 38 ASN A HN 40 LEU A HN 4.50 38 ASN A QD2 34 GLU A QB 9.00 38 ASN A QD2 34 GLU A QG 7.50 38 ASN A QD2 38 ASN A HB2 5.70 38 ASN A QD2 38 ASN A HB3 5.70 39 GLU A HA 39 GLU A HN 4.50 39 GLU A HN 35 LEU A QD2 7.00 39 GLU A HN 36 ILE A QG2 7.00 39 GLU A HN 38 ASN A HB2 4.50 39 GLU A HN 38 ASN A HN 3.70 39 GLU A HN 39 GLU A QB 5.50 39 GLU A HN 39 GLU A QG 4.70 39 GLU A QB 39 GLU A HA 5.50 39 GLU A QG 40 LEU A HN 5.50 40 LEU A HA 40 LEU A HB2 4.50 40 LEU A HA 40 LEU A HG 4.50 40 LEU A HA 41 SER A HN 4.50 40 LEU A HB3 36 ILE A QG2 5.50 40 LEU A HB3 40 LEU A HG 4.50 40 LEU A HG 40 LEU A QD2 4.50 40 LEU A HG 43 PHE A HB3 3.50 40 LEU A HG 44 LEU A HN 4.50 40 LEU A HN 36 ILE A HA 4.50 40 LEU A HN 36 ILE A QG2 6.00 40 LEU A HN 39 GLU A HA 6.00 40 LEU A HN 39 GLU A HN 3.50 40 LEU A HN 40 LEU A HA 3.70 40 LEU A HN 40 LEU A HB2 3.50 40 LEU A HN 40 LEU A QD1 6.00 40 LEU A HN 40 LEU A QD2 6.00 40 LEU A QD1 40 LEU A HA 7.00 40 LEU A QD1 40 LEU A HB2 5.50 40 LEU A QD1 40 LEU A HG 5.00 40 LEU A QD1 43 PHE A HB3 5.50 40 LEU A QD1 43 PHE A HN 7.00 40 LEU A QD1 76 PHE A HZ 5.50 40 LEU A QD1 80 ILE A QD1 8.00 40 LEU A QD2 40 LEU A HA 5.50 40 LEU A QD2 40 LEU A HB2 5.00 41 SER A HB2 41 SER A HA 4.00 41 SER A HB2 41 SER A HN 4.50 41 SER A HB3 41 SER A HA 3.50 41 SER A HB3 41 SER A HN 4.50 41 SER A HN 36 ILE A QG2 7.00 41 SER A HN 39 GLU A HN 6.00 41 SER A HN 40 LEU A HB2 4.50 41 SER A HN 40 LEU A HG 6.00 41 SER A HN 41 SER A HA 3.50 41 SER A HN 42 HIS A HN 4.50 42 HIS A HA 42 HIS A HN 4.50 42 HIS A HN 40 LEU A HA 6.00 42 HIS A HN 40 LEU A HG 6.00 42 HIS A HN 40 LEU A QD1 7.00 42 HIS A HN 41 SER A HB2 6.00 42 HIS A HN 42 HIS A QB 7.00 43 PHE A HA 43 PHE A HB2 4.50 43 PHE A HA 43 PHE A HN 4.50 43 PHE A HB3 40 LEU A QD2 5.50 43 PHE A HN 40 LEU A HG 4.50 43 PHE A HN 42 HIS A HA 4.50 43 PHE A HN 42 HIS A HN 3.70 43 PHE A HN 43 PHE A HB2 3.70 43 PHE A HN 43 PHE A HB3 4.50 43 PHE A QD 40 LEU A HA 6.00 43 PHE A QD 40 LEU A HG 6.00 43 PHE A QD 40 LEU A QD1 7.00 43 PHE A QD 43 PHE A HA 3.50 43 PHE A QD 43 PHE A HB2 6.00 43 PHE A QD 43 PHE A HB3 6.00 43 PHE A QD 43 PHE A HN 6.00 43 PHE A QD 84 CYS A HB2 6.00 43 PHE A QE 43 PHE A HA 6.00 43 PHE A QE 81 THR A HA 3.50 43 PHE A QE 84 CYS A HB3 6.00 44 LEU A HA 44 LEU A HN 4.50 44 LEU A HA 44 LEU A QD2 7.00 44 LEU A HA 45 GLU A HN 3.50 44 LEU A HG 36 ILE A QG2 6.00 44 LEU A HG 44 LEU A HA 4.50 44 LEU A HG 44 LEU A HN 4.50 44 LEU A HG 44 LEU A QD2 6.00 44 LEU A HN 40 LEU A QD1 7.00 44 LEU A HN 41 SER A HA 4.50 44 LEU A HN 42 HIS A HN 6.00 44 LEU A HN 43 PHE A HB2 4.50 44 LEU A HN 43 PHE A HB3 4.50 44 LEU A HN 43 PHE A HN 3.70 44 LEU A HN 43 PHE A QD 6.00 44 LEU A HN 45 GLU A HN 6.00 44 LEU A QB 44 LEU A HA 5.50 44 LEU A QB 44 LEU A HG 5.50 44 LEU A QB 44 LEU A HN 5.50 44 LEU A QB 45 GLU A HN 5.50 44 LEU A QD1 40 LEU A HB2 5.50 44 LEU A QD1 40 LEU A HG 6.00 44 LEU A QD1 43 PHE A HB2 7.00 44 LEU A QD1 43 PHE A HB3 7.00 44 LEU A QD1 43 PHE A HN 7.00 44 LEU A QD1 44 LEU A HA 5.50 44 LEU A QD1 44 LEU A HN 5.50 44 LEU A QD1 44 LEU A QB 7.00 44 LEU A QD1 45 GLU A HN 7.00 44 LEU A QD1 76 PHE A HZ 5.50 44 LEU A QD1 80 ILE A QD1 6.50 44 LEU A QD2 45 GLU A HN 5.50 44 LEU A QD2 80 ILE A QD1 6.50 45 GLU A HA 45 GLU A HN 5.00 45 GLU A HA 46 GLU A HN 5.00 45 GLU A HG3 45 GLU A HN 5.00 45 GLU A HN 44 LEU A HG 3.50 45 GLU A HN 45 GLU A QB 4.70 45 GLU A HN 45 GLU A QG 4.50 45 GLU A QB 45 GLU A HA 4.50 45 GLU A QB 46 GLU A HN 5.00 45 GLU A QG 45 GLU A HA 4.50 46 GLU A HA 46 GLU A HN 5.00 46 GLU A HA 47 ILE A HN 3.50 46 GLU A HG2 46 GLU A HA 4.00 46 GLU A HG2 46 GLU A HN 4.50 46 GLU A HG2 47 ILE A HN 4.50 46 GLU A HG3 46 GLU A HA 3.50 46 GLU A HG3 47 ILE A HN 4.50 46 GLU A HN 47 ILE A HN 4.50 46 GLU A QB 46 GLU A HN 5.00 46 GLU A QB 47 ILE A HN 5.50 47 ILE A HA 47 ILE A HB 5.00 47 ILE A HA 47 ILE A HN 4.50 47 ILE A HA 48 LYS A HN 4.50 47 ILE A HB 37 ASN A HD21 4.50 47 ILE A HB 37 ASN A HD22 4.50 47 ILE A HB 47 ILE A HN 4.00 47 ILE A HB 47 ILE A QD1 6.00 47 ILE A HB 47 ILE A QG2 6.00 47 ILE A HG12 47 ILE A HA 4.50 47 ILE A HG12 47 ILE A HB 5.00 47 ILE A HG12 47 ILE A HG13 5.00 47 ILE A HG12 47 ILE A HN 4.50 47 ILE A HG12 47 ILE A QD1 6.00 47 ILE A HG12 47 ILE A QG2 6.00 47 ILE A HG13 37 ASN A HD22 4.50 47 ILE A HG13 47 ILE A HA 6.00 47 ILE A HG13 47 ILE A HN 4.50 47 ILE A HG13 47 ILE A QD1 6.00 47 ILE A HG13 47 ILE A QG2 6.00 47 ILE A HN 37 ASN A HA 6.00 47 ILE A HN 37 ASN A HD22 6.00 47 ILE A HN 47 ILE A QG2 7.00 47 ILE A QD1 37 ASN A HN 5.50 47 ILE A QD1 46 GLU A HA 5.50 47 ILE A QD1 47 ILE A HN 5.50 47 ILE A QD1 53 VAL A HA 5.50 47 ILE A QG2 33 LYS A QE 8.00 47 ILE A QG2 37 ASN A QD2 8.00 47 ILE A QG2 47 ILE A HA 5.50 47 ILE A QG2 48 LYS A HN 7.00 47 ILE A QG2 50 GLN A HN 7.00 47 ILE A QG2 53 VAL A HB 7.00 47 ILE A QG2 53 VAL A HN 6.00 48 LYS A QD 49 GLU A HA 6.00 48 LYS A QG 48 LYS A QB 7.00 48 LYS A QG 48 LYS A QD 7.00 48 LYS A QG 48 LYS A QE 6.50 49 GLU A HA 48 LYS A HA 5.00 49 GLU A HA 48 LYS A QB 6.00 49 GLU A HA 48 LYS A QE 6.00 49 GLU A HA 48 LYS A QG 5.00 49 GLU A HN 47 ILE A QG2 7.00 49 GLU A HN 48 LYS A HA 3.70 49 GLU A HN 48 LYS A QG 7.00 49 GLU A HN 49 GLU A QG 5.50 49 GLU A HN 50 GLN A HN 6.00 49 GLU A QB 52 VAL A HN 6.00 50 GLN A HA 33 LYS A QD 6.00 50 GLN A HA 52 VAL A HN 4.50 50 GLN A HA 53 VAL A HB 5.00 50 GLN A HA 53 VAL A QG2 5.50 50 GLN A QB 50 GLN A HA 6.00 50 GLN A QE2 50 GLN A QB 6.50 50 GLN A QE2 53 VAL A QG2 8.00 50 GLN A QG 30 SER A HA 5.50 50 GLN A QG 50 GLN A HA 5.50 50 GLN A QG 50 GLN A QB 8.00 50 GLN A QG 50 GLN A QE2 6.50 50 GLN A QG 53 VAL A QG2 8.00 51 GLU A HA 51 GLU A HN 4.50 51 GLU A HN 49 GLU A HA 4.50 51 GLU A HN 49 GLU A QB 6.00 51 GLU A HN 50 GLN A HA 6.00 51 GLU A HN 51 GLU A QB 6.00 51 GLU A HN 52 VAL A QG2 6.00 51 GLU A HN 53 VAL A QG1 6.00 51 GLU A QG 51 GLU A HA 4.50 51 GLU A QG 51 GLU A HN 5.00 51 GLU A QG 52 VAL A HN 5.50 52 VAL A HA 52 VAL A QG1 5.50 52 VAL A HA 53 VAL A HN 4.50 52 VAL A HA 55 LYS A QD 5.50 52 VAL A HA 56 VAL A HN 4.50 52 VAL A HB 49 GLU A HN 4.50 52 VAL A HB 52 VAL A HA 4.50 52 VAL A HB 52 VAL A HN 5.00 52 VAL A HB 52 VAL A QG1 5.00 52 VAL A HB 53 VAL A HN 5.00 52 VAL A HN 51 GLU A HA 3.70 52 VAL A HN 51 GLU A HN 4.50 52 VAL A HN 51 GLU A QB 4.70 52 VAL A HN 52 VAL A HA 3.70 52 VAL A HN 54 ASP A HN 4.50 52 VAL A QG1 49 GLU A QB 6.50 52 VAL A QG1 51 GLU A QB 7.00 52 VAL A QG1 52 VAL A HN 5.50 52 VAL A QG2 49 GLU A HN 7.00 52 VAL A QG2 51 GLU A QG 7.00 52 VAL A QG2 52 VAL A HA 5.00 52 VAL A QG2 52 VAL A HB 6.00 52 VAL A QG2 52 VAL A HN 5.00 52 VAL A QG2 54 ASP A HN 7.00 53 VAL A HA 53 VAL A HN 5.00 53 VAL A HA 53 VAL A QG1 6.00 53 VAL A HA 53 VAL A QG2 6.00 53 VAL A HA 56 VAL A HN 4.00 53 VAL A HA 56 VAL A QG2 6.00 53 VAL A HB 33 LYS A HA 4.00 53 VAL A HB 53 VAL A HA 4.00 53 VAL A HB 53 VAL A QG2 4.50 53 VAL A HN 51 GLU A HA 6.00 53 VAL A HN 53 VAL A HB 3.50 53 VAL A HN 53 VAL A QG2 4.70 53 VAL A HN 54 ASP A HN 3.70 53 VAL A QG1 29 LYS A QB 7.00 53 VAL A QG1 33 LYS A QB 7.00 53 VAL A QG1 33 LYS A QE 8.00 53 VAL A QG1 53 VAL A HB 5.00 53 VAL A QG1 53 VAL A HN 5.00 53 VAL A QG1 54 ASP A HA 7.00 53 VAL A QG2 29 LYS A HB3 4.50 53 VAL A QG2 33 LYS A HB3 5.00 53 VAL A QG2 33 LYS A QD 6.50 53 VAL A QG2 54 ASP A HN 5.50 54 ASP A HA 29 LYS A HB2 3.50 54 ASP A HA 29 LYS A HB3 5.00 54 ASP A HA 57 MET A QB 6.00 54 ASP A HA 57 MET A QE 5.50 54 ASP A HB2 51 GLU A HA 4.00 54 ASP A HB2 54 ASP A HN 4.00 54 ASP A HB2 55 LYS A HN 4.50 54 ASP A HB3 51 GLU A HA 4.50 54 ASP A HB3 54 ASP A HN 4.50 54 ASP A HB3 55 LYS A HN 4.50 54 ASP A HN 29 LYS A HB3 5.00 54 ASP A HN 52 VAL A HA 4.50 54 ASP A HN 53 VAL A HA 3.70 54 ASP A HN 53 VAL A HB 5.00 54 ASP A HN 54 ASP A HA 3.50 55 LYS A HA 55 LYS A HN 4.00 55 LYS A HA 55 LYS A QD 6.00 55 LYS A HA 55 LYS A QG 6.00 55 LYS A HA 58 GLU A HB2 5.00 55 LYS A HA 58 GLU A HB3 5.00 55 LYS A HA 58 GLU A HN 4.50 55 LYS A HB2 55 LYS A HA 4.50 55 LYS A HB2 55 LYS A HN 4.50 55 LYS A HB2 56 VAL A HN 4.50 55 LYS A HB3 52 VAL A HA 5.00 55 LYS A HB3 55 LYS A HA 3.50 55 LYS A HB3 55 LYS A HN 4.00 55 LYS A HB3 56 VAL A HN 4.00 55 LYS A HN 52 VAL A HA 4.50 55 LYS A HN 53 VAL A HN 6.00 55 LYS A HN 54 ASP A HN 3.50 55 LYS A HN 55 LYS A QG 5.50 55 LYS A QD 55 LYS A QE 6.50 55 LYS A QE 59 THR A HB 5.50 55 LYS A QG 55 LYS A QE 6.50 55 LYS A QG 56 VAL A HN 5.50 55 LYS A QG 59 THR A HB 5.50 56 VAL A HA 56 VAL A HN 3.50 56 VAL A HB 56 VAL A HA 4.50 56 VAL A HB 56 VAL A QG1 5.50 56 VAL A HN 55 LYS A HA 3.70 56 VAL A HN 55 LYS A HN 3.70 56 VAL A HN 56 VAL A HB 5.00 56 VAL A QG1 53 VAL A HA 6.00 56 VAL A QG1 56 VAL A HA 6.00 56 VAL A QG1 56 VAL A HN 5.00 56 VAL A QG1 76 PHE A QD 7.00 56 VAL A QG2 55 LYS A HN 7.00 56 VAL A QG2 56 VAL A HB 5.50 56 VAL A QG2 56 VAL A HN 6.00 56 VAL A QG2 56 VAL A QG1 6.50 56 VAL A QG2 57 MET A HA 5.50 56 VAL A QG2 57 MET A HN 6.00 56 VAL A QG2 76 PHE A QE 7.00 57 MET A HA 57 MET A HN 3.50 57 MET A HA 60 LEU A HB2 5.00 57 MET A HN 32 LEU A QD1 5.50 57 MET A HN 56 VAL A HA 3.70 57 MET A HN 56 VAL A QG1 5.50 57 MET A HN 57 MET A QB 4.70 57 MET A HN 57 MET A QG 5.50 57 MET A QE 28 LYS A HA 5.50 57 MET A QE 29 LYS A HA 5.00 57 MET A QE 29 LYS A HN 6.50 57 MET A QE 31 GLU A HN 6.50 57 MET A QE 32 LEU A HN 5.00 57 MET A QE 32 LEU A QD1 6.00 57 MET A QE 57 MET A QG 6.00 57 MET A QE 67 GLU A HA 5.50 57 MET A QE 68 CYS A HA 6.50 57 MET A QE 68 CYS A HN 5.00 58 GLU A HA 58 GLU A HN 3.50 58 GLU A HB2 58 GLU A HN 3.50 58 GLU A HB3 58 GLU A HA 5.00 58 GLU A HB3 58 GLU A HN 3.50 58 GLU A HB3 59 THR A HN 4.50 58 GLU A HG2 58 GLU A HA 3.50 58 GLU A HG2 58 GLU A HN 5.00 58 GLU A HG2 59 THR A HN 4.50 58 GLU A HG3 58 GLU A HA 3.50 58 GLU A HG3 59 THR A HN 4.50 58 GLU A HN 32 LEU A QD1 7.00 58 GLU A HN 54 ASP A HB2 6.00 58 GLU A HN 56 VAL A QG2 7.00 58 GLU A HN 57 MET A HN 3.70 58 GLU A HN 57 MET A QG 4.70 59 THR A HA 59 THR A HN 4.00 59 THR A HA 59 THR A QG2 5.50 59 THR A HB 56 VAL A HA 4.50 59 THR A HB 58 GLU A HB3 6.00 59 THR A HB 59 THR A HA 3.50 59 THR A HB 59 THR A HN 3.50 59 THR A HB 59 THR A QG2 5.50 59 THR A HB 60 LEU A QD2 5.50 59 THR A HN 56 VAL A QG1 7.00 59 THR A HN 58 GLU A HN 3.50 59 THR A HN 59 THR A QG2 7.00 59 THR A QG2 60 LEU A QD2 6.50 59 THR A QG2 61 ASP A HN 7.00 59 THR A QG2 76 PHE A QD 7.00 60 LEU A HA 60 LEU A HN 4.00 60 LEU A HB2 60 LEU A HA 4.50 60 LEU A HB2 60 LEU A HN 4.50 60 LEU A HB2 68 CYS A HB3 4.50 60 LEU A HB3 60 LEU A HA 4.50 60 LEU A HB3 60 LEU A HN 4.50 60 LEU A HB3 61 ASP A HN 4.50 60 LEU A HG 60 LEU A HA 4.50 60 LEU A HG 60 LEU A HN 4.50 60 LEU A HN 57 MET A HA 6.00 60 LEU A HN 59 THR A HA 3.70 60 LEU A HN 59 THR A QG2 7.00 60 LEU A HN 60 LEU A QD1 7.00 60 LEU A HN 61 ASP A HB3 4.50 60 LEU A HN 62 SER A HN 6.00 60 LEU A QD1 60 LEU A HA 7.00 60 LEU A QD1 60 LEU A HB2 5.50 60 LEU A QD1 60 LEU A HB3 5.50 60 LEU A QD1 60 LEU A HG 7.00 60 LEU A QD1 60 LEU A QD2 5.50 60 LEU A QD1 76 PHE A HB2 7.00 60 LEU A QD2 60 LEU A HA 5.50 60 LEU A QD2 60 LEU A HB3 5.50 60 LEU A QD2 60 LEU A HG 5.50 60 LEU A QD2 60 LEU A HN 5.50 60 LEU A QD2 61 ASP A HN 5.50 61 ASP A HA 62 SER A HN 4.00 61 ASP A HN 60 LEU A HA 3.50 61 ASP A HN 60 LEU A HB2 3.70 61 ASP A HN 60 LEU A HN 3.50 61 ASP A HN 61 ASP A HA 3.50 61 ASP A HN 61 ASP A HB2 3.50 61 ASP A HN 62 SER A HN 4.50 62 SER A HA 63 ASP A HN 4.50 62 SER A HA 64 GLY A HN 4.50 62 SER A HN 62 SER A HA 3.70 62 SER A HN 63 ASP A HN 3.70 62 SER A HN 72 GLU A HG3 3.70 62 SER A QB 62 SER A HA 3.50 62 SER A QB 62 SER A HN 4.00 62 SER A QB 63 ASP A HN 4.50 62 SER A QB 72 GLU A HG2 4.50 63 ASP A HA 63 ASP A HN 4.50 63 ASP A HA 64 GLY A HN 4.50 63 ASP A HB2 63 ASP A HA 4.50 63 ASP A HB3 63 ASP A HA 4.50 63 ASP A HB3 63 ASP A HN 4.50 63 ASP A HB3 65 ASP A HB2 3.50 64 GLY A HA1 65 ASP A HN 4.50 64 GLY A HA2 65 ASP A HN 4.50 64 GLY A HN 62 SER A HN 6.00 64 GLY A HN 63 ASP A HB2 3.70 64 GLY A HN 63 ASP A HB3 4.50 64 GLY A HN 63 ASP A HN 3.50 64 GLY A HN 64 GLY A HA1 3.50 64 GLY A HN 64 GLY A HA2 3.50 64 GLY A HN 66 GLY A HN 4.50 65 ASP A HB2 65 ASP A HA 4.00 65 ASP A HB3 63 ASP A HB3 4.00 65 ASP A HB3 65 ASP A HA 4.50 65 ASP A HN 64 GLY A HN 3.50 65 ASP A HN 65 ASP A HA 3.50 65 ASP A HN 65 ASP A HB2 3.50 65 ASP A HN 65 ASP A HB3 3.50 65 ASP A HN 66 GLY A QA 4.50 65 ASP A HN 67 GLU A HN 4.50 66 GLY A HN 65 ASP A HN 3.70 66 GLY A HN 66 GLY A HA1 3.70 66 GLY A HN 66 GLY A HA2 3.70 66 GLY A HN 67 GLU A HN 4.50 66 GLY A QA 66 GLY A HN 4.50 66 GLY A QA 67 GLU A HN 4.50 67 GLU A HB2 27 LEU A HN 4.50 67 GLU A HB2 67 GLU A HA 4.00 67 GLU A HN 26 LYS A QB 6.00 67 GLU A HN 28 LYS A QD 6.00 67 GLU A HN 28 LYS A QE 7.00 67 GLU A HN 28 LYS A QG 6.00 67 GLU A HN 66 GLY A HA1 3.50 67 GLU A HN 66 GLY A HA2 3.50 67 GLU A HN 67 GLU A HA 3.50 67 GLU A HN 67 GLU A HB3 3.50 68 CYS A HA 69 ASP A HN 4.00 68 CYS A HB2 27 LEU A HB3 5.00 68 CYS A HB2 32 LEU A HB2 5.00 68 CYS A HB2 32 LEU A QD2 5.50 68 CYS A HB2 57 MET A QB 5.50 68 CYS A HB2 68 CYS A HA 4.50 68 CYS A HB2 68 CYS A HB3 4.50 68 CYS A HB2 68 CYS A HN 4.50 68 CYS A HB3 32 LEU A QD2 7.00 68 CYS A HB3 57 MET A QB 5.50 68 CYS A HB3 68 CYS A HA 4.50 68 CYS A HB3 68 CYS A HN 4.50 68 CYS A HN 32 LEU A HG 6.00 68 CYS A HN 67 GLU A HA 3.70 68 CYS A HN 67 GLU A HN 6.00 68 CYS A HN 68 CYS A HA 6.00 69 ASP A HA 70 PHE A HN 4.50 69 ASP A HB3 69 ASP A HB2 4.50 69 ASP A HN 69 ASP A HB3 6.00 69 ASP A HN 71 GLN A QG 7.00 69 ASP A HN 72 GLU A HG3 4.50 69 ASP A HN 73 PHE A HB3 6.00 69 ASP A HN 73 PHE A HN 6.00 70 PHE A HA 70 PHE A HB2 4.50 70 PHE A HB3 14 PHE A HZ 4.50 70 PHE A HN 14 PHE A HZ 6.00 70 PHE A HN 69 ASP A HB2 4.50 70 PHE A HN 69 ASP A HB3 4.50 70 PHE A HN 70 PHE A HA 6.00 70 PHE A HN 70 PHE A HB3 4.50 70 PHE A HN 70 PHE A QD 6.00 70 PHE A HN 71 GLN A HN 6.00 70 PHE A HZ 11 ILE A HA 6.00 70 PHE A HZ 11 ILE A QG1 5.50 70 PHE A HZ 74 MET A QG 7.00 70 PHE A QD 70 PHE A HA 6.00 70 PHE A QE 11 ILE A QD1 7.00 70 PHE A QE 11 ILE A QG1 7.00 70 PHE A QE 11 ILE A QG2 7.00 70 PHE A QE 14 PHE A HB3 6.00 70 PHE A QE 70 PHE A HZ 4.50 70 PHE A QE 74 MET A QG 7.00 71 GLN A HA 71 GLN A HB2 3.50 71 GLN A HA 71 GLN A HN 4.50 71 GLN A HA 74 MET A HN 4.50 71 GLN A HB2 71 GLN A HN 4.50 71 GLN A HB2 72 GLU A HN 4.50 71 GLN A HB3 71 GLN A HA 5.00 71 GLN A HB3 71 GLN A HN 4.50 71 GLN A HB3 72 GLU A HN 4.50 71 GLN A HE22 71 GLN A HE21 3.50 71 GLN A QG 71 GLN A HA 5.50 71 GLN A QG 71 GLN A HE21 5.50 71 GLN A QG 71 GLN A HE22 5.50 71 GLN A QG 71 GLN A HN 5.50 71 GLN A QG 71 GLN A QB 5.50 71 GLN A QG 72 GLU A HN 5.50 72 GLU A HA 60 LEU A HB2 5.00 72 GLU A HA 72 GLU A HN 5.00 72 GLU A HA 73 PHE A HN 5.00 72 GLU A HA 75 ALA A HN 4.50 72 GLU A HA 75 ALA A QB 5.50 72 GLU A HG2 62 SER A HN 4.00 72 GLU A HG3 62 SER A QB 4.50 72 GLU A HG3 72 GLU A HN 4.50 72 GLU A HN 14 PHE A HZ 6.00 72 GLU A HN 68 CYS A HA 6.00 72 GLU A HN 69 ASP A HN 4.50 72 GLU A HN 70 PHE A HA 6.00 72 GLU A HN 71 GLN A HN 4.50 72 GLU A HN 72 GLU A HG2 3.70 72 GLU A HN 72 GLU A QB 5.50 72 GLU A QB 68 CYS A HA 7.00 72 GLU A QB 69 ASP A HN 7.00 72 GLU A QB 72 GLU A HA 5.00 73 PHE A HA 73 PHE A HB3 4.50 73 PHE A HA 73 PHE A HN 4.50 73 PHE A HA 76 PHE A HN 4.50 73 PHE A HB2 27 LEU A QD1 5.50 73 PHE A HB2 73 PHE A HA 4.50 73 PHE A HB2 73 PHE A QD 4.50 73 PHE A HB3 73 PHE A QD 4.50 73 PHE A HN 27 LEU A QD1 7.00 73 PHE A HN 71 GLN A HN 4.50 73 PHE A HN 72 GLU A HG2 4.50 73 PHE A HN 72 GLU A QB 5.50 73 PHE A HN 73 PHE A HB2 3.70 73 PHE A HN 73 PHE A HB3 3.70 73 PHE A HN 73 PHE A QD 6.00 73 PHE A HZ 14 PHE A HB2 6.00 73 PHE A HZ 14 PHE A HB3 6.00 73 PHE A HZ 35 LEU A QD1 7.00 73 PHE A HZ 35 LEU A QD2 4.50 73 PHE A HZ 77 VAL A QG1 7.00 73 PHE A QD 73 PHE A HA 6.00 73 PHE A QD 77 VAL A QG2 7.00 73 PHE A QE 27 LEU A QD2 7.00 74 MET A HA 73 PHE A QD 6.00 74 MET A HA 73 PHE A QE 6.00 74 MET A HA 74 MET A HN 4.50 74 MET A HA 74 MET A QB 4.50 74 MET A HA 77 VAL A HN 4.50 74 MET A HA 77 VAL A QG1 6.00 74 MET A HN 73 PHE A HB3 4.50 74 MET A HN 73 PHE A HN 4.50 74 MET A HN 73 PHE A QD 6.00 74 MET A HN 74 MET A QB 5.50 74 MET A HN 74 MET A QG 5.50 74 MET A QE 10 LEU A QD1 6.50 74 MET A QE 73 PHE A QE 6.50 74 MET A QE 74 MET A QG 7.50 74 MET A QE 77 VAL A QG1 6.50 74 MET A QE 77 VAL A QG2 6.50 75 ALA A HA 75 ALA A HN 4.00 75 ALA A HA 78 ALA A HN 4.50 75 ALA A HN 71 GLN A HA 6.00 75 ALA A HN 73 PHE A HN 6.00 75 ALA A HN 74 MET A HA 3.50 75 ALA A HN 74 MET A HN 3.70 75 ALA A HN 74 MET A QB 7.00 75 ALA A HN 74 MET A QG 7.00 75 ALA A HN 75 ALA A QB 5.50 75 ALA A HN 76 PHE A HA 6.00 75 ALA A HN 76 PHE A HB2 6.00 75 ALA A HN 77 VAL A HN 4.50 75 ALA A QB 60 LEU A QD2 7.50 75 ALA A QB 72 GLU A HN 6.50 75 ALA A QB 75 ALA A HA 4.50 75 ALA A QB 76 PHE A HB2 6.50 75 ALA A QB 79 MET A QE 7.00 76 PHE A HA 76 PHE A HN 4.50 76 PHE A HA 77 VAL A HN 4.50 76 PHE A HA 79 MET A HN 4.50 76 PHE A HB2 60 LEU A QD2 7.00 76 PHE A HB2 76 PHE A HN 4.50 76 PHE A HB2 76 PHE A QD 6.00 76 PHE A HB3 60 LEU A QD2 7.00 76 PHE A HB3 76 PHE A HN 4.50 76 PHE A HN 60 LEU A QD1 7.00 76 PHE A HN 60 LEU A QD2 7.00 76 PHE A HN 75 ALA A HA 3.70 76 PHE A HN 75 ALA A QB 6.50 76 PHE A HN 76 PHE A QD 6.00 76 PHE A HN 77 VAL A HB 4.50 76 PHE A HN 77 VAL A QG2 7.00 76 PHE A HZ 36 ILE A HA 6.00 76 PHE A HZ 36 ILE A QD1 4.50 76 PHE A HZ 36 ILE A QG1 7.00 76 PHE A HZ 40 LEU A QD2 4.50 76 PHE A HZ 44 LEU A QQD 5.50 76 PHE A HZ 80 ILE A QD1 7.00 76 PHE A QD 56 VAL A HB 6.00 76 PHE A QD 60 LEU A QD1 7.00 76 PHE A QD 60 LEU A QD2 6.00 76 PHE A QD 76 PHE A HA 4.50 76 PHE A QD 76 PHE A HB3 6.00 76 PHE A QD 77 VAL A HB 6.00 76 PHE A QE 36 ILE A QD1 7.00 76 PHE A QE 36 ILE A QG1 7.00 76 PHE A QE 44 LEU A QQD 5.50 76 PHE A QE 56 VAL A HB 6.00 77 VAL A HA 77 VAL A HN 4.50 77 VAL A HA 77 VAL A QG1 5.50 77 VAL A HA 80 ILE A HN 4.50 77 VAL A HB 10 LEU A QD2 6.00 77 VAL A HB 77 VAL A HN 4.00 77 VAL A HB 78 ALA A QB 6.50 77 VAL A HN 76 PHE A HB2 4.50 77 VAL A HN 76 PHE A HB3 4.50 77 VAL A HN 76 PHE A HN 3.70 77 VAL A HN 76 PHE A QD 6.00 77 VAL A HN 77 VAL A QG1 7.00 77 VAL A QG1 10 LEU A QD2 7.00 77 VAL A QG1 77 VAL A HB 7.00 77 VAL A QG1 78 ALA A HN 7.00 77 VAL A QG2 10 LEU A QD2 7.00 77 VAL A QG2 73 PHE A HZ 7.00 77 VAL A QG2 73 PHE A QE 5.50 77 VAL A QG2 74 MET A HA 7.00 77 VAL A QG2 76 PHE A QD 7.00 77 VAL A QG2 77 VAL A HA 7.00 77 VAL A QG2 77 VAL A HB 7.00 77 VAL A QG2 77 VAL A HN 5.50 77 VAL A QG2 77 VAL A QG1 8.00 78 ALA A HA 78 ALA A HN 4.50 78 ALA A HA 78 ALA A QB 5.00 78 ALA A HN 77 VAL A HA 6.00 78 ALA A HN 77 VAL A HB 4.50 78 ALA A HN 77 VAL A QG2 7.00 78 ALA A HN 78 ALA A QB 6.50 78 ALA A HN 79 MET A HN 6.00 78 ALA A QB 79 MET A HN 5.00 78 ALA A QB 79 MET A QE 7.00 79 MET A HA 79 MET A HB3 5.00 79 MET A HB2 79 MET A HA 4.00 79 MET A HB2 79 MET A HN 4.00 79 MET A HB2 80 ILE A HG12 4.50 79 MET A HB2 80 ILE A HN 4.50 79 MET A HB3 79 MET A HN 4.00 79 MET A HB3 80 ILE A HN 4.50 79 MET A HG2 79 MET A HA 4.50 79 MET A HG2 79 MET A HG3 3.50 79 MET A HG2 79 MET A HN 3.50 79 MET A HG2 79 MET A QB 4.50 79 MET A HG2 79 MET A QE 5.00 79 MET A HG2 80 ILE A HN 4.50 79 MET A HG3 79 MET A HA 4.50 79 MET A HG3 79 MET A HB3 3.50 79 MET A HG3 79 MET A HN 4.00 79 MET A HN 77 VAL A QG2 7.00 79 MET A HN 79 MET A HA 3.50 79 MET A HN 80 ILE A HG12 4.50 79 MET A QE 59 THR A QG2 6.00 79 MET A QE 60 LEU A QD2 6.00 79 MET A QE 76 PHE A HA 6.50 79 MET A QE 76 PHE A QD 5.00 79 MET A QE 79 MET A HA 6.50 79 MET A QE 79 MET A HB3 5.00 79 MET A QE 79 MET A HG3 5.00 79 MET A QE 79 MET A HN 5.00 80 ILE A HA 80 ILE A HN 4.50 80 ILE A HA 81 THR A HN 4.50 80 ILE A HA 83 ALA A HN 4.50 80 ILE A HB 77 VAL A HA 4.50 80 ILE A HB 77 VAL A QG2 5.50 80 ILE A HB 80 ILE A HA 4.50 80 ILE A HB 80 ILE A HG12 4.00 80 ILE A HB 80 ILE A HN 4.00 80 ILE A HB 81 THR A HN 4.50 80 ILE A HG12 77 VAL A HA 4.50 80 ILE A HG12 80 ILE A HA 4.50 80 ILE A HG12 80 ILE A HN 6.00 80 ILE A HG12 80 ILE A QD1 5.50 80 ILE A HN 77 VAL A QG2 7.00 80 ILE A HN 79 MET A HA 3.70 80 ILE A HN 79 MET A HG3 4.50 80 ILE A HN 79 MET A HN 3.70 80 ILE A HN 80 ILE A QG2 7.00 80 ILE A QD1 40 LEU A HB3 7.00 80 ILE A QD1 40 LEU A HG 5.50 80 ILE A QD1 76 PHE A HB2 7.00 80 ILE A QD1 76 PHE A HB3 7.00 80 ILE A QD1 76 PHE A QD 6.00 80 ILE A QD1 76 PHE A QE 7.00 80 ILE A QD1 79 MET A HG3 5.50 80 ILE A QD1 80 ILE A HA 5.50 80 ILE A QD1 80 ILE A HB 7.00 80 ILE A QD1 80 ILE A HN 5.50 80 ILE A QD1 80 ILE A QG2 8.00 80 ILE A QG2 43 PHE A QD 7.00 80 ILE A QG2 80 ILE A HA 7.00 80 ILE A QG2 80 ILE A HB 5.50 80 ILE A QG2 80 ILE A HG12 5.00 80 ILE A QG2 81 THR A HN 7.00 81 THR A HA 81 THR A HB 4.50 81 THR A HA 82 THR A HN 4.50 81 THR A HB 81 THR A HN 4.50 81 THR A HB 81 THR A QG2 7.00 81 THR A HB 82 THR A HN 4.50 81 THR A HN 77 VAL A HA 6.00 81 THR A HN 77 VAL A QG1 7.00 81 THR A HN 78 ALA A HA 4.50 81 THR A HN 80 ILE A HG13 6.00 81 THR A HN 80 ILE A HN 4.50 81 THR A HN 81 THR A HA 6.00 81 THR A QG2 81 THR A HA 5.50 81 THR A QG2 81 THR A HN 7.00 81 THR A QG2 82 THR A HN 7.00 82 THR A HA 82 THR A HB 4.50 82 THR A HA 82 THR A HN 4.50 82 THR A HB 82 THR A HN 4.50 82 THR A HN 81 THR A HN 4.50 82 THR A HN 82 THR A QG2 7.00 82 THR A QG2 82 THR A HA 5.50 82 THR A QG2 83 ALA A HA 6.00 83 ALA A HA 83 ALA A HN 5.00 83 ALA A HA 86 GLU A HN 5.00 83 ALA A HN 82 THR A HA 3.70 83 ALA A HN 82 THR A HN 3.50 83 ALA A HN 82 THR A QG2 7.00 83 ALA A HN 84 CYS A HB2 6.00 83 ALA A QB 80 ILE A HA 5.00 83 ALA A QB 80 ILE A QG2 6.00 83 ALA A QB 83 ALA A HA 4.50 83 ALA A QB 83 ALA A HN 5.00 84 CYS A HA 84 CYS A HN 4.50 84 CYS A HA 87 PHE A QB 6.00 84 CYS A HB2 81 THR A HA 5.00 84 CYS A HB2 84 CYS A HA 5.00 84 CYS A HB2 85 HIS A HN 4.50 84 CYS A HB3 81 THR A HA 5.00 84 CYS A HB3 84 CYS A HA 5.00 84 CYS A HB3 84 CYS A HB2 4.50 84 CYS A HB3 85 HIS A HN 4.50 84 CYS A HN 81 THR A HA 4.50 84 CYS A HN 83 ALA A HN 3.70 84 CYS A HN 83 ALA A QB 6.50 84 CYS A HN 84 CYS A HB2 4.50 84 CYS A HN 84 CYS A HB3 4.50 85 HIS A HN 85 HIS A HA 4.50 85 HIS A HN 85 HIS A HD2 5.00 85 HIS A HN 87 PHE A HN 4.50 86 GLU A HA 86 GLU A HN 5.00 86 GLU A HA 87 PHE A HN 5.00 86 GLU A HA 89 GLU A HN 5.00 86 GLU A HA 89 GLU A QG 6.00 86 GLU A HN 85 HIS A HN 4.50 86 GLU A HN 86 GLU A QB 5.50 86 GLU A HN 86 GLU A QG 7.00 86 GLU A QB 87 PHE A HN 5.50 87 PHE A HN 87 PHE A HA 6.00 87 PHE A QB 87 PHE A HA 5.50 87 PHE A QB 87 PHE A HN 5.50 87 PHE A QB 87 PHE A QD 5.50 87 PHE A QD 87 PHE A HA 4.50 87 PHE A QD 91 GLU A HA 6.00 88 PHE A HA 88 PHE A HB2 3.50 88 PHE A HB2 88 PHE A HB3 4.00 88 PHE A HN 85 HIS A HA 4.50 88 PHE A HN 88 PHE A HA 3.70 88 PHE A HN 88 PHE A HB2 3.50 88 PHE A HN 88 PHE A HB3 3.70 88 PHE A HN 88 PHE A QD 6.00 88 PHE A HN 89 GLU A QG 7.00 88 PHE A QD 85 HIS A HA 6.00 88 PHE A QD 87 PHE A QB 7.00 88 PHE A QD 88 PHE A HA 6.00 88 PHE A QD 88 PHE A HB2 6.00 88 PHE A QD 88 PHE A HB3 6.00 88 PHE A QD 89 GLU A HA 6.00 89 GLU A HA 89 GLU A HB3 3.50 89 GLU A HN 88 PHE A HA 3.70 89 GLU A HN 88 PHE A HB2 4.50 89 GLU A HN 89 GLU A HA 3.70 89 GLU A HN 89 GLU A HB2 3.50 89 GLU A HN 89 GLU A HB3 3.70 89 GLU A HN 90 HIS A QB 5.50 90 HIS A HA 90 HIS A HD2 3.50 90 HIS A HA 90 HIS A QB 6.00 90 HIS A HN 91 GLU A HN 4.50 90 HIS A QB 90 HIS A HD2 5.00 91 GLU A HA 91 GLU A HN 4.50 91 GLU A HB2 91 GLU A HN 3.50 91 GLU A HN 90 HIS A HA 3.50 91 GLU A HN 90 HIS A QB 5.50 91 GLU A HN 91 GLU A HB3 3.70 91 GLU A QG 91 GLU A HN 5.00 ## (S100B) CHAIN B INTRAMOLECULAR DISTANCE RESTRAINTS 1 SER B HB3 1 SER B HA 4.50 1 SER B HB3 1 SER B HB2 4.50 2 GLU B HN 1 SER B HA 3.50 2 GLU B HN 1 SER B HB2 3.70 2 GLU B HN 2 GLU B HA 3.70 2 GLU B HN 2 GLU B HB2 3.50 2 GLU B HN 2 GLU B QG 4.70 2 GLU B HN 3 LEU B HG 6.00 2 GLU B QG 3 LEU B QD2 6.50 3 LEU B HA 3 LEU B HB2 3.50 3 LEU B HA 3 LEU B HG 5.00 3 LEU B HA 3 LEU B QD1 5.50 3 LEU B HA 3 LEU B QD2 5.50 3 LEU B HA 4 GLU B HN 4.00 3 LEU B HB3 3 LEU B HA 4.50 3 LEU B HB3 3 LEU B HB2 4.50 3 LEU B HB3 3 LEU B QD1 7.00 3 LEU B HG 3 LEU B QD1 5.50 3 LEU B HG 4 GLU B HN 4.50 3 LEU B HN 1 SER B HB2 6.00 3 LEU B HN 2 GLU B HN 6.00 3 LEU B HN 3 LEU B HA 3.70 3 LEU B HN 3 LEU B HB2 4.50 3 LEU B HN 3 LEU B HG 3.70 3 LEU B HN 3 LEU B QD1 7.00 3 LEU B HN 4 GLU B HN 4.50 3 LEU B QD2 3 LEU B HG 6.00 4 GLU B HN 1 SER B HB3 6.00 4 GLU B HN 2 GLU B HN 6.00 4 GLU B HN 3 LEU B QD1 7.00 4 GLU B HN 4 GLU B HA 3.70 4 GLU B HN 4 GLU B QB 4.70 4 GLU B HN 4 GLU B QG 5.50 5 LYS B HA 5 LYS B HN 4.50 5 LYS B HA 5 LYS B QD 6.00 5 LYS B HA 8 VAL B HN 4.50 5 LYS B HN 4 GLU B HA 4.50 5 LYS B HN 4 GLU B HN 4.50 5 LYS B HN 5 LYS B QB 7.00 5 LYS B HN 5 LYS B QE 7.00 5 LYS B QD 5 LYS B HN 5.50 5 LYS B QD 5 LYS B QE 6.50 5 LYS B QD 8 VAL B QG2 6.50 5 LYS B QE 5 LYS B HA 5.50 5 LYS B QE 8 VAL B QG2 6.50 6 ALA B HA 6 ALA B HN 4.00 6 ALA B HA 9 ALA B HN 4.50 6 ALA B HA 10 LEU B HN 4.50 6 ALA B HN 5 LYS B HN 3.70 6 ALA B QB 5 LYS B HN 5.00 6 ALA B QB 6 ALA B HA 4.00 6 ALA B QB 6 ALA B HN 4.50 6 ALA B QB 7 VAL B HN 5.00 7 VAL B HA 8 VAL B HN 4.50 7 VAL B HA 10 LEU B QB 5.50 7 VAL B HB 7 VAL B QG1 6.00 7 VAL B HB 7 VAL B QG2 6.00 7 VAL B HN 4 GLU B HA 3.70 7 VAL B HN 5 LYS B HN 4.50 7 VAL B HN 7 VAL B HA 3.70 7 VAL B HN 7 VAL B HB 3.70 7 VAL B QG1 4 GLU B HA 5.50 7 VAL B QG1 5 LYS B HN 7.00 7 VAL B QG1 7 VAL B HN 5.50 7 VAL B QG1 8 VAL B HA 6.00 7 VAL B QG1 10 LEU B HN 7.00 7 VAL B QG2 7 VAL B HA 6.00 8 VAL B HA 8 VAL B QG2 5.00 8 VAL B HN 5 LYS B QD 5.50 8 VAL B HN 7 VAL B HB 3.70 8 VAL B HN 7 VAL B HN 3.50 8 VAL B HN 8 VAL B HA 3.70 8 VAL B HN 8 VAL B HB 3.70 8 VAL B HN 8 VAL B QG2 5.50 8 VAL B HN 12 ASP B QB 7.00 8 VAL B QG1 8 VAL B HA 5.50 8 VAL B QG1 8 VAL B HB 5.50 8 VAL B QG1 8 VAL B HN 5.50 8 VAL B QG1 9 ALA B HN 7.00 8 VAL B QG2 8 VAL B HB 5.00 9 ALA B HA 9 ALA B HN 4.50 9 ALA B HA 9 ALA B QB 5.00 9 ALA B HA 12 ASP B HN 4.50 9 ALA B HA 12 ASP B QB 5.50 9 ALA B HN 8 VAL B HA 6.00 9 ALA B HN 8 VAL B HB 4.50 9 ALA B HN 8 VAL B HN 4.50 9 ALA B HN 8 VAL B QG2 7.00 9 ALA B HN 10 LEU B HN 6.00 9 ALA B HN 12 ASP B HN 6.00 9 ALA B QB 6 ALA B HA 5.50 9 ALA B QB 6 ALA B HN 6.50 9 ALA B QB 9 ALA B HN 5.00 9 ALA B QB 10 LEU B QB 6.50 9 ALA B QB 10 LEU B QD1 7.50 9 ALA B QB 12 ASP B QB 7.50 9 ALA B QB 13 VAL B HB 5.50 10 LEU B HA 10 LEU B QD2 5.50 10 LEU B HG 10 LEU B HN 4.50 10 LEU B HG 10 LEU B QD2 5.50 10 LEU B HN 7 VAL B HA 4.50 10 LEU B HN 9 ALA B QB 5.50 10 LEU B HN 10 LEU B HA 3.70 10 LEU B HN 10 LEU B QD1 5.00 10 LEU B HN 10 LEU B QD2 5.00 10 LEU B HN 70 PHE B HZ 6.00 10 LEU B QB 10 LEU B HN 5.50 10 LEU B QB 10 LEU B QD1 8.00 10 LEU B QD1 7 VAL B HA 6.00 10 LEU B QD1 10 LEU B HA 5.50 10 LEU B QD1 10 LEU B HG 6.00 10 LEU B QD1 73 PHE B HZ 5.50 10 LEU B QD1 74 MET B QG 7.00 11 ILE B HA 11 ILE B HN 4.50 11 ILE B HA 12 ASP B HN 4.50 11 ILE B HN 10 LEU B HA 6.00 11 ILE B HN 10 LEU B HN 4.50 11 ILE B HN 10 LEU B QB 7.00 11 ILE B HN 11 ILE B HB 4.50 11 ILE B HN 14 PHE B HB3 6.00 11 ILE B HN 70 PHE B HZ 4.50 11 ILE B QG2 8 VAL B HA 6.00 11 ILE B QG2 11 ILE B HA 6.00 11 ILE B QG2 11 ILE B HB 5.50 11 ILE B QG2 11 ILE B HN 7.00 11 ILE B QG2 12 ASP B HA 7.00 11 ILE B QG2 12 ASP B HN 7.00 11 ILE B QG2 70 PHE B HZ 7.00 12 ASP B HA 12 ASP B QB 5.00 12 ASP B HN 11 ILE B HB 6.00 12 ASP B HN 11 ILE B HN 6.00 12 ASP B HN 12 ASP B HA 4.50 12 ASP B QB 12 ASP B HN 5.50 13 VAL B HA 13 VAL B HN 4.50 13 VAL B HB 12 ASP B QB 5.50 13 VAL B HB 13 VAL B HA 4.00 13 VAL B HB 13 VAL B HN 3.50 13 VAL B HB 13 VAL B QG2 5.00 13 VAL B HB 73 PHE B HZ 4.50 13 VAL B HN 11 ILE B HN 4.50 13 VAL B HN 12 ASP B QB 5.50 13 VAL B QG1 13 VAL B HB 5.50 13 VAL B QG1 13 VAL B HN 5.50 13 VAL B QG1 14 PHE B HN 5.50 13 VAL B QG1 35 LEU B QD2 6.50 13 VAL B QG2 13 VAL B HA 5.00 14 PHE B HA 14 PHE B HN 5.00 14 PHE B HB2 10 LEU B HA 4.50 14 PHE B HB3 15 HIS B HA 4.50 14 PHE B HN 13 VAL B HA 6.00 14 PHE B HN 13 VAL B HB 3.70 14 PHE B HN 13 VAL B HN 4.50 14 PHE B HN 13 VAL B QG2 7.00 14 PHE B HN 14 PHE B HB2 3.70 14 PHE B HN 14 PHE B HB3 3.70 14 PHE B HN 14 PHE B QD 6.00 14 PHE B HN 35 LEU B QD2 7.00 14 PHE B HZ 69 ASP B HA 6.00 14 PHE B HZ 70 PHE B HA 6.00 14 PHE B QD 14 PHE B QE 6.00 14 PHE B QD 27 LEU B HG 6.00 14 PHE B QE 25 HIS B HA 6.00 14 PHE B QE 27 LEU B HG 6.00 14 PHE B QE 73 PHE B HB2 6.00 15 HIS B HN 11 ILE B HA 4.50 15 HIS B HN 11 ILE B HB 6.00 15 HIS B HN 14 PHE B HB3 6.00 15 HIS B HN 14 PHE B HN 6.00 15 HIS B HN 15 HIS B HA 6.00 15 HIS B HN 15 HIS B QB 5.50 15 HIS B HN 16 GLN B HN 6.00 15 HIS B QB 11 ILE B QG2 8.00 16 GLN B HN 15 HIS B QB 7.00 16 GLN B HN 16 GLN B HA 3.50 16 GLN B HN 16 GLN B QB 6.00 16 GLN B QB 13 VAL B HA 6.00 16 GLN B QB 16 GLN B HA 6.00 16 GLN B QB 16 GLN B QE2 6.50 16 GLN B QG 16 GLN B HA 5.50 16 GLN B QG 16 GLN B HN 5.50 16 GLN B QG 16 GLN B QB 5.50 16 GLN B QG 16 GLN B QE2 7.00 16 GLN B QG 17 TYR B HN 6.00 17 TYR B HA 17 TYR B HN 4.50 17 TYR B HA 20 ARG B HG2 5.00 17 TYR B HA 20 ARG B QD 7.00 17 TYR B HN 13 VAL B QG2 7.00 17 TYR B HN 16 GLN B HN 3.70 17 TYR B HN 16 GLN B QB 4.70 17 TYR B HN 17 TYR B HB2 3.70 17 TYR B HN 19 GLY B HN 6.00 17 TYR B HN 27 LEU B QD2 7.00 17 TYR B HN 35 LEU B QD2 7.00 17 TYR B QD 13 VAL B QG1 7.00 17 TYR B QD 16 GLN B QG 7.00 17 TYR B QD 17 TYR B HA 6.00 17 TYR B QD 17 TYR B HB2 6.00 17 TYR B QD 27 LEU B QD2 7.00 17 TYR B QD 35 LEU B HA 6.00 17 TYR B QD 35 LEU B QD2 7.00 17 TYR B QE 13 VAL B HA 6.00 17 TYR B QE 13 VAL B QG1 7.00 17 TYR B QE 16 GLN B QG 7.00 17 TYR B QE 17 TYR B QD 6.00 17 TYR B QE 34 GLU B QG 7.00 17 TYR B QE 35 LEU B HB3 6.00 17 TYR B QE 35 LEU B QD1 7.00 17 TYR B QE 35 LEU B QD2 7.00 17 TYR B QE 38 ASN B HB2 6.00 18 SER B HA 19 GLY B HN 4.50 18 SER B HN 15 HIS B HA 6.00 18 SER B HN 17 TYR B HA 6.00 18 SER B HN 17 TYR B HN 4.50 18 SER B HN 18 SER B HA 6.00 18 SER B HN 18 SER B QB 4.50 18 SER B HN 19 GLY B HN 6.00 18 SER B HN 27 LEU B QD2 7.00 18 SER B HN 35 LEU B QD2 7.00 19 GLY B HA1 19 GLY B HN 4.50 19 GLY B HA2 19 GLY B HN 4.50 19 GLY B HN 20 ARG B HG2 4.50 19 GLY B HN 20 ARG B HG3 4.50 19 GLY B HN 20 ARG B HN 4.50 20 ARG B HA 20 ARG B HN 4.50 20 ARG B HA 20 ARG B QB 4.50 20 ARG B HA 20 ARG B QD 5.50 20 ARG B HA 20 ARG B QG 5.50 20 ARG B HG2 20 ARG B QD 4.50 20 ARG B HN 19 GLY B HA1 4.50 20 ARG B HN 20 ARG B HG2 3.70 20 ARG B HN 20 ARG B QD 7.00 20 ARG B HN 31 GLU B HG3 4.50 20 ARG B QB 20 ARG B HN 6.00 20 ARG B QD 20 ARG B HG3 6.00 20 ARG B QD 20 ARG B QB 7.00 21 GLU B HB2 21 GLU B HA 4.00 21 GLU B HG2 21 GLU B HA 4.00 21 GLU B HG2 21 GLU B HN 4.50 21 GLU B HG3 21 GLU B HA 4.50 21 GLU B HG3 21 GLU B HN 4.50 21 GLU B HN 20 ARG B HA 3.70 21 GLU B HN 20 ARG B HN 3.50 21 GLU B HN 20 ARG B QB 6.00 21 GLU B HN 20 ARG B QD 7.00 21 GLU B HN 21 GLU B HA 3.50 21 GLU B HN 21 GLU B HB2 5.00 23 ASP B HA 23 ASP B QB 4.50 23 ASP B HA 25 HIS B HN 4.50 24 LYS B HA 19 GLY B HA1 3.50 25 HIS B HA 25 HIS B HB2 4.50 25 HIS B HA 26 LYS B HN 5.00 25 HIS B HA 70 PHE B HB3 4.50 25 HIS B HN 24 LYS B HA 6.00 25 HIS B HN 25 HIS B HB2 4.50 25 HIS B HN 26 LYS B HN 4.50 25 HIS B HN 26 LYS B QG 7.00 26 LYS B HA 26 LYS B HN 5.00 26 LYS B HA 26 LYS B QB 5.50 26 LYS B HA 27 LEU B HN 4.50 26 LYS B HN 18 SER B HA 4.50 26 LYS B HN 25 HIS B HB2 4.50 26 LYS B HN 25 HIS B HB3 4.50 26 LYS B HN 26 LYS B QB 7.00 26 LYS B HN 26 LYS B QG 5.50 26 LYS B QE 26 LYS B QB 5.50 26 LYS B QE 67 GLU B QG 6.50 26 LYS B QG 26 LYS B QB 6.50 27 LEU B HA 27 LEU B HN 4.50 27 LEU B HN 14 PHE B HZ 6.00 27 LEU B HN 26 LYS B HN 6.00 27 LEU B HN 26 LYS B QB 7.00 27 LEU B HN 27 LEU B HB2 4.50 27 LEU B HN 27 LEU B HG 3.70 27 LEU B QD1 27 LEU B HA 7.00 27 LEU B QD1 27 LEU B HB3 5.50 27 LEU B QD1 27 LEU B HN 7.00 27 LEU B QD1 73 PHE B HB3 7.00 27 LEU B QD1 73 PHE B QD 7.00 27 LEU B QD2 14 PHE B QE 7.00 27 LEU B QD2 18 SER B HA 7.00 27 LEU B QD2 27 LEU B HA 7.00 27 LEU B QD2 27 LEU B QD1 6.50 27 LEU B QD2 35 LEU B HB2 7.00 28 LYS B HA 28 LYS B QB 5.00 28 LYS B HN 27 LEU B HA 3.70 28 LYS B HN 27 LEU B QD2 7.00 28 LYS B HN 28 LYS B HA 4.50 28 LYS B HN 28 LYS B QB 6.00 28 LYS B HN 28 LYS B QG 7.00 28 LYS B HN 31 GLU B HG2 4.50 28 LYS B HN 31 GLU B HN 6.00 28 LYS B HN 32 LEU B HB2 6.00 28 LYS B QD 28 LYS B HN 5.50 28 LYS B QD 28 LYS B QB 6.00 28 LYS B QD 28 LYS B QE 6.50 28 LYS B QD 67 GLU B HA 5.50 28 LYS B QE 28 LYS B QG 6.00 29 LYS B HA 32 LEU B HB3 3.50 31 GLU B HA 31 GLU B HG2 3.50 31 GLU B HG3 21 GLU B HA 4.50 31 GLU B HN 21 GLU B HN 6.00 31 GLU B HN 27 LEU B QD1 7.00 31 GLU B HN 27 LEU B QD2 7.00 31 GLU B HN 28 LYS B QG 4.70 31 GLU B HN 30 SER B HA 4.50 31 GLU B HN 31 GLU B HA 3.70 31 GLU B HN 31 GLU B HG2 3.50 31 GLU B HN 31 GLU B HG3 3.70 31 GLU B HN 31 GLU B QB 4.70 31 GLU B HN 32 LEU B HB2 6.00 31 GLU B QB 28 LYS B HN 7.00 32 LEU B HA 27 LEU B QD1 5.50 32 LEU B HA 32 LEU B HB3 5.00 32 LEU B HA 32 LEU B HN 5.00 32 LEU B HA 33 LYS B HN 5.00 32 LEU B HB2 32 LEU B QD1 5.50 32 LEU B HB2 57 MET B QE 6.50 32 LEU B HB3 32 LEU B HB2 4.50 32 LEU B HB3 32 LEU B HN 4.50 32 LEU B HG 68 CYS B HB2 4.00 32 LEU B HN 27 LEU B HA 6.00 32 LEU B HN 27 LEU B QD1 5.50 32 LEU B HN 27 LEU B QD2 7.00 32 LEU B HN 28 LYS B HN 6.00 32 LEU B HN 31 GLU B HN 3.70 32 LEU B HN 31 GLU B QB 5.50 32 LEU B HN 32 LEU B HB2 3.70 32 LEU B QD1 32 LEU B HA 7.00 32 LEU B QD1 32 LEU B HB3 5.50 32 LEU B QD1 32 LEU B HG 5.50 32 LEU B QD1 32 LEU B HN 5.50 32 LEU B QD1 57 MET B QG 8.00 32 LEU B QD2 32 LEU B HA 5.50 32 LEU B QD2 32 LEU B HB3 5.50 32 LEU B QD2 32 LEU B HG 5.50 32 LEU B QD2 32 LEU B HN 5.50 33 LYS B HA 33 LYS B HB3 5.00 33 LYS B HA 33 LYS B QG 5.00 33 LYS B HA 34 GLU B HN 4.50 33 LYS B HA 36 ILE B HB 5.00 33 LYS B HA 36 ILE B HN 5.00 33 LYS B HA 37 ASN B HN 5.00 33 LYS B HA 47 ILE B QD1 5.50 33 LYS B HB3 29 LYS B HA 5.00 33 LYS B HN 31 GLU B HN 6.00 33 LYS B HN 32 LEU B QD1 7.00 33 LYS B HN 33 LYS B HA 3.50 33 LYS B HN 33 LYS B HB3 3.50 33 LYS B HN 33 LYS B QD 7.00 33 LYS B HN 33 LYS B QG 4.70 33 LYS B HN 53 VAL B QG2 7.00 33 LYS B QE 33 LYS B QD 5.50 33 LYS B QE 37 ASN B HD21 5.50 33 LYS B QE 37 ASN B HD22 5.50 33 LYS B QE 53 VAL B QG2 6.50 33 LYS B QG 33 LYS B QD 7.00 34 GLU B HA 34 GLU B HN 4.00 34 GLU B HA 37 ASN B HB2 3.50 34 GLU B HA 38 ASN B QD2 6.50 34 GLU B HN 33 LYS B HB3 3.70 34 GLU B HN 33 LYS B HN 3.70 34 GLU B HN 33 LYS B QD 7.00 34 GLU B HN 33 LYS B QG 5.50 34 GLU B HN 34 GLU B QB 4.70 34 GLU B HN 35 LEU B HB3 4.50 34 GLU B QB 34 GLU B HA 6.00 34 GLU B QG 17 TYR B QD 7.00 34 GLU B QG 34 GLU B HA 5.00 34 GLU B QG 34 GLU B HN 4.50 34 GLU B QG 35 LEU B HB2 5.00 35 LEU B HA 34 GLU B QG 5.00 35 LEU B HA 35 LEU B HN 4.50 35 LEU B HA 35 LEU B QD2 7.00 35 LEU B HA 36 ILE B HN 4.50 35 LEU B HB2 17 TYR B HB2 4.50 35 LEU B HB2 17 TYR B HB3 3.50 35 LEU B HB2 35 LEU B QD1 5.50 35 LEU B HB3 32 LEU B HA 4.50 35 LEU B HB3 35 LEU B HA 4.50 35 LEU B HB3 35 LEU B HN 4.50 35 LEU B HG 27 LEU B QD2 5.50 35 LEU B HN 17 TYR B QE 6.00 35 LEU B HN 34 GLU B HA 3.70 35 LEU B HN 34 GLU B HN 3.70 35 LEU B HN 34 GLU B QB 5.50 35 LEU B QD1 27 LEU B QD2 8.00 35 LEU B QD2 13 VAL B QG2 8.00 35 LEU B QD2 14 PHE B HA 7.00 35 LEU B QD2 35 LEU B HB2 7.00 35 LEU B QD2 35 LEU B HB3 6.00 35 LEU B QD2 35 LEU B HG 6.00 35 LEU B QD2 35 LEU B HN 7.00 35 LEU B QD2 36 ILE B HA 7.00 36 ILE B HA 35 LEU B QD1 5.50 36 ILE B HA 36 ILE B HN 4.50 36 ILE B HA 36 ILE B QG1 5.50 36 ILE B HB 36 ILE B HN 3.50 36 ILE B HN 32 LEU B HA 4.50 36 ILE B HN 35 LEU B HB3 3.50 36 ILE B HN 35 LEU B HN 3.70 36 ILE B HN 37 ASN B HD22 5.00 36 ILE B QD1 32 LEU B HG 5.50 36 ILE B QD1 36 ILE B HA 7.00 36 ILE B QD1 36 ILE B HB 5.50 36 ILE B QD1 36 ILE B HN 6.00 36 ILE B QD1 76 PHE B HB3 7.00 36 ILE B QG1 36 ILE B QG2 6.50 36 ILE B QG2 36 ILE B HA 5.50 36 ILE B QG2 36 ILE B HB 5.00 36 ILE B QG2 37 ASN B HN 5.50 36 ILE B QG2 41 SER B HA 7.00 36 ILE B QG2 76 PHE B HZ 7.00 37 ASN B HA 37 ASN B HN 3.50 37 ASN B HB2 37 ASN B HA 3.50 37 ASN B HB3 37 ASN B HA 3.50 37 ASN B HB3 37 ASN B HB2 3.50 37 ASN B HB3 37 ASN B HN 4.50 37 ASN B HD21 34 GLU B HA 4.50 37 ASN B HD21 37 ASN B HB2 5.00 37 ASN B HD21 37 ASN B HB3 5.00 37 ASN B HD21 47 ILE B HG12 4.50 37 ASN B HD21 47 ILE B QD1 7.00 37 ASN B HD22 34 GLU B HA 6.00 37 ASN B HD22 37 ASN B HB2 5.00 37 ASN B HD22 37 ASN B HB3 5.00 37 ASN B HD22 37 ASN B HD21 3.50 37 ASN B HD22 47 ILE B HG12 6.00 37 ASN B HD22 47 ILE B QD1 7.00 37 ASN B HN 34 GLU B HA 3.70 37 ASN B HN 36 ILE B HA 6.00 37 ASN B HN 36 ILE B HB 3.50 37 ASN B HN 36 ILE B QD1 7.00 37 ASN B HN 37 ASN B HB2 3.50 37 ASN B HN 37 ASN B HD21 4.50 37 ASN B HN 37 ASN B HD22 4.50 37 ASN B HN 47 ILE B HG12 6.00 38 ASN B HA 38 ASN B HB3 3.50 38 ASN B HA 38 ASN B HN 4.00 38 ASN B HA 39 GLU B HN 4.50 38 ASN B HB2 34 GLU B QB 5.50 38 ASN B HB2 38 ASN B HA 4.50 38 ASN B HB2 38 ASN B HB3 4.00 38 ASN B HB3 39 GLU B HN 4.50 38 ASN B HN 34 GLU B HA 6.00 38 ASN B HN 37 ASN B HA 3.70 38 ASN B HN 37 ASN B HN 3.50 38 ASN B HN 38 ASN B HB2 3.50 38 ASN B HN 38 ASN B HB3 3.50 38 ASN B HN 38 ASN B QD2 8.00 38 ASN B HN 39 GLU B QB 5.50 38 ASN B HN 40 LEU B HN 4.50 38 ASN B QD2 34 GLU B QB 9.00 38 ASN B QD2 34 GLU B QG 7.50 38 ASN B QD2 38 ASN B HB2 5.70 38 ASN B QD2 38 ASN B HB3 5.70 39 GLU B HA 39 GLU B HN 4.50 39 GLU B HN 35 LEU B QD2 7.00 39 GLU B HN 36 ILE B QG2 7.00 39 GLU B HN 38 ASN B HB2 4.50 39 GLU B HN 38 ASN B HN 3.70 39 GLU B HN 39 GLU B QB 5.50 39 GLU B HN 39 GLU B QG 4.70 39 GLU B QB 39 GLU B HA 5.50 39 GLU B QG 40 LEU B HN 5.50 40 LEU B HA 40 LEU B HB2 4.50 40 LEU B HA 40 LEU B HG 4.50 40 LEU B HA 41 SER B HN 4.50 40 LEU B HB3 36 ILE B QG2 5.50 40 LEU B HB3 40 LEU B HG 4.50 40 LEU B HG 40 LEU B QD2 4.50 40 LEU B HG 43 PHE B HB3 3.50 40 LEU B HG 44 LEU B HN 4.50 40 LEU B HN 36 ILE B HA 4.50 40 LEU B HN 36 ILE B QG2 6.00 40 LEU B HN 39 GLU B HA 6.00 40 LEU B HN 39 GLU B HN 3.50 40 LEU B HN 40 LEU B HA 3.70 40 LEU B HN 40 LEU B HB2 3.50 40 LEU B HN 40 LEU B QD1 6.00 40 LEU B HN 40 LEU B QD2 6.00 40 LEU B QD1 40 LEU B HA 7.00 40 LEU B QD1 40 LEU B HB2 5.50 40 LEU B QD1 40 LEU B HG 5.00 40 LEU B QD1 43 PHE B HB3 5.50 40 LEU B QD1 43 PHE B HN 7.00 40 LEU B QD1 76 PHE B HZ 5.50 40 LEU B QD1 80 ILE B QD1 8.00 40 LEU B QD2 40 LEU B HA 5.50 40 LEU B QD2 40 LEU B HB2 5.00 41 SER B HB2 41 SER B HA 4.00 41 SER B HB2 41 SER B HN 4.50 41 SER B HB3 41 SER B HA 3.50 41 SER B HB3 41 SER B HN 4.50 41 SER B HN 36 ILE B QG2 7.00 41 SER B HN 39 GLU B HN 6.00 41 SER B HN 40 LEU B HB2 4.50 41 SER B HN 40 LEU B HG 6.00 41 SER B HN 41 SER B HA 3.50 41 SER B HN 42 HIS B HN 4.50 42 HIS B HA 42 HIS B HN 4.50 42 HIS B HN 40 LEU B HA 6.00 42 HIS B HN 40 LEU B HG 6.00 42 HIS B HN 40 LEU B QD1 7.00 42 HIS B HN 41 SER B HB2 6.00 42 HIS B HN 42 HIS B QB 7.00 43 PHE B HA 43 PHE B HB2 4.50 43 PHE B HA 43 PHE B HN 4.50 43 PHE B HB3 40 LEU B QD2 5.50 43 PHE B HN 40 LEU B HG 4.50 43 PHE B HN 42 HIS B HA 4.50 43 PHE B HN 42 HIS B HN 3.70 43 PHE B HN 43 PHE B HB2 3.70 43 PHE B HN 43 PHE B HB3 4.50 43 PHE B QD 40 LEU B HA 6.00 43 PHE B QD 40 LEU B HG 6.00 43 PHE B QD 40 LEU B QD1 7.00 43 PHE B QD 43 PHE B HA 3.50 43 PHE B QD 43 PHE B HB2 6.00 43 PHE B QD 43 PHE B HB3 6.00 43 PHE B QD 43 PHE B HN 6.00 43 PHE B QD 84 CYS B HB2 6.00 43 PHE B QE 43 PHE B HA 6.00 43 PHE B QE 81 THR B HA 3.50 43 PHE B QE 84 CYS B HB3 6.00 44 LEU B HA 44 LEU B HN 4.50 44 LEU B HA 44 LEU B QD2 7.00 44 LEU B HA 45 GLU B HN 3.50 44 LEU B HG 36 ILE B QG2 6.00 44 LEU B HG 44 LEU B HA 4.50 44 LEU B HG 44 LEU B HN 4.50 44 LEU B HG 44 LEU B QD2 6.00 44 LEU B HN 40 LEU B QD1 7.00 44 LEU B HN 41 SER B HA 4.50 44 LEU B HN 42 HIS B HN 6.00 44 LEU B HN 43 PHE B HB2 4.50 44 LEU B HN 43 PHE B HB3 4.50 44 LEU B HN 43 PHE B HN 3.70 44 LEU B HN 43 PHE B QD 6.00 44 LEU B HN 45 GLU B HN 6.00 44 LEU B QB 44 LEU B HA 5.50 44 LEU B QB 44 LEU B HG 5.50 44 LEU B QB 44 LEU B HN 5.50 44 LEU B QB 45 GLU B HN 5.50 44 LEU B QD1 40 LEU B HB2 5.50 44 LEU B QD1 40 LEU B HG 6.00 44 LEU B QD1 43 PHE B HB2 7.00 44 LEU B QD1 43 PHE B HB3 7.00 44 LEU B QD1 43 PHE B HN 7.00 44 LEU B QD1 44 LEU B HA 5.50 44 LEU B QD1 44 LEU B HN 5.50 44 LEU B QD1 44 LEU B QB 7.00 44 LEU B QD1 45 GLU B HN 7.00 44 LEU B QD1 76 PHE B HZ 5.50 44 LEU B QD1 80 ILE B QD1 6.50 44 LEU B QD2 45 GLU B HN 5.50 44 LEU B QD2 80 ILE B QD1 6.50 45 GLU B HA 45 GLU B HN 5.00 45 GLU B HA 46 GLU B HN 5.00 45 GLU B HG3 45 GLU B HN 5.00 45 GLU B HN 44 LEU B HG 3.50 45 GLU B HN 45 GLU B QB 4.70 45 GLU B HN 45 GLU B QG 4.50 45 GLU B QB 45 GLU B HA 4.50 45 GLU B QB 46 GLU B HN 5.00 45 GLU B QG 45 GLU B HA 4.50 46 GLU B HA 46 GLU B HN 5.00 46 GLU B HA 47 ILE B HN 3.50 46 GLU B HG2 46 GLU B HA 4.00 46 GLU B HG2 46 GLU B HN 4.50 46 GLU B HG2 47 ILE B HN 4.50 46 GLU B HG3 46 GLU B HA 3.50 46 GLU B HG3 47 ILE B HN 4.50 46 GLU B HN 47 ILE B HN 4.50 46 GLU B QB 46 GLU B HN 5.00 46 GLU B QB 47 ILE B HN 5.50 47 ILE B HA 47 ILE B HB 5.00 47 ILE B HA 47 ILE B HN 4.50 47 ILE B HA 48 LYS B HN 4.50 47 ILE B HB 37 ASN B HD21 4.50 47 ILE B HB 37 ASN B HD22 4.50 47 ILE B HB 47 ILE B HN 4.00 47 ILE B HB 47 ILE B QD1 6.00 47 ILE B HB 47 ILE B QG2 6.00 47 ILE B HG12 47 ILE B HA 4.50 47 ILE B HG12 47 ILE B HB 5.00 47 ILE B HG12 47 ILE B HG13 5.00 47 ILE B HG12 47 ILE B HN 4.50 47 ILE B HG12 47 ILE B QD1 6.00 47 ILE B HG12 47 ILE B QG2 6.00 47 ILE B HG13 37 ASN B HD22 4.50 47 ILE B HG13 47 ILE B HA 6.00 47 ILE B HG13 47 ILE B HN 4.50 47 ILE B HG13 47 ILE B QD1 6.00 47 ILE B HG13 47 ILE B QG2 6.00 47 ILE B HN 37 ASN B HA 6.00 47 ILE B HN 37 ASN B HD22 6.00 47 ILE B HN 47 ILE B QG2 7.00 47 ILE B QD1 37 ASN B HN 5.50 47 ILE B QD1 46 GLU B HA 5.50 47 ILE B QD1 47 ILE B HN 5.50 47 ILE B QD1 53 VAL B HA 5.50 47 ILE B QG2 33 LYS B QE 8.00 47 ILE B QG2 37 ASN B QD2 8.00 47 ILE B QG2 47 ILE B HA 5.50 47 ILE B QG2 48 LYS B HN 7.00 47 ILE B QG2 50 GLN B HN 7.00 47 ILE B QG2 53 VAL B HB 7.00 47 ILE B QG2 53 VAL B HN 6.00 48 LYS B QD 49 GLU B HA 6.00 48 LYS B QG 48 LYS B QB 7.00 48 LYS B QG 48 LYS B QD 7.00 48 LYS B QG 48 LYS B QE 6.50 49 GLU B HA 48 LYS B HA 5.00 49 GLU B HA 48 LYS B QB 6.00 49 GLU B HA 48 LYS B QE 6.00 49 GLU B HA 48 LYS B QG 5.00 49 GLU B HN 47 ILE B QG2 7.00 49 GLU B HN 48 LYS B HA 3.70 49 GLU B HN 48 LYS B QG 7.00 49 GLU B HN 49 GLU B QG 5.50 49 GLU B HN 50 GLN B HN 6.00 49 GLU B QB 52 VAL B HN 6.00 50 GLN B HA 33 LYS B QD 6.00 50 GLN B HA 52 VAL B HN 4.50 50 GLN B HA 53 VAL B HB 5.00 50 GLN B HA 53 VAL B QG2 5.50 50 GLN B QB 50 GLN B HA 6.00 50 GLN B QE2 50 GLN B QB 6.50 50 GLN B QE2 53 VAL B QG2 8.00 50 GLN B QG 30 SER B HA 5.50 50 GLN B QG 50 GLN B HA 5.50 50 GLN B QG 50 GLN B QB 8.00 50 GLN B QG 50 GLN B QE2 6.50 50 GLN B QG 53 VAL B QG2 8.00 51 GLU B HA 51 GLU B HN 4.50 51 GLU B HN 49 GLU B HA 4.50 51 GLU B HN 49 GLU B QB 6.00 51 GLU B HN 50 GLN B HA 6.00 51 GLU B HN 51 GLU B QB 6.00 51 GLU B HN 52 VAL B QG2 6.00 51 GLU B HN 53 VAL B QG1 6.00 51 GLU B QG 51 GLU B HA 4.50 51 GLU B QG 51 GLU B HN 5.00 51 GLU B QG 52 VAL B HN 5.50 52 VAL B HA 52 VAL B QG1 5.50 52 VAL B HA 53 VAL B HN 4.50 52 VAL B HA 55 LYS B QD 5.50 52 VAL B HA 56 VAL B HN 4.50 52 VAL B HB 49 GLU B HN 4.50 52 VAL B HB 52 VAL B HA 4.50 52 VAL B HB 52 VAL B HN 5.00 52 VAL B HB 52 VAL B QG1 5.00 52 VAL B HB 53 VAL B HN 5.00 52 VAL B HN 51 GLU B HA 3.70 52 VAL B HN 51 GLU B HN 4.50 52 VAL B HN 51 GLU B QB 4.70 52 VAL B HN 52 VAL B HA 3.70 52 VAL B HN 54 ASP B HN 4.50 52 VAL B QG1 49 GLU B QB 6.50 52 VAL B QG1 51 GLU B QB 7.00 52 VAL B QG1 52 VAL B HN 5.50 52 VAL B QG2 49 GLU B HN 7.00 52 VAL B QG2 51 GLU B QG 7.00 52 VAL B QG2 52 VAL B HA 5.00 52 VAL B QG2 52 VAL B HB 6.00 52 VAL B QG2 52 VAL B HN 5.00 52 VAL B QG2 54 ASP B HN 7.00 53 VAL B HA 53 VAL B HN 5.00 53 VAL B HA 53 VAL B QG1 6.00 53 VAL B HA 53 VAL B QG2 6.00 53 VAL B HA 56 VAL B HN 4.00 53 VAL B HA 56 VAL B QG2 6.00 53 VAL B HB 33 LYS B HA 4.00 53 VAL B HB 53 VAL B HA 4.00 53 VAL B HB 53 VAL B QG2 4.50 53 VAL B HN 51 GLU B HA 6.00 53 VAL B HN 53 VAL B HB 3.50 53 VAL B HN 53 VAL B QG2 4.70 53 VAL B HN 54 ASP B HN 3.70 53 VAL B QG1 29 LYS B QB 7.00 53 VAL B QG1 33 LYS B QB 7.00 53 VAL B QG1 33 LYS B QE 8.00 53 VAL B QG1 53 VAL B HB 5.00 53 VAL B QG1 53 VAL B HN 5.00 53 VAL B QG1 54 ASP B HA 7.00 53 VAL B QG2 29 LYS B HB3 4.50 53 VAL B QG2 33 LYS B HB3 5.00 53 VAL B QG2 33 LYS B QD 6.50 53 VAL B QG2 54 ASP B HN 5.50 54 ASP B HA 29 LYS B HB2 3.50 54 ASP B HA 29 LYS B HB3 5.00 54 ASP B HA 57 MET B QB 6.00 54 ASP B HA 57 MET B QE 5.50 54 ASP B HB2 51 GLU B HA 4.00 54 ASP B HB2 54 ASP B HN 4.00 54 ASP B HB2 55 LYS B HN 4.50 54 ASP B HB3 51 GLU B HA 4.50 54 ASP B HB3 54 ASP B HN 4.50 54 ASP B HB3 55 LYS B HN 4.50 54 ASP B HN 29 LYS B HB3 5.00 54 ASP B HN 52 VAL B HA 4.50 54 ASP B HN 53 VAL B HA 3.70 54 ASP B HN 53 VAL B HB 5.00 54 ASP B HN 54 ASP B HA 3.50 55 LYS B HA 55 LYS B HN 4.00 55 LYS B HA 55 LYS B QD 6.00 55 LYS B HA 55 LYS B QG 6.00 55 LYS B HA 58 GLU B HB2 5.00 55 LYS B HA 58 GLU B HB3 5.00 55 LYS B HA 58 GLU B HN 4.50 55 LYS B HB2 55 LYS B HA 4.50 55 LYS B HB2 55 LYS B HN 4.50 55 LYS B HB2 56 VAL B HN 4.50 55 LYS B HB3 52 VAL B HA 5.00 55 LYS B HB3 55 LYS B HA 3.50 55 LYS B HB3 55 LYS B HN 4.00 55 LYS B HB3 56 VAL B HN 4.00 55 LYS B HN 52 VAL B HA 4.50 55 LYS B HN 53 VAL B HN 6.00 55 LYS B HN 54 ASP B HN 3.50 55 LYS B HN 55 LYS B QG 5.50 55 LYS B QD 55 LYS B QE 6.50 55 LYS B QE 59 THR B HB 5.50 55 LYS B QG 55 LYS B QE 6.50 55 LYS B QG 56 VAL B HN 5.50 55 LYS B QG 59 THR B HB 5.50 56 VAL B HA 56 VAL B HN 3.50 56 VAL B HB 56 VAL B HA 4.50 56 VAL B HB 56 VAL B QG1 5.50 56 VAL B HN 55 LYS B HA 3.70 56 VAL B HN 55 LYS B HN 3.70 56 VAL B HN 56 VAL B HB 5.00 56 VAL B QG1 53 VAL B HA 6.00 56 VAL B QG1 56 VAL B HA 6.00 56 VAL B QG1 56 VAL B HN 5.00 56 VAL B QG1 76 PHE B QD 7.00 56 VAL B QG2 55 LYS B HN 7.00 56 VAL B QG2 56 VAL B HB 5.50 56 VAL B QG2 56 VAL B HN 6.00 56 VAL B QG2 56 VAL B QG1 6.50 56 VAL B QG2 57 MET B HA 5.50 56 VAL B QG2 57 MET B HN 6.00 56 VAL B QG2 76 PHE B QE 7.00 57 MET B HA 57 MET B HN 3.50 57 MET B HA 60 LEU B HB2 5.00 57 MET B HN 32 LEU B QD1 5.50 57 MET B HN 56 VAL B HA 3.70 57 MET B HN 56 VAL B QG1 5.50 57 MET B HN 57 MET B QB 4.70 57 MET B HN 57 MET B QG 5.50 57 MET B QE 28 LYS B HA 5.50 57 MET B QE 29 LYS B HA 5.00 57 MET B QE 29 LYS B HN 6.50 57 MET B QE 31 GLU B HN 6.50 57 MET B QE 32 LEU B HN 5.00 57 MET B QE 32 LEU B QD1 6.00 57 MET B QE 57 MET B QG 6.00 57 MET B QE 67 GLU B HA 5.50 57 MET B QE 68 CYS B HA 6.50 57 MET B QE 68 CYS B HN 5.00 58 GLU B HA 58 GLU B HN 3.50 58 GLU B HB2 58 GLU B HN 3.50 58 GLU B HB3 58 GLU B HA 5.00 58 GLU B HB3 58 GLU B HN 3.50 58 GLU B HB3 59 THR B HN 4.50 58 GLU B HG2 58 GLU B HA 3.50 58 GLU B HG2 58 GLU B HN 5.00 58 GLU B HG2 59 THR B HN 4.50 58 GLU B HG3 58 GLU B HA 3.50 58 GLU B HG3 59 THR B HN 4.50 58 GLU B HN 32 LEU B QD1 7.00 58 GLU B HN 54 ASP B HB2 6.00 58 GLU B HN 56 VAL B QG2 7.00 58 GLU B HN 57 MET B HN 3.70 58 GLU B HN 57 MET B QG 4.70 59 THR B HA 59 THR B HN 4.00 59 THR B HA 59 THR B QG2 5.50 59 THR B HB 56 VAL B HA 4.50 59 THR B HB 58 GLU B HB3 6.00 59 THR B HB 59 THR B HA 3.50 59 THR B HB 59 THR B HN 3.50 59 THR B HB 59 THR B QG2 5.50 59 THR B HB 60 LEU B QD2 5.50 59 THR B HN 56 VAL B QG1 7.00 59 THR B HN 58 GLU B HN 3.50 59 THR B HN 59 THR B QG2 7.00 59 THR B QG2 60 LEU B QD2 6.50 59 THR B QG2 61 ASP B HN 7.00 59 THR B QG2 76 PHE B QD 7.00 60 LEU B HA 60 LEU B HN 4.00 60 LEU B HB2 60 LEU B HA 4.50 60 LEU B HB2 60 LEU B HN 4.50 60 LEU B HB2 68 CYS B HB3 4.50 60 LEU B HB3 60 LEU B HA 4.50 60 LEU B HB3 60 LEU B HN 4.50 60 LEU B HB3 61 ASP B HN 4.50 60 LEU B HG 60 LEU B HA 4.50 60 LEU B HG 60 LEU B HN 4.50 60 LEU B HN 57 MET B HA 6.00 60 LEU B HN 59 THR B HA 3.70 60 LEU B HN 59 THR B QG2 7.00 60 LEU B HN 60 LEU B QD1 7.00 60 LEU B HN 61 ASP B HB3 4.50 60 LEU B HN 62 SER B HN 6.00 60 LEU B QD1 60 LEU B HA 7.00 60 LEU B QD1 60 LEU B HB2 5.50 60 LEU B QD1 60 LEU B HB3 5.50 60 LEU B QD1 60 LEU B HG 7.00 60 LEU B QD1 60 LEU B QD2 5.50 60 LEU B QD1 76 PHE B HB2 7.00 60 LEU B QD2 60 LEU B HA 5.50 60 LEU B QD2 60 LEU B HB3 5.50 60 LEU B QD2 60 LEU B HG 5.50 60 LEU B QD2 60 LEU B HN 5.50 60 LEU B QD2 61 ASP B HN 5.50 61 ASP B HA 62 SER B HN 4.00 61 ASP B HN 60 LEU B HA 3.50 61 ASP B HN 60 LEU B HB2 3.70 61 ASP B HN 60 LEU B HN 3.50 61 ASP B HN 61 ASP B HA 3.50 61 ASP B HN 61 ASP B HB2 3.50 61 ASP B HN 62 SER B HN 4.50 62 SER B HA 63 ASP B HN 4.50 62 SER B HA 64 GLY B HN 4.50 62 SER B HN 62 SER B HA 3.70 62 SER B HN 63 ASP B HN 3.70 62 SER B HN 72 GLU B HG3 3.70 62 SER B QB 62 SER B HA 3.50 62 SER B QB 62 SER B HN 4.00 62 SER B QB 63 ASP B HN 4.50 62 SER B QB 72 GLU B HG2 4.50 63 ASP B HA 63 ASP B HN 4.50 63 ASP B HA 64 GLY B HN 4.50 63 ASP B HB2 63 ASP B HA 4.50 63 ASP B HB3 63 ASP B HA 4.50 63 ASP B HB3 63 ASP B HN 4.50 63 ASP B HB3 65 ASP B HB2 3.50 64 GLY B HA1 65 ASP B HN 4.50 64 GLY B HA2 65 ASP B HN 4.50 64 GLY B HN 62 SER B HN 6.00 64 GLY B HN 63 ASP B HB2 3.70 64 GLY B HN 63 ASP B HB3 4.50 64 GLY B HN 63 ASP B HN 3.50 64 GLY B HN 64 GLY B HA1 3.50 64 GLY B HN 64 GLY B HA2 3.50 64 GLY B HN 66 GLY B HN 4.50 65 ASP B HB2 65 ASP B HA 4.00 65 ASP B HB3 63 ASP B HB3 4.00 65 ASP B HB3 65 ASP B HA 4.50 65 ASP B HN 64 GLY B HN 3.50 65 ASP B HN 65 ASP B HA 3.50 65 ASP B HN 65 ASP B HB2 3.50 65 ASP B HN 65 ASP B HB3 3.50 65 ASP B HN 66 GLY B QA 4.50 65 ASP B HN 67 GLU B HN 4.50 66 GLY B HN 65 ASP B HN 3.70 66 GLY B HN 66 GLY B HA1 3.70 66 GLY B HN 66 GLY B HA2 3.70 66 GLY B HN 67 GLU B HN 4.50 66 GLY B QA 66 GLY B HN 4.50 66 GLY B QA 67 GLU B HN 4.50 67 GLU B HB2 27 LEU B HN 4.50 67 GLU B HB2 67 GLU B HA 4.00 67 GLU B HN 26 LYS B QB 6.00 67 GLU B HN 28 LYS B QD 6.00 67 GLU B HN 28 LYS B QE 7.00 67 GLU B HN 28 LYS B QG 6.00 67 GLU B HN 66 GLY B HA1 3.50 67 GLU B HN 66 GLY B HA2 3.50 67 GLU B HN 67 GLU B HA 3.50 67 GLU B HN 67 GLU B HB3 3.50 68 CYS B HA 69 ASP B HN 4.00 68 CYS B HB2 27 LEU B HB3 5.00 68 CYS B HB2 32 LEU B HB2 5.00 68 CYS B HB2 32 LEU B QD2 5.50 68 CYS B HB2 57 MET B QB 5.50 68 CYS B HB2 68 CYS B HA 4.50 68 CYS B HB2 68 CYS B HB3 4.50 68 CYS B HB2 68 CYS B HN 4.50 68 CYS B HB3 32 LEU B QD2 7.00 68 CYS B HB3 57 MET B QB 5.50 68 CYS B HB3 68 CYS B HA 4.50 68 CYS B HB3 68 CYS B HN 4.50 68 CYS B HN 32 LEU B HG 6.00 68 CYS B HN 67 GLU B HA 3.70 68 CYS B HN 67 GLU B HN 6.00 68 CYS B HN 68 CYS B HA 6.00 69 ASP B HA 70 PHE B HN 4.50 69 ASP B HB3 69 ASP B HB2 4.50 69 ASP B HN 69 ASP B HB3 6.00 69 ASP B HN 71 GLN B QG 7.00 69 ASP B HN 72 GLU B HG3 4.50 69 ASP B HN 73 PHE B HB3 6.00 69 ASP B HN 73 PHE B HN 6.00 70 PHE B HA 70 PHE B HB2 4.50 70 PHE B HB3 14 PHE B HZ 4.50 70 PHE B HN 14 PHE B HZ 6.00 70 PHE B HN 69 ASP B HB2 4.50 70 PHE B HN 69 ASP B HB3 4.50 70 PHE B HN 70 PHE B HA 6.00 70 PHE B HN 70 PHE B HB3 4.50 70 PHE B HN 70 PHE B QD 6.00 70 PHE B HN 71 GLN B HN 6.00 70 PHE B HZ 11 ILE B HA 6.00 70 PHE B HZ 11 ILE B QG1 5.50 70 PHE B HZ 74 MET B QG 7.00 70 PHE B QD 70 PHE B HA 6.00 70 PHE B QE 11 ILE B QD1 7.00 70 PHE B QE 11 ILE B QG1 7.00 70 PHE B QE 11 ILE B QG2 7.00 70 PHE B QE 14 PHE B HB3 6.00 70 PHE B QE 70 PHE B HZ 4.50 70 PHE B QE 74 MET B QG 7.00 71 GLN B HA 71 GLN B HB2 3.50 71 GLN B HA 71 GLN B HN 4.50 71 GLN B HA 74 MET B HN 4.50 71 GLN B HB2 71 GLN B HN 4.50 71 GLN B HB2 72 GLU B HN 4.50 71 GLN B HB3 71 GLN B HA 5.00 71 GLN B HB3 71 GLN B HN 4.50 71 GLN B HB3 72 GLU B HN 4.50 71 GLN B HE22 71 GLN B HE21 3.50 71 GLN B QG 71 GLN B HA 5.50 71 GLN B QG 71 GLN B HE21 5.50 71 GLN B QG 71 GLN B HE22 5.50 71 GLN B QG 71 GLN B HN 5.50 71 GLN B QG 71 GLN B QB 5.50 71 GLN B QG 72 GLU B HN 5.50 72 GLU B HA 60 LEU B HB2 5.00 72 GLU B HA 72 GLU B HN 5.00 72 GLU B HA 73 PHE B HN 5.00 72 GLU B HA 75 ALA B HN 4.50 72 GLU B HA 75 ALA B QB 5.50 72 GLU B HG2 62 SER B HN 4.00 72 GLU B HG3 62 SER B QB 4.50 72 GLU B HG3 72 GLU B HN 4.50 72 GLU B HN 14 PHE B HZ 6.00 72 GLU B HN 68 CYS B HA 6.00 72 GLU B HN 69 ASP B HN 4.50 72 GLU B HN 70 PHE B HA 6.00 72 GLU B HN 71 GLN B HN 4.50 72 GLU B HN 72 GLU B HG2 3.70 72 GLU B HN 72 GLU B QB 5.50 72 GLU B QB 68 CYS B HA 7.00 72 GLU B QB 69 ASP B HN 7.00 72 GLU B QB 72 GLU B HA 5.00 73 PHE B HA 73 PHE B HB3 4.50 73 PHE B HA 73 PHE B HN 4.50 73 PHE B HA 76 PHE B HN 4.50 73 PHE B HB2 27 LEU B QD1 5.50 73 PHE B HB2 73 PHE B HA 4.50 73 PHE B HB2 73 PHE B QD 4.50 73 PHE B HB3 73 PHE B QD 4.50 73 PHE B HN 27 LEU B QD1 7.00 73 PHE B HN 71 GLN B HN 4.50 73 PHE B HN 72 GLU B HG2 4.50 73 PHE B HN 72 GLU B QB 5.50 73 PHE B HN 73 PHE B HB2 3.70 73 PHE B HN 73 PHE B HB3 3.70 73 PHE B HN 73 PHE B QD 6.00 73 PHE B HZ 14 PHE B HB2 6.00 73 PHE B HZ 14 PHE B HB3 6.00 73 PHE B HZ 35 LEU B QD1 7.00 73 PHE B HZ 35 LEU B QD2 4.50 73 PHE B HZ 77 VAL B QG1 7.00 73 PHE B QD 73 PHE B HA 6.00 73 PHE B QD 77 VAL B QG2 7.00 73 PHE B QE 27 LEU B QD2 7.00 74 MET B HA 73 PHE B QD 6.00 74 MET B HA 73 PHE B QE 6.00 74 MET B HA 74 MET B HN 4.50 74 MET B HA 74 MET B QB 4.50 74 MET B HA 77 VAL B HN 4.50 74 MET B HA 77 VAL B QG1 6.00 74 MET B HN 73 PHE B HB3 4.50 74 MET B HN 73 PHE B HN 4.50 74 MET B HN 73 PHE B QD 6.00 74 MET B HN 74 MET B QB 5.50 74 MET B HN 74 MET B QG 5.50 74 MET B QE 10 LEU B QD1 6.50 74 MET B QE 73 PHE B QE 6.50 74 MET B QE 74 MET B QG 7.50 74 MET B QE 77 VAL B QG1 6.50 74 MET B QE 77 VAL B QG2 6.50 75 ALA B HA 75 ALA B HN 4.00 75 ALA B HA 78 ALA B HN 4.50 75 ALA B HN 71 GLN B HA 6.00 75 ALA B HN 73 PHE B HN 6.00 75 ALA B HN 74 MET B HA 3.50 75 ALA B HN 74 MET B HN 3.70 75 ALA B HN 74 MET B QB 7.00 75 ALA B HN 74 MET B QG 7.00 75 ALA B HN 75 ALA B QB 5.50 75 ALA B HN 76 PHE B HA 6.00 75 ALA B HN 76 PHE B HB2 6.00 75 ALA B HN 77 VAL B HN 4.50 75 ALA B QB 60 LEU B QD2 7.50 75 ALA B QB 72 GLU B HN 6.50 75 ALA B QB 75 ALA B HA 4.50 75 ALA B QB 76 PHE B HB2 6.50 75 ALA B QB 79 MET B QE 7.00 76 PHE B HA 76 PHE B HN 4.50 76 PHE B HA 77 VAL B HN 4.50 76 PHE B HA 79 MET B HN 4.50 76 PHE B HB2 60 LEU B QD2 7.00 76 PHE B HB2 76 PHE B HN 4.50 76 PHE B HB2 76 PHE B QD 6.00 76 PHE B HB3 60 LEU B QD2 7.00 76 PHE B HB3 76 PHE B HN 4.50 76 PHE B HN 60 LEU B QD1 7.00 76 PHE B HN 60 LEU B QD2 7.00 76 PHE B HN 75 ALA B HA 3.70 76 PHE B HN 75 ALA B QB 6.50 76 PHE B HN 76 PHE B QD 6.00 76 PHE B HN 77 VAL B HB 4.50 76 PHE B HN 77 VAL B QG2 7.00 76 PHE B HZ 36 ILE B HA 6.00 76 PHE B HZ 36 ILE B QD1 4.50 76 PHE B HZ 36 ILE B QG1 7.00 76 PHE B HZ 40 LEU B QD2 4.50 76 PHE B HZ 44 LEU B QQD 5.50 76 PHE B HZ 80 ILE B QD1 7.00 76 PHE B QD 56 VAL B HB 6.00 76 PHE B QD 60 LEU B QD1 7.00 76 PHE B QD 60 LEU B QD2 6.00 76 PHE B QD 76 PHE B HA 4.50 76 PHE B QD 76 PHE B HB3 6.00 76 PHE B QD 77 VAL B HB 6.00 76 PHE B QE 36 ILE B QD1 7.00 76 PHE B QE 36 ILE B QG1 7.00 76 PHE B QE 44 LEU B QQD 5.50 76 PHE B QE 56 VAL B HB 6.00 77 VAL B HA 77 VAL B HN 4.50 77 VAL B HA 77 VAL B QG1 5.50 77 VAL B HA 80 ILE B HN 4.50 77 VAL B HB 10 LEU B QD2 6.00 77 VAL B HB 77 VAL B HN 4.00 77 VAL B HB 78 ALA B QB 6.50 77 VAL B HN 76 PHE B HB2 4.50 77 VAL B HN 76 PHE B HB3 4.50 77 VAL B HN 76 PHE B HN 3.70 77 VAL B HN 76 PHE B QD 6.00 77 VAL B HN 77 VAL B QG1 7.00 77 VAL B QG1 10 LEU B QD2 7.00 77 VAL B QG1 77 VAL B HB 7.00 77 VAL B QG1 78 ALA B HN 7.00 77 VAL B QG2 10 LEU B QD2 7.00 77 VAL B QG2 73 PHE B HZ 7.00 77 VAL B QG2 73 PHE B QE 5.50 77 VAL B QG2 74 MET B HA 7.00 77 VAL B QG2 76 PHE B QD 7.00 77 VAL B QG2 77 VAL B HA 7.00 77 VAL B QG2 77 VAL B HB 7.00 77 VAL B QG2 77 VAL B HN 5.50 77 VAL B QG2 77 VAL B QG1 8.00 78 ALA B HA 78 ALA B HN 4.50 78 ALA B HA 78 ALA B QB 5.00 78 ALA B HN 77 VAL B HA 6.00 78 ALA B HN 77 VAL B HB 4.50 78 ALA B HN 77 VAL B QG2 7.00 78 ALA B HN 78 ALA B QB 6.50 78 ALA B HN 79 MET B HN 6.00 78 ALA B QB 79 MET B HN 5.00 78 ALA B QB 79 MET B QE 7.00 79 MET B HA 79 MET B HB3 5.00 79 MET B HB2 79 MET B HA 4.00 79 MET B HB2 79 MET B HN 4.00 79 MET B HB2 80 ILE B HG12 4.50 79 MET B HB2 80 ILE B HN 4.50 79 MET B HB3 79 MET B HN 4.00 79 MET B HB3 80 ILE B HN 4.50 79 MET B HG2 79 MET B HA 4.50 79 MET B HG2 79 MET B HG3 3.50 79 MET B HG2 79 MET B HN 3.50 79 MET B HG2 79 MET B QB 4.50 79 MET B HG2 79 MET B QE 5.00 79 MET B HG2 80 ILE B HN 4.50 79 MET B HG3 79 MET B HA 4.50 79 MET B HG3 79 MET B HB3 3.50 79 MET B HG3 79 MET B HN 4.00 79 MET B HN 77 VAL B QG2 7.00 79 MET B HN 79 MET B HA 3.50 79 MET B HN 80 ILE B HG12 4.50 79 MET B QE 59 THR B QG2 6.00 79 MET B QE 60 LEU B QD2 6.00 79 MET B QE 76 PHE B HA 6.50 79 MET B QE 76 PHE B QD 5.00 79 MET B QE 79 MET B HA 6.50 79 MET B QE 79 MET B HB3 5.00 79 MET B QE 79 MET B HG3 5.00 79 MET B QE 79 MET B HN 5.00 80 ILE B HA 80 ILE B HN 4.50 80 ILE B HA 81 THR B HN 4.50 80 ILE B HA 83 ALA B HN 4.50 80 ILE B HB 77 VAL B HA 4.50 80 ILE B HB 77 VAL B QG2 5.50 80 ILE B HB 80 ILE B HA 4.50 80 ILE B HB 80 ILE B HG12 4.00 80 ILE B HB 80 ILE B HN 4.00 80 ILE B HB 81 THR B HN 4.50 80 ILE B HG12 77 VAL B HA 4.50 80 ILE B HG12 80 ILE B HA 4.50 80 ILE B HG12 80 ILE B HN 6.00 80 ILE B HG12 80 ILE B QD1 5.50 80 ILE B HN 77 VAL B QG2 7.00 80 ILE B HN 79 MET B HA 3.70 80 ILE B HN 79 MET B HG3 4.50 80 ILE B HN 79 MET B HN 3.70 80 ILE B HN 80 ILE B QG2 7.00 80 ILE B QD1 40 LEU B HB3 7.00 80 ILE B QD1 40 LEU B HG 5.50 80 ILE B QD1 76 PHE B HB2 7.00 80 ILE B QD1 76 PHE B HB3 7.00 80 ILE B QD1 76 PHE B QD 6.00 80 ILE B QD1 76 PHE B QE 7.00 80 ILE B QD1 79 MET B HG3 5.50 80 ILE B QD1 80 ILE B HA 5.50 80 ILE B QD1 80 ILE B HB 7.00 80 ILE B QD1 80 ILE B HN 5.50 80 ILE B QD1 80 ILE B QG2 8.00 80 ILE B QG2 43 PHE B QD 7.00 80 ILE B QG2 80 ILE B HA 7.00 80 ILE B QG2 80 ILE B HB 5.50 80 ILE B QG2 80 ILE B HG12 5.00 80 ILE B QG2 81 THR B HN 7.00 81 THR B HA 81 THR B HB 4.50 81 THR B HA 82 THR B HN 4.50 81 THR B HB 81 THR B HN 4.50 81 THR B HB 81 THR B QG2 7.00 81 THR B HB 82 THR B HN 4.50 81 THR B HN 77 VAL B HA 6.00 81 THR B HN 77 VAL B QG1 7.00 81 THR B HN 78 ALA B HA 4.50 81 THR B HN 80 ILE B HG13 6.00 81 THR B HN 80 ILE B HN 4.50 81 THR B HN 81 THR B HA 6.00 81 THR B QG2 81 THR B HA 5.50 81 THR B QG2 81 THR B HN 7.00 81 THR B QG2 82 THR B HN 7.00 82 THR B HA 82 THR B HB 4.50 82 THR B HA 82 THR B HN 4.50 82 THR B HB 82 THR B HN 4.50 82 THR B HN 81 THR B HN 4.50 82 THR B HN 82 THR B QG2 7.00 82 THR B QG2 82 THR B HA 5.50 82 THR B QG2 83 ALA B HA 6.00 83 ALA B HA 83 ALA B HN 5.00 83 ALA B HA 86 GLU B HN 5.00 83 ALA B HN 82 THR B HA 3.70 83 ALA B HN 82 THR B HN 3.50 83 ALA B HN 82 THR B QG2 7.00 83 ALA B HN 84 CYS B HB2 6.00 83 ALA B QB 80 ILE B HA 5.00 83 ALA B QB 80 ILE B QG2 6.00 83 ALA B QB 83 ALA B HA 4.50 83 ALA B QB 83 ALA B HN 5.00 84 CYS B HA 84 CYS B HN 4.50 84 CYS B HA 87 PHE B QB 6.00 84 CYS B HB2 81 THR B HA 5.00 84 CYS B HB2 84 CYS B HA 5.00 84 CYS B HB2 85 HIS B HN 4.50 84 CYS B HB3 81 THR B HA 5.00 84 CYS B HB3 84 CYS B HA 5.00 84 CYS B HB3 84 CYS B HB2 4.50 84 CYS B HB3 85 HIS B HN 4.50 84 CYS B HN 81 THR B HA 4.50 84 CYS B HN 83 ALA B HN 3.70 84 CYS B HN 83 ALA B QB 6.50 84 CYS B HN 84 CYS B HB2 4.50 84 CYS B HN 84 CYS B HB3 4.50 85 HIS B HN 85 HIS B HA 4.50 85 HIS B HN 85 HIS B HD2 5.00 85 HIS B HN 87 PHE B HN 4.50 86 GLU B HA 86 GLU B HN 5.00 86 GLU B HA 87 PHE B HN 5.00 86 GLU B HA 89 GLU B HN 5.00 86 GLU B HA 89 GLU B QG 6.00 86 GLU B HN 85 HIS B HN 4.50 86 GLU B HN 86 GLU B QB 5.50 86 GLU B HN 86 GLU B QG 7.00 86 GLU B QB 87 PHE B HN 5.50 87 PHE B HN 87 PHE B HA 6.00 87 PHE B QB 87 PHE B HA 5.50 87 PHE B QB 87 PHE B HN 5.50 87 PHE B QB 87 PHE B QD 5.50 87 PHE B QD 87 PHE B HA 4.50 87 PHE B QD 91 GLU B HA 6.00 88 PHE B HA 88 PHE B HB2 3.50 88 PHE B HB2 88 PHE B HB3 4.00 88 PHE B HN 85 HIS B HA 4.50 88 PHE B HN 88 PHE B HA 3.70 88 PHE B HN 88 PHE B HB2 3.50 88 PHE B HN 88 PHE B HB3 3.70 88 PHE B HN 88 PHE B QD 6.00 88 PHE B HN 89 GLU B QG 7.00 88 PHE B QD 85 HIS B HA 6.00 88 PHE B QD 87 PHE B QB 7.00 88 PHE B QD 88 PHE B HA 6.00 88 PHE B QD 88 PHE B HB2 6.00 88 PHE B QD 88 PHE B HB3 6.00 88 PHE B QD 89 GLU B HA 6.00 89 GLU B HA 89 GLU B HB3 3.50 89 GLU B HN 88 PHE B HA 3.70 89 GLU B HN 88 PHE B HB2 4.50 89 GLU B HN 89 GLU B HA 3.70 89 GLU B HN 89 GLU B HB2 3.50 89 GLU B HN 89 GLU B HB3 3.70 89 GLU B HN 90 HIS B QB 5.50 90 HIS B HA 90 HIS B HD2 3.50 90 HIS B HA 90 HIS B QB 6.00 90 HIS B HN 91 GLU B HN 4.50 90 HIS B QB 90 HIS B HD2 5.00 91 GLU B HA 91 GLU B HN 4.50 91 GLU B HB2 91 GLU B HN 3.50 91 GLU B HN 90 HIS B HA 3.50 91 GLU B HN 90 HIS B QB 5.50 91 GLU B HN 91 GLU B HB3 3.70 91 GLU B QG 91 GLU B HN 5.00 ## (NDR(62-87) peptide) CHAIN C INTRAMOLECULAR DISTANCE RESTRAINTS 63 ARG C HN 63 ARG C HA 3.50 63 ARG C HN 64 LEU C QB 6.88 64 LEU C HN 64 LEU C HA 3.50 64 LEU C HN 64 LEU C QB 5.38 64 LEU C HN 66 ARG C HB3 6.00 64 LEU C HA 64 LEU C QQD 8.13 64 LEU C QB 65 ARG C HN 6.88 65 ARG C HN 65 ARG C HA 4.50 66 ARG C HN 66 ARG C HB2 4.50 66 ARG C HN 66 ARG C HB3 4.50 66 ARG C HA 66 ARG C HB2 3.50 66 ARG C HA 66 ARG C HB3 3.50 66 ARG C HA 66 ARG C QG 4.38 66 ARG C HB2 66 ARG C QD 4.38 66 ARG C HB2 67 SER C HN 6.00 66 ARG C HB3 66 ARG C QD 4.38 66 ARG C QG 66 ARG C QD 5.25 67 SER C HA 67 SER C HB2 4.50 67 SER C HA 67 SER C HB3 4.50 68 ALA C HN 68 ALA C QB 7.03 68 ALA C HA 68 ALA C QB 4.53 69 HIS C HA 69 HIS C HB2 3.50 69 HIS C HA 69 HIS C HB3 3.50 70 ALA C HN 70 ALA C QB 7.03 70 ALA C HA 70 ALA C QB 4.53 70 ALA C QB 71 ARG C HE 7.03 71 ARG C HN 71 ARG C HB2 4.50 71 ARG C HN 71 ARG C HB3 4.50 71 ARG C HA 71 ARG C HB2 3.50 71 ARG C HA 71 ARG C HD3 3.50 71 ARG C HD2 71 ARG C HE 4.50 71 ARG C HD3 71 ARG C HE 4.50 72 LYS C QB 73 GLU C HN 6.88 72 LYS C QG 72 LYS C QE 7.75 72 LYS C QG 76 PHE C QD 9.00 72 LYS C QG 76 PHE C QE 9.00 72 LYS C QG 76 PHE C HZ 6.88 72 LYS C QD 72 LYS C QE 6.25 73 GLU C HN 73 GLU C HA 3.50 73 GLU C HN 73 GLU C HB2 4.50 73 GLU C HN 73 GLU C HB3 6.00 73 GLU C HN 73 GLU C QG 6.88 73 GLU C HA 73 GLU C HB2 3.50 73 GLU C HA 73 GLU C HB3 3.50 73 GLU C HA 73 GLU C QG 4.38 73 GLU C HA 76 PHE C QD 6.62 73 GLU C HA 76 PHE C QE 8.12 73 GLU C HB2 73 GLU C QG 4.38 73 GLU C HB3 73 GLU C QG 4.38 73 GLU C HB3 74 THR C HN 6.00 73 GLU C QG 74 THR C HN 6.88 74 THR C HN 74 THR C HA 3.50 74 THR C HN 74 THR C HB 3.50 74 THR C HN 74 THR C QG2 7.03 74 THR C HA 74 THR C QG2 4.53 74 THR C HA 77 LEU C QQD 6.63 74 THR C HB 74 THR C QG2 4.53 75 GLU C HN 75 GLU C QB 6.88 75 GLU C HN 75 GLU C HG3 6.00 75 GLU C HA 75 GLU C HB2 3.50 75 GLU C HA 75 GLU C HG2 4.50 75 GLU C HA 75 GLU C HG3 4.50 75 GLU C QB 75 GLU C HG3 4.38 75 GLU C QB 76 PHE C HN 6.88 75 GLU C QB 76 PHE C QD 9.00 75 GLU C HG2 76 PHE C QD 8.12 75 GLU C HG2 76 PHE C QE 8.12 75 GLU C HG2 76 PHE C HZ 6.00 76 PHE C HN 76 PHE C HB2 4.50 76 PHE C HN 76 PHE C QD 6.62 76 PHE C HA 76 PHE C QD 5.62 76 PHE C HA 76 PHE C QE 8.12 76 PHE C HB2 76 PHE C QD 5.62 76 PHE C HB2 76 PHE C QE 8.12 76 PHE C QD 76 PHE C QE 7.74 76 PHE C QD 77 LEU C QB 9.00 76 PHE C QD 77 LEU C QQD 10.25 76 PHE C QD 79 LEU C QQD 10.25 76 PHE C QE 77 LEU C QB 9.00 76 PHE C QE 77 LEU C QQD 10.25 76 PHE C QE 79 LEU C QQD 10.25 77 LEU C HN 77 LEU C HA 4.50 77 LEU C HN 77 LEU C QB 6.88 77 LEU C HN 77 LEU C HG 6.00 77 LEU C HA 77 LEU C QQD 6.63 77 LEU C HA 78 ARG C HN 4.50 77 LEU C HG 77 LEU C QQD 5.63 78 ARG C HN 78 ARG C HA 6.00 78 ARG C HA 78 ARG C HD3 4.50 79 LEU C HA 79 LEU C QB 6.88 79 LEU C HA 79 LEU C QQD 8.13 79 LEU C HG 79 LEU C QQD 5.63 80 LYS C HN 80 LYS C HA 4.50 80 LYS C HN 80 LYS C QB 6.88 80 LYS C HN 80 LYS C QD 6.88 80 LYS C HA 80 LYS C QD 4.38 80 LYS C QB 80 LYS C QG 5.25 80 LYS C QB 80 LYS C QE 7.75 80 LYS C QG 80 LYS C QD 5.25 80 LYS C QG 80 LYS C QE 6.25 80 LYS C QD 80 LYS C QE 6.25 81 ARG C HN 84 LEU C QQD 8.13 82 THR C HA 82 THR C QG2 4.53 82 THR C QG2 83 ARG C HN 7.03 83 ARG C HN 83 ARG C HA 3.50 83 ARG C HN 83 ARG C HB3 3.50 83 ARG C HN 83 ARG C QG 5.38 83 ARG C HN 84 LEU C QQD 8.13 83 ARG C HA 86 LEU C HN 4.50 83 ARG C HB2 84 LEU C HN 4.50 83 ARG C HB3 84 LEU C HN 4.50 83 ARG C QD 86 LEU C QQD 9.01 84 LEU C HN 84 LEU C HA 3.50 84 LEU C HN 84 LEU C QB 4.38 84 LEU C HN 84 LEU C QQD 8.13 84 LEU C HA 84 LEU C QQD 6.63 85 GLY C HN 85 GLY C QA 5.38 85 GLY C HN 86 LEU C HN 4.50 85 GLY C QA 86 LEU C HN 5.38 86 LEU C HN 86 LEU C HA 3.50 86 LEU C HN 86 LEU C QB 4.38 86 LEU C HN 86 LEU C QQD 8.13 86 LEU C HA 86 LEU C QQD 6.63 86 LEU C HG 86 LEU C QQD 5.63 ## (NDR(62-87) peptide) CHAIN D INTRAMOLECULAR DISTANCE RESTRAINTS 63 ARG D HN 63 ARG D HA 3.50 63 ARG D HN 64 LEU D QB 6.88 64 LEU D HN 64 LEU D HA 3.50 64 LEU D HN 64 LEU D QB 5.38 64 LEU D HN 66 ARG D HB3 6.00 64 LEU D HA 64 LEU D QQD 8.13 64 LEU D QB 65 ARG D HN 6.88 65 ARG D HN 65 ARG D HA 4.50 66 ARG D HN 66 ARG D HB2 4.50 66 ARG D HN 66 ARG D HB3 4.50 66 ARG D HA 66 ARG D HB2 3.50 66 ARG D HA 66 ARG D HB3 3.50 66 ARG D HA 66 ARG D QG 4.38 66 ARG D HB2 66 ARG D QD 4.38 66 ARG D HB2 67 SER D HN 6.00 66 ARG D HB3 66 ARG D QD 4.38 66 ARG D QG 66 ARG D QD 5.25 67 SER D HA 67 SER D HB2 4.50 67 SER D HA 67 SER D HB3 4.50 68 ALA D HN 68 ALA D QB 7.03 68 ALA D HA 68 ALA D QB 4.53 69 HIS D HA 69 HIS D HB2 3.50 69 HIS D HA 69 HIS D HB3 3.50 70 ALA D HN 70 ALA D QB 7.03 70 ALA D HA 70 ALA D QB 4.53 70 ALA D QB 71 ARG D HE 7.03 71 ARG D HN 71 ARG D HB2 4.50 71 ARG D HN 71 ARG D HB3 4.50 71 ARG D HA 71 ARG D HB2 3.50 71 ARG D HA 71 ARG D HD3 3.50 71 ARG D HD2 71 ARG D HE 4.50 71 ARG D HD3 71 ARG D HE 4.50 72 LYS D QB 73 GLU D HN 6.88 72 LYS D QG 72 LYS D QE 7.75 72 LYS D QG 76 PHE D QD 9.00 72 LYS D QG 76 PHE D QE 9.00 72 LYS D QG 76 PHE D HZ 6.88 72 LYS D QD 72 LYS D QE 6.25 73 GLU D HN 73 GLU D HA 3.50 73 GLU D HN 73 GLU D HB2 4.50 73 GLU D HN 73 GLU D HB3 6.00 73 GLU D HN 73 GLU D QG 6.88 73 GLU D HA 73 GLU D HB2 3.50 73 GLU D HA 73 GLU D HB3 3.50 73 GLU D HA 73 GLU D QG 4.38 73 GLU D HA 76 PHE D QD 6.62 73 GLU D HA 76 PHE D QE 8.12 73 GLU D HB2 73 GLU D QG 4.38 73 GLU D HB3 73 GLU D QG 4.38 73 GLU D HB3 74 THR D HN 6.00 73 GLU D QG 74 THR D HN 6.88 74 THR D HN 74 THR D HA 3.50 74 THR D HN 74 THR D HB 3.50 74 THR D HN 74 THR D QG2 7.03 74 THR D HA 74 THR D QG2 4.53 74 THR D HA 77 LEU D QQD 6.63 74 THR D HB 74 THR D QG2 4.53 75 GLU D HN 75 GLU D QB 6.88 75 GLU D HN 75 GLU D HG3 6.00 75 GLU D HA 75 GLU D HB2 3.50 75 GLU D HA 75 GLU D HG2 4.50 75 GLU D HA 75 GLU D HG3 4.50 75 GLU D QB 75 GLU D HG3 4.38 75 GLU D QB 76 PHE D HN 6.88 75 GLU D QB 76 PHE D QD 9.00 75 GLU D HG2 76 PHE D QD 8.12 75 GLU D HG2 76 PHE D QE 8.12 75 GLU D HG2 76 PHE D HZ 6.00 76 PHE D HN 76 PHE D HB2 4.50 76 PHE D HN 76 PHE D QD 6.62 76 PHE D HA 76 PHE D QD 5.62 76 PHE D HA 76 PHE D QE 8.12 76 PHE D HB2 76 PHE D QD 5.62 76 PHE D HB2 76 PHE D QE 8.12 76 PHE D QD 76 PHE D QE 7.74 76 PHE D QD 77 LEU D QB 9.00 76 PHE D QD 77 LEU D QQD 10.25 76 PHE D QD 79 LEU D QQD 10.25 76 PHE D QE 77 LEU D QB 9.00 76 PHE D QE 77 LEU D QQD 10.25 76 PHE D QE 79 LEU D QQD 10.25 77 LEU D HN 77 LEU D HA 4.50 77 LEU D HN 77 LEU D QB 6.88 77 LEU D HN 77 LEU D HG 6.00 77 LEU D HA 77 LEU D QQD 6.63 77 LEU D HA 78 ARG D HN 4.50 77 LEU D HG 77 LEU D QQD 5.63 78 ARG D HN 78 ARG D HA 6.00 78 ARG D HA 78 ARG D HD3 4.50 79 LEU D HA 79 LEU D QB 6.88 79 LEU D HA 79 LEU D QQD 8.13 79 LEU D HG 79 LEU D QQD 5.63 80 LYS D HN 80 LYS D HA 4.50 80 LYS D HN 80 LYS D QB 6.88 80 LYS D HN 80 LYS D QD 6.88 80 LYS D HA 80 LYS D QD 4.38 80 LYS D QB 80 LYS D QG 5.25 80 LYS D QB 80 LYS D QE 7.75 80 LYS D QG 80 LYS D QD 5.25 80 LYS D QG 80 LYS D QE 6.25 80 LYS D QD 80 LYS D QE 6.25 81 ARG D HN 84 LEU D QQD 8.13 82 THR D HA 82 THR D QG2 4.53 82 THR D QG2 83 ARG D HN 7.03 83 ARG D HN 83 ARG D HA 3.50 83 ARG D HN 83 ARG D HB3 3.50 83 ARG D HN 83 ARG D QG 5.38 83 ARG D HN 84 LEU D QQD 8.13 83 ARG D HA 86 LEU D HN 4.50 83 ARG D HB2 84 LEU D HN 4.50 83 ARG D HB3 84 LEU D HN 4.50 83 ARG D QD 86 LEU D QQD 9.01 84 LEU D HN 84 LEU D HA 3.50 84 LEU D HN 84 LEU D QB 4.38 84 LEU D HN 84 LEU D QQD 8.13 84 LEU D HA 84 LEU D QQD 6.63 85 GLY D HN 85 GLY D QA 5.38 85 GLY D HN 86 LEU D HN 4.50 85 GLY D QA 86 LEU D HN 5.38 86 LEU D HN 86 LEU D HA 3.50 86 LEU D HN 86 LEU D QB 4.38 86 LEU D HN 86 LEU D QQD 8.13 86 LEU D HA 86 LEU D QQD 6.63 86 LEU D HG 86 LEU D QQD 5.63 ## (S100B) CHAIN AB INTERMOLECULAR DISTANCE RESTRAINTS 1 SER A HB3 39 GLU B HA 6.50 3 LEU A HN 13 VAL B QG1 6.50 3 LEU A HN 39 GLU B QB 7.00 3 LEU A HB2 73 PHE B HZ 6.00 3 LEU A QD2 77 VAL B QG2 8.00 4 GLU A HA 43 PHE B QE 6.00 4 GLU A HN 39 GLU B HA 6.00 6 ALA A QB 10 LEU B HG 6.50 6 ALA A QB 10 LEU B QD2 8.00 7 VAL A HA 43 PHE B HZ 6.00 7 VAL A HB 43 PHE B QD 7.00 7 VAL A QG1 81 THR B QG2 7.00 7 VAL A QG2 43 PHE B HZ 6.50 8 VAL A HN 43 PHE B HZ 6.00 8 VAL A HB 43 PHE B HZ 6.00 8 VAL A HN 81 THR B QG2 6.50 8 VAL A QG1 43 PHE B HZ 6.50 8 VAL A QG1 43 PHE B QD 6.50 9 ALA A QB 2 GLU B HB2 6.50 9 ALA A QB 6 ALA B HA 6.50 10 LEU A QB 81 THR B QG2 7.50 10 LEU A QD1 7 VAL B HA 7.50 11 ILE A HA 81 THR B QG2 6.50 11 ILE A HN 81 THR B QG2 6.50 11 ILE A QD1 84 CYS B HB3 6.50 11 ILE A QD1 85 HIS B HA 6.50 11 ILE A QG2 85 HIS B HA 6.50 13 VAL A HB 3 LEU B QD1 7.50 13 VAL A QG2 3 LEU B HA 6.50 39 GLU A HN 3 LEU B QD1 7.50 40 LEU A HN 3 LEU B QD1 7.50 40 LEU A HA 4 GLU B QG 7.00 40 LEU A QD2 4 GLU B QG 8.50 43 PHE A HZ 7 VAL B HB 6.00 43 PHE A QE 4 GLU B HA 6.50 43 PHE A HZ 8 VAL B QG1 6.00 43 PHE A HZ 8 VAL B QG2 6.00 43 PHE A HZ 7 VAL B QG1 6.00 43 PHE A HZ 8 VAL B HA 6.00 70 PHE A HZ 81 THR B QG2 6.50 70 PHE A HZ 82 THR B HA 6.00 70 PHE A HZ 81 THR B HB 6.00 70 PHE A QE 81 THR B QG2 6.50 73 PHE A QE 3 LEU B QD2 6.50 73 PHE A QE 3 LEU B HA 7.00 71 GLN A HA 82 THR B QG2 6.50 71 GLN A QG 82 THR B QG2 6.50 71 GLN A HE21 82 THR B QG2 6.50 71 GLN A HE22 82 THR B QG2 6.50 71 GLN A HE22 78 ALA B QB 6.50 74 MET A QE 10 LEU B QD2 8.00 74 MET A QE 77 VAL B HA 6.50 74 MET A QE 77 VAL B QG2 7.00 74 MET A QE 78 ALA B HA 4.50 74 MET A QE 78 ALA B HN 6.50 75 ALA A HN 78 ALA B QB 6.50 77 VAL A QG1 10 LEU B QD2 8.00 77 VAL A QG1 7 VAL B QG2 8.00 77 VAL A QG1 74 MET B QE 7.00 77 VAL A HB 78 ALA B QB 7.00 81 THR A HA 7 VAL B QG2 6.50 81 THR A QG2 10 LEU B QD1 8.00 81 THR A QG2 11 ILE B QD1 7.00 81 THR A QG2 11 ILE B QG1 7.00 82 THR A QG2 70 PHE B QD 6.50 84 CYS A HA 11 ILE B QD1 6.50 84 CYS A HB2 11 ILE B QD1 6.50 84 CYS A HB3 11 ILE B QD1 6.50 86 GLU A HN 11 ILE B QG2 6.50 87 PHE A HN 11 ILE B QD1 6.50 88 PHE A HB2 11 ILE B QG2 6.50 88 PHE A QD 11 ILE B QG2 6.50 88 PHE A QD 11 ILE B QD1 6.50 1 SER B HB3 39 GLU A HA 6.50 3 LEU B HN 13 VAL A QG1 6.50 3 LEU B HN 39 GLU A QB 7.00 3 LEU B HB2 73 PHE A HZ 6.00 3 LEU B QD2 77 VAL A QG2 8.00 4 GLU B HA 43 PHE A QE 6.00 4 GLU B HN 39 GLU A HA 6.00 6 ALA B QB 10 LEU A HG 6.50 6 ALA B QB 10 LEU A QD2 8.00 7 VAL B HA 43 PHE A HZ 6.00 7 VAL B HB 43 PHE A QD 7.00 7 VAL B QG1 81 THR A QG2 7.00 7 VAL B QG2 43 PHE A HZ 6.50 8 VAL B HN 43 PHE A HZ 6.00 8 VAL B HB 43 PHE A HZ 6.00 8 VAL B HN 81 THR A QG2 6.50 8 VAL B QG1 43 PHE A HZ 6.50 8 VAL B QG1 43 PHE A QD 6.50 9 ALA B QB 2 GLU A HB2 6.50 9 ALA B QB 6 ALA A HA 6.50 10 LEU B QB 81 THR A QG2 7.50 10 LEU B QD1 7 VAL A HA 7.50 11 ILE B HA 81 THR A QG2 6.50 11 ILE B HN 81 THR A QG2 6.50 11 ILE B QD1 84 CYS A HB3 6.50 11 ILE B QD1 85 HIS A HA 6.50 11 ILE B QG2 85 HIS A HA 6.50 13 VAL B HB 3 LEU A QD1 7.50 13 VAL B QG2 3 LEU A HA 6.50 39 GLU B HN 3 LEU A QD1 7.50 40 LEU B HN 3 LEU A QD1 7.50 40 LEU B HA 4 GLU A QG 7.00 40 LEU B QD2 4 GLU A QG 8.50 43 PHE B HZ 7 VAL A HB 6.00 43 PHE B QE 4 GLU A HA 6.50 43 PHE B HZ 8 VAL A QG1 6.00 43 PHE B HZ 8 VAL A QG2 6.00 43 PHE B HZ 7 VAL A QG1 6.00 43 PHE B HZ 8 VAL A HA 6.00 70 PHE B HZ 81 THR A QG2 6.50 70 PHE B HZ 82 THR A HA 6.00 70 PHE B HZ 81 THR A HB 6.00 70 PHE B QE 81 THR A QG2 6.50 73 PHE B QE 3 LEU A QD2 6.50 73 PHE B QE 3 LEU A HA 7.00 71 GLN B HA 82 THR A QG2 6.50 71 GLN B QG 82 THR A QG2 6.50 71 GLN B HE21 82 THR A QG2 6.50 71 GLN B HE22 82 THR A QG2 6.50 71 GLN B HE22 78 ALA A QB 6.50 74 MET B QE 10 LEU A QD2 8.00 74 MET B QE 77 VAL A HA 6.50 74 MET B QE 77 VAL A QG2 7.00 74 MET B QE 78 ALA A HA 4.50 74 MET B QE 78 ALA A HN 6.50 75 ALA B HN 78 ALA A QB 6.50 77 VAL B QG1 10 LEU A QD2 8.00 77 VAL B QG1 7 VAL A QG2 8.00 77 VAL B QG1 74 MET A QE 7.00 77 VAL B HB 78 ALA A QB 7.00 81 THR B HA 7 VAL A QG2 6.50 81 THR B QG2 10 LEU A QD1 8.00 81 THR B QG2 11 ILE A QD1 7.00 81 THR B QG2 11 ILE A QG1 7.00 82 THR B QG2 70 PHE A QD 6.50 84 CYS B HA 11 ILE A QD1 6.50 84 CYS B HB2 11 ILE A QD1 6.50 84 CYS B HB3 11 ILE A QD1 6.50 86 GLU B HN 11 ILE A QG2 6.50 87 PHE B HN 11 ILE A QD1 6.50 88 PHE B HB2 11 ILE A QG2 6.50 88 PHE B QD 11 ILE A QG2 6.50 88 PHE B QD 11 ILE A QD1 6.50 ## (S100B-NDR(62-87)) CHAIN AC INTERMOLECULAR DISTANCE RESTRAINTS 76 PHE C QD 47 ILE A QG2 8.50 76 PHE C QE 47 ILE A QG2 8.50 76 PHE C QD 48 LYS A QE 8.50 76 PHE C QE 48 LYS A QE 8.50 76 PHE C HZ 48 LYS A QE 8.50 76 PHE C QD 52 VAL A QG1 8.50 76 PHE C QE 52 VAL A QG1 8.50 76 PHE C HZ 52 VAL A QG1 8.50 76 PHE C QD 56 VAL A QG1 8.50 76 PHE C QE 56 VAL A QG1 8.50 76 PHE C HZ 56 VAL A QG1 8.50 76 PHE C HA 44 LEU A QD1 8.50 76 PHE C HA 44 LEU A QD2 8.50 79 LEU C HG 44 LEU A HA 8.50 75 GLU C QB 46 GLU A HG2 8.50 76 PHE C QB 45 GLU A QG 8.50 77 LEU C HG 47 ILE A QG2 8.50 77 LEU C QQD 52 VAL A HB 8.50 77 LEU C QQD 56 VAL A HB 8.50 77 LEU C QQD 79 MET A HG3 8.50 77 LEU C QQD 79 MET A QE 8.50 78 ARG C QB 45 GLU A QG 8.50 78 ARG C QD 45 GLU A QG 8.50 79 LEU C HG 45 GLU A QG 8.50 79 LEU C QQD 44 LEU A HG 8.50 77 LEU C HG 56 VAL A QG1 8.50 82 THR C QG2 87 PHE A HB2 8.50 82 THR C QG2 87 PHE A HB3 8.50 83 ARG C QB 87 PHE A HB3 8.50 83 ARG C QD 87 PHE A HB3 8.50 83 ARG C QG 87 PHE A HB3 8.50 84 LEU C QQD 83 ALA A QB 8.50 86 LEU C QB 87 PHE A HB2 8.50 86 LEU C QB 87 PHE A HB3 8.50 86 LEU C QQD 86 GLU A QB 8.50 86 LEU C QQD 87 PHE A HB3 8.50 86 LEU C QQD 88 PHE A HB2 8.50 86 LEU C QB 88 PHE A HB2 8.50 86 LEU C HG 88 PHE A HB2 8.50 ## (S100B-NDR(62-87)) CHAIN BD INTERMOLECULAR DISTANCE RESTRAINTS 76 PHE D QD 47 ILE B QG2 8.50 76 PHE D QE 47 ILE B QG2 8.50 76 PHE D QD 48 LYS B QE 8.50 76 PHE D QE 48 LYS B QE 8.50 76 PHE D HZ 48 LYS B QE 8.50 76 PHE D QD 52 VAL B QG1 8.50 76 PHE D QE 52 VAL B QG1 8.50 76 PHE D HZ 52 VAL B QG1 8.50 76 PHE D QD 56 VAL B QG1 8.50 76 PHE D QE 56 VAL B QG1 8.50 76 PHE D HZ 56 VAL B QG1 8.50 76 PHE D HA 44 LEU B QD1 8.50 76 PHE D HA 44 LEU B QD2 8.50 79 LEU D HG 44 LEU B HA 8.50 75 GLU D QB 46 GLU B HG2 8.50 76 PHE D QB 45 GLU B QG 8.50 77 LEU D HG 47 ILE B QG2 8.50 77 LEU D QQD 52 VAL B HB 8.50 77 LEU D QQD 56 VAL B HB 8.50 77 LEU D QQD 79 MET B HG3 8.50 77 LEU D QQD 79 MET B QE 8.50 78 ARG D QB 45 GLU B QG 8.50 78 ARG D QD 45 GLU B QG 8.50 79 LEU D HG 45 GLU B QG 8.50 79 LEU D QQD 44 LEU B HG 8.50 77 LEU D HG 56 VAL B QG1 8.50 82 THR D QG2 87 PHE B HB2 8.50 82 THR D QG2 87 PHE B HB3 8.50 83 ARG D QB 87 PHE B HB3 8.50 83 ARG D QD 87 PHE B HB3 8.50 83 ARG D QG 87 PHE B HB3 8.50 84 LEU D QQD 83 ALA B QB 8.50 86 LEU D QB 87 PHE B HB2 8.50 86 LEU D QB 87 PHE B HB3 8.50 86 LEU D QQD 86 GLU B QB 8.50 86 LEU D QQD 87 PHE B HB3 8.50 86 LEU D QQD 88 PHE B HB2 8.50 86 LEU D QB 88 PHE B HB2 8.50 86 LEU D HG 88 PHE B HB2 8.50
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