NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
628563 |
5xv9   |
cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# Restraints file 1: final.upl 7 LYS HE 17 PHE HB2 6.20 # 29 VAL HG1 65 VAL HB 7.30 # 34 ILE HG2 43 LEU HG 8.50 # 29 VAL HG1 33 GLU HB2 7.40 # 53 VAL HG2 60 PRO HB2 4.80 # 31 HIS HB2 34 ILE HD1 8.70 # 48 THR HG2 68 VAL HG2 6.90 # 49 VAL H 68 VAL HG2 7.30 # 29 VAL HB 43 LEU HD1 10.10 # 50 GLU HG 68 VAL HG2 8.00 # 20 PRO HG2 26 ASP H 4.90 # 53 VAL HG1 61 CYS H 7.10 # 3 LYS HE 48 THR HG2 6.60 # 29 VAL HG1 31 HIS H 6.40 # 53 VAL HG2 61 CYS H 6.60 # 18 ILE HG12 29 VAL HG2 7.60 # 52 GLU H 62 ALA HB 5.10 # 4 GLY HA3 49 VAL HG2 6.60 # 31 HIS H 34 ILE HD1 9.50 # 29 VAL HG1 33 GLU HB3 7.20 # 31 HIS H 34 ILE HG2 7.00 # 34 ILE HG2 36 SER H 7.90 # 18 ILE H 29 VAL HG2 6.50 # 9 PHE HE 42 THR HB 7.90 # 50 GLU HG 68 VAL HG1 8.10 # 34 ILE HD1 42 THR HA 8.80 # 6 VAL HG1 43 LEU HD1 8.40 # 18 ILE HA 29 VAL HG2 7.50 # 31 HIS HA 34 ILE HG2 5.05 # 10 ASN O 15 PHE N 3.30 #ENDURANCE 0.000000 #FLIPPED 18 ILE HD1 29 VAL HG2 6.60 # 6 VAL HG2 9 PHE H 6.70 # 18 ILE HD1 65 VAL HG 7.20 # 31 HIS HB3 34 ILE HD1 9.20 # 49 VAL HA 68 VAL HG1 6.60 # 6 VAL HG2 8 TRP H 5.60 # 6 VAL HG2 9 PHE HB3 6.60 # 43 LEU HD2 47 GLN HA 7.00 # 6 VAL HG2 17 PHE H 7.00 # 5 ILE H 18 ILE HG2 7.20 # 9 PHE HE 29 VAL HG1 6.60 # 5 ILE HG2 48 THR H 5.70 # 3 LYS HA 49 VAL H 4.90 # 43 LEU HD1 49 VAL HG1 5.80 # 48 THR HG2 68 VAL H 6.00 # 7 LYS HG 17 PHE HB3 5.90 # 10 ASN H 15 PHE O 2.40 # 3 LYS HE 50 GLU HG 7.00 # 54 GLY H 62 ALA HA 3.85 # 47 GLN H 47 GLN HG3 4.40 # 51 TYR HB2 65 VAL HG 6.60 # 43 LEU HD2 66 VAL H 7.20 # 18 ILE HD1 51 TYR HB2 6.20 # 18 ILE HG2 27 LEU HB3 4.74 # 5 ILE HG2 19 THR H 6.60 # 53 VAL HA 62 ALA H 5.20 # 4 GLY H 48 THR HG2 5.50 # 29 VAL HG1 33 GLU H 8.00 # 65 VAL H 66 VAL HG 6.70 # 6 VAL HG2 47 GLN H 4.70 # 50 GLU HB2 66 VAL HG 5.46 # 53 VAL HG2 55 GLN H 6.60 # 52 GLU O 63 ASN H 2.20 #ENDURANCE 0.000000 #FLIPPED 6 VAL HG1 47 GLN HG3 6.90 # 31 HIS HA 34 ILE HB 5.93 # 4 GLY O 49 VAL H 2.30 #ENDURANCE 0.000000 #FLIPPED 43 LEU HD2 44 ALA H 5.50 # 18 ILE HD1 62 ALA HB 6.60 # 55 GLN HG 59 GLY H 7.80 # 50 GLU HG 66 VAL H 5.80 # 29 VAL HB 62 ALA H 5.70 # 6 VAL HB 43 LEU HD2 6.60 # 7 LYS HG 8 TRP H 4.80 # 5 ILE H 19 THR HA 5.10 # 51 TYR HB3 53 VAL HA 6.90 # 48 THR H 68 VAL HG2 7.00 # 48 THR HG2 68 VAL HA 6.90 # 8 TRP O 17 PHE H 2.20 #ENDURANCE 0.000000 #FLIPPED 6 VAL H 47 GLN HB2 5.40 # 9 PHE N 44 ALA O 3.50 # 5 ILE HA 18 ILE HB 6.50 # 9 PHE H 44 ALA O 3.00 # 23 GLY H 24 SER HB3 5.60 # 5 ILE HG2 46 GLY HA3 6.50 # 49 VAL HG2 68 VAL H 6.40 # 6 VAL HG1 43 LEU HB2 6.60 # 54 GLY H 55 GLN HA 4.80 # 3 LYS HG3 50 GLU HA 4.70 # 50 GLU HB2 66 VAL H 4.64 # 6 VAL HG1 47 GLN HG2 6.70 # 6 VAL H 46 GLY H 4.30 # 9 PHE HE 42 THR HG2 9.10 # 44 ALA HA 46 GLY H 5.70 # 6 VAL HG1 47 GLN HB2 5.90 # 3 LYS HG3 50 GLU HG 6.60 # 2 SER HB3 51 TYR H 5.17 # 56 GLY H 61 CYS H 5.02 # 6 VAL HG1 47 GLN H 4.90 # 43 LEU HB2 47 GLN HG3 5.70 # 40 TYR HB3 42 THR H 5.80 # 55 GLN HA 60 PRO HB2 4.80 # 14 GLY HA2 31 HIS H 3.90 # 20 PRO HB3 22 ASP H 3.90 # 5 ILE H 19 THR HB 3.50 # 9 PHE HB2 29 VAL HG2 9.20 # 50 GLU O 66 VAL H 2.30 #ENDURANCE 0.000000 #FLIPPED 20 PRO HB3 23 GLY H 4.40 # 3 LYS HB2 49 VAL H 6.00 # 49 VAL HG2 66 VAL H 5.70 # 10 ASN O 15 PHE H 2.50 #ENDURANCE 0.000000 #FLIPPED 9 PHE HE 42 THR HA 6.60 # 44 ALA HB 47 GLN HB3 6.60 # 4 GLY HA3 21 GLU H 6.60 # 6 VAL H 47 GLN HB3 6.60 # 7 LYS HA 47 GLN H 6.60 # 4 GLY HA2 21 GLU H 6.60 # 5 ILE H 21 GLU H 6.60 # 20 PRO HA 22 ASP H 6.60 # 5 ILE HA 48 THR HA 6.60 # 12 ASP HA 14 GLY H 6.60 # 20 PRO HG3 23 GLY H 6.80 # 6 VAL H 49 VAL H 6.60 # 6 VAL HA 49 VAL HG2 6.60 # 6 VAL HB 49 VAL H 6.60 # 10 ASN H 15 PHE H 6.80 # 4 GLY HA3 49 VAL H 6.60 # 47 GLN HG3 49 VAL HG1 6.60 # 4 GLY H 49 VAL H 6.60 # 5 ILE HA 49 VAL HG2 6.60 # 55 GLN HA 60 PRO HA 6.80 # 3 LYS HB3 50 GLU HA 6.60 # 54 GLY H 60 PRO HA 6.80 # 3 LYS HA 51 TYR H 6.60 # 3 LYS HB3 51 TYR H 6.60 # 20 PRO HB2 24 SER H 6.60 # 20 PRO HA 24 SER H 6.60 # 54 GLY H 61 CYS HA 6.80 # 22 ASP HA 24 SER H 6.60 # 5 ILE HA 6 VAL HG1 6.60 # 20 PRO HD3 26 ASP HA 6.60 # 53 VAL HG2 60 PRO HB3 6.60 # 27 LEU HB3 61 CYS HA 6.60 # 28 PHE HB3 61 CYS HA 6.60 # 18 ILE H 26 ASP H 6.60 # 13 LYS HG2 15 PHE H 6.60 # 28 PHE HB2 61 CYS HA 6.60 # 29 VAL HA 61 CYS HB3 6.60 # 13 LYS H 15 PHE H 6.60 # 29 VAL HA 61 CYS HB2 6.60 # 18 ILE HA 26 ASP HB 5.90 # 55 GLN HA 61 CYS H 6.60 # 51 TYR HB2 62 ALA HB 6.60 # 29 VAL HB 62 ALA HB 6.60 # 28 PHE H 62 ALA H 6.60 # 30 HIS H 62 ALA H 6.60 # 52 GLU H 62 ALA HA 6.60 # 9 PHE HB2 47 GLN HG2 5.50 # 52 GLU HB2 63 ASN HD22 6.60 # 52 GLU HB3 63 ASN HD22 6.60 # 52 GLU HB3 63 ASN H 6.60 # 52 GLU HB3 63 ASN HD21 6.60 # 52 GLU HB2 63 ASN HD21 6.60 # 19 THR HA 26 ASP H 6.60 # 52 GLU HB3 63 ASN HB3 6.60 # 53 VAL HA 63 ASN H 6.60 # 52 GLU HB3 63 ASN HB2 6.60 # 51 TYR HA 63 ASN H 6.60 # 51 TYR HB2 63 ASN H 6.60 # 54 GLY H 63 ASN H 6.60 # 51 TYR HB2 65 VAL HA 6.60 # 51 TYR HB3 65 VAL HA 6.60 # 18 ILE HG2 27 LEU H 6.60 # 54 GLY H 61 CYS HB2 6.80 # 49 VAL HB 65 VAL HG 6.60 # 51 TYR HA 65 VAL HA 6.60 # 51 TYR HB3 65 VAL HG 6.60 # 9 PHE HE 43 LEU HD1 5.40 # 18 ILE HG2 27 LEU HB2 6.60 # 17 PHE HA 27 LEU H 6.60 # 17 PHE HB3 27 LEU H 6.60 # 49 VAL HB 67 ALA HB 6.60 # 20 PRO HD3 27 LEU H 6.60 # 47 GLN HE21 67 ALA HB 6.60 # 18 ILE H 27 LEU H 6.60 # 47 GLN HG3 67 ALA HB 6.60 # 50 GLU H 67 ALA H 6.60 # 19 THR HA 27 LEU H 6.60 # 47 GLN HG2 67 ALA HB 6.60 # 47 GLN HE21 67 ALA H 6.60 # 49 VAL HB 67 ALA H 6.60 # 49 VAL HA 67 ALA HB 6.60 # 17 PHE HB2 27 LEU H 6.60 # 49 VAL HG1 67 ALA HA 6.60 # 49 VAL HG1 67 ALA H 6.60 # 49 VAL HG1 67 ALA HB 6.60 # 49 VAL HA 67 ALA HA 6.60 # 13 LYS HG3 15 PHE H 6.60 # 10 ASN H 16 GLY HA 6.80 # 28 PHE O 62 ALA H 2.20 #ENDURANCE 0.000000 #FLIPPED 48 THR H 68 VAL H 6.60 # 49 VAL HA 68 VAL HG2 6.60 # 5 ILE H 19 THR O 2.20 # 33 GLU HG2 63 ASN HA 6.80 # 20 PRO HD2 24 SER H 4.30 # 9 PHE HB2 16 GLY HA 6.60 # 9 PHE HA 16 GLY HA 6.60 # 34 ILE HA 65 VAL HB 6.80 # 50 GLU H 66 VAL HB 6.80 # 6 VAL HG1 17 PHE H 6.43 # 30 HIS H 33 GLU H 6.43 # 64 LYS HB3 66 VAL H 5.50 # 19 THR HG2 23 GLY H 6.40 # 18 ILE H 26 ASP HA 6.80 # 6 VAL HG2 48 THR H 6.40 # 43 LEU HA 48 THR H 6.50 # 30 HIS H 33 GLU HG3 6.36 # 49 VAL HB 67 ALA HA 6.80 # 47 GLN HE22 67 ALA HA 6.80 # 55 GLN H 56 GLY H 4.50 # 53 VAL HA 60 PRO HG3 6.30 # 18 ILE H 19 THR HA 6.20 # 4 GLY HA2 49 VAL H 6.18 # 15 PHE H 31 HIS H 6.16 # 20 PRO HD3 25 LYS H 6.14 # 30 HIS H 33 GLU HB2 6.13 # 10 ASN HB2 11 SER H 6.12 # 4 GLY H 51 TYR H 6.12 # 30 HIS HA 30 HIS HB2 6.10 # 30 HIS HB3 31 HIS H 6.10 # 50 GLU H 67 ALA HA 6.80 # 5 ILE HA 5 ILE HG13 6.10 # 15 PHE HA 29 VAL H 6.10 # 30 HIS HB2 30 HIS HD2 6.10 # 21 GLU H 23 GLY H 6.09 # 29 VAL HB 29 VAL H 6.07 # 2 SER HB2 51 TYR H 6.01 # 9 PHE HB3 43 LEU HG 6.80 # 40 TYR HB2 42 THR H 6.00 # 16 GLY H 28 PHE HA 6.80 # 18 ILE HG12 18 ILE HG13 6.00 # 8 TRP H 17 PHE HB2 6.80 # 26 ASP HA 27 LEU H 5.99 # 26 ASP HA 26 ASP HB 5.99 # 9 PHE HB3 9 PHE H 5.99 # 31 HIS HB2 32 SER H 5.97 # 5 ILE HG12 5 ILE HG13 5.94 # 27 LEU H 28 PHE H 5.94 # 10 ASN HA 13 LYS H 5.94 # 5 ILE H 18 ILE HA 6.80 # 9 PHE HE 43 LEU HG 5.93 # 54 GLY H 60 PRO HB2 5.91 # 13 LYS HG2 13 LYS HG3 5.91 # 6 VAL HG2 47 GLN HA 5.90 # 16 GLY H 29 VAL HB 6.80 # 5 ILE HG2 19 THR HB 5.90 # 43 LEU HD1 49 VAL HB 7.20 # 30 HIS HB3 33 GLU HG2 5.90 # 7 LYS HA 18 ILE HA 6.80 # 5 ILE HB 19 THR HB 5.90 # 50 GLU HB2 50 GLU HG 5.89 # 58 LYS HG 58 LYS HB3 5.88 # 47 GLN HB2 47 GLN HA 5.85 # 6 VAL HA 18 ILE HA 5.85 # 28 PHE HB2 62 ALA H 5.85 # 32 SER H 34 ILE H 5.84 # 15 PHE HB3 30 HIS HA 5.83 # 50 GLU HB2 50 GLU HA 5.82 # 49 VAL H 68 VAL H 5.80 # 6 VAL HB 47 GLN HB3 6.80 # 18 ILE HG12 29 VAL HB 6.70 # 9 PHE H 16 GLY HA 5.80 # 31 HIS HB2 31 HIS HD2 5.80 # 50 GLU HG 68 VAL H 6.60 # 8 TRP H 18 ILE HA 6.80 # 20 PRO HG3 27 LEU H 5.79 # 15 PHE HB2 28 PHE HB3 5.79 # 33 GLU HG3 64 LYS H 5.79 # 47 GLN HB3 47 GLN H 5.79 # 7 LYS H 17 PHE H 6.60 # 62 ALA H 63 ASN H 5.77 # 57 GLN HG3 59 GLY H 5.77 # 3 LYS HG2 50 GLU HA 5.74 # 50 GLU HB3 51 TYR H 5.74 # 28 PHE H 61 CYS HB2 5.73 # 43 LEU H 44 ALA H 5.72 # 5 ILE HA 48 THR H 5.71 # 3 LYS HG2 3 LYS HA 5.71 # 5 ILE HG2 47 GLN HA 6.60 # 4 GLY HA3 6 VAL H 5.70 # 15 PHE HB3 29 VAL H 6.60 # 14 GLY HA3 31 HIS H 6.60 # 14 GLY HA3 31 HIS HB3 6.60 # 30 HIS HB3 32 SER H 6.60 # 6 VAL HG1 8 TRP H 5.68 # 49 VAL HA 66 VAL H 5.66 # 65 VAL HB 66 VAL H 5.65 # 58 LYS HG 58 LYS HD2 5.65 # 8 TRP H 9 PHE H 5.64 # 55 GLN HB3 55 GLN HG 5.63 # 52 GLU HB2 63 ASN H 5.62 # 3 LYS HA 50 GLU HB2 5.62 # 30 HIS HB2 30 HIS HB3 5.62 # 30 HIS HB3 33 GLU H 6.60 # 30 HIS HB2 33 GLU H 6.60 # 20 PRO HB3 25 LYS H 5.60 # 17 PHE HA 29 VAL HG2 6.90 # 30 HIS HB3 33 GLU HG3 6.60 # 30 HIS HB2 32 SER H 5.60 # 5 ILE HG2 46 GLY H 7.30 # 22 ASP HB2 23 GLY H 5.59 # 13 LYS HG2 13 LYS HB2 5.59 # 13 LYS HD2 13 LYS HD3 5.58 # 6 VAL H 19 THR HB 5.58 # 28 PHE HB3 29 VAL H 5.57 # 42 THR HB 43 LEU H 5.56 # 50 GLU HB3 50 GLU H 5.56 # 30 HIS H 33 GLU HB3 5.55 # 56 GLY HA3 57 GLN H 5.54 # 17 PHE HB3 26 ASP HB 5.54 # 18 ILE HG13 18 ILE HB 5.54 # 45 ASP HA 46 GLY H 5.52 # 55 GLN HG 56 GLY H 5.52 # 45 ASP HB3 45 ASP HA 5.52 # 6 VAL HG2 45 ASP H 8.20 # 27 LEU HB3 28 PHE H 5.51 # 20 PRO HA 25 LYS H 7.60 # 25 LYS H 26 ASP H 5.50 # 7 LYS HB3 17 PHE HB2 6.60 # 6 VAL HG1 45 ASP H 6.60 # 16 GLY H 29 VAL HG2 6.10 # 8 TRP HB3 17 PHE H 6.60 # 20 PRO HB3 20 PRO HB2 5.50 # 5 ILE HG12 5 ILE HA 5.50 # 12 ASP HA 13 LYS H 5.50 # 25 LYS HG 25 LYS H 5.48 # 20 PRO HA 20 PRO HB3 5.47 # 20 PRO HA 20 PRO HG2 5.47 # 52 GLU HB2 52 GLU HG2 5.47 # 52 GLU HB2 52 GLU HG3 5.47 # 3 LYS HG3 4 GLY H 5.47 # 20 PRO HD2 20 PRO HD3 5.46 # 8 TRP HB2 17 PHE H 6.60 # 12 ASP HB3 12 ASP HB2 5.45 # 3 LYS H 21 GLU HG2 5.44 # 13 LYS HB3 14 GLY H 5.42 # 42 THR HG2 43 LEU H 5.42 # 6 VAL H 47 GLN HA 5.42 # 6 VAL H 46 GLY HA2 5.42 # 18 ILE H 29 VAL HB 5.42 # 18 ILE H 18 ILE HA 5.42 # 55 GLN HB2 56 GLY H 5.42 # 7 LYS HB3 18 ILE H 5.42 # 10 ASN HD21 13 LYS HG3 5.42 # 28 PHE H 61 CYS HB3 5.41 # 18 ILE H 27 LEU O 2.20 # 6 VAL HG1 18 ILE HG13 5.90 # 44 ALA HB 47 GLN H 5.40 # 5 ILE HG2 46 GLY HA2 5.40 # 9 PHE HE 11 SER HA 6.60 # 3 LYS HB3 3 LYS HG3 5.40 # 5 ILE HA 48 THR HB 6.80 # 15 PHE HB2 15 PHE HB3 5.39 # 6 VAL HA 18 ILE HB 5.38 # 28 PHE HB2 28 PHE HB3 5.38 # 28 PHE HB3 62 ALA H 5.37 # 47 GLN HG3 68 VAL H 5.37 # 18 ILE H 28 PHE HA 5.37 # 10 ASN HA 12 ASP H 6.60 # 18 ILE H 20 PRO HD3 5.37 # 51 TYR HB3 62 ALA HB 5.36 # 43 LEU HG 44 ALA H 5.36 # 8 TRP HA 45 ASP HA 5.36 # 7 LYS HA 7 LYS H 5.36 # 19 THR HA 26 ASP HA 5.36 # 7 LYS H 7 LYS HA 5.35 # 47 GLN HE21 68 VAL H 5.35 # 7 LYS HB3 17 PHE H 5.33 # 29 VAL H 29 VAL HA 5.32 # 29 VAL H 30 HIS HA 5.32 # 28 PHE HA 28 PHE HB2 5.32 # 17 PHE HB2 18 ILE H 5.32 # 43 LEU HB2 47 GLN HG2 5.31 # 6 VAL HA 6 VAL HB 5.30 # 10 ASN HB3 13 LYS H 6.60 # 6 VAL HG1 18 ILE HA 6.60 # 65 VAL H 66 VAL H 5.30 # 12 ASP HB2 14 GLY H 5.30 # 51 TYR HB3 66 VAL H 5.29 # 57 GLN HA 57 GLN HG2 5.27 # 48 THR HA 48 THR HB 5.27 # 4 GLY H 20 PRO HA 5.26 # 14 GLY HA2 15 PHE H 5.26 # 13 LYS HG3 13 LYS H 5.25 # 33 GLU HA 64 LYS H 5.24 # 7 LYS HB2 8 TRP H 5.23 # 32 SER H 33 GLU H 5.23 # 58 LYS HB3 59 GLY H 5.22 # 28 PHE H 28 PHE HA 5.21 # 61 CYS HB3 62 ALA H 5.21 # 20 PRO HB2 23 GLY H 5.21 # 11 SER H 12 ASP H 5.21 # 6 VAL HA 18 ILE HG2 6.60 # 47 GLN HG2 48 THR H 5.20 # 47 GLN HG3 48 THR H 5.20 # 29 VAL HB 30 HIS H 5.20 # 6 VAL HB 43 LEU HB2 6.60 # 10 ASN HB3 15 PHE H 5.20 # 3 LYS HB3 4 GLY H 5.18 # 57 GLN HA 58 LYS H 5.18 # 20 PRO HG2 20 PRO HB2 5.18 # 63 ASN HA 65 VAL H 5.18 # 5 ILE HG12 48 THR HA 6.80 # 24 SER HB2 24 SER HA 5.15 # 13 LYS HA 13 LYS HB3 5.15 # 49 VAL H 49 VAL HA 5.14 # 16 GLY H 29 VAL HA 5.14 # 16 GLY H 30 HIS HA 5.14 # 45 ASP HB2 46 GLY H 5.14 # 50 GLU HB3 66 VAL H 5.14 # 20 PRO HG2 25 LYS H 5.13 # 15 PHE HB2 28 PHE HA 5.12 # 31 HIS HA 31 HIS HB2 5.11 # 50 GLU HB3 50 GLU HB2 5.11 # 43 LEU HA 43 LEU HB3 5.11 # 43 LEU HA 43 LEU H 5.11 # 32 SER H 32 SER HA 5.11 # 5 ILE HB 5 ILE HG13 5.10 # 62 ALA H 62 ALA HA 5.10 # 56 GLY H 57 GLN HG3 6.00 # 53 VAL HA 53 VAL HB 5.10 # 46 GLY HA3 47 GLN H 5.10 # 50 GLU H 68 VAL H 5.10 # 49 VAL HG1 68 VAL H 4.60 # 11 SER HB3 12 ASP H 5.09 # 13 LYS HB2 15 PHE H 5.08 # 49 VAL H 50 GLU H 5.08 # 22 ASP HB2 24 SER H 5.07 # 47 GLN HE22 48 THR H 5.07 # 6 VAL HA 18 ILE HG12 5.06 # 17 PHE HB2 17 PHE HA 5.06 # 7 LYS HG 26 ASP HB 7.40 # 8 TRP H 8 TRP HA 5.05 # 27 LEU HG 27 LEU H 5.04 # 52 GLU HB3 52 GLU HA 5.04 # 9 PHE H 45 ASP HA 5.04 # 55 GLN HB2 55 GLN HB3 5.04 # 20 PRO HG3 24 SER H 5.03 # 18 ILE H 27 LEU HB2 5.03 # 57 GLN HB3 58 LYS H 5.03 # 11 SER H 13 LYS H 6.60 # 51 TYR HA 66 VAL H 5.02 # 5 ILE HB 19 THR H 5.02 # 55 GLN HA 55 GLN HG 5.00 # 49 VAL HA 67 ALA H 5.00 # 31 HIS HD2 42 THR HA 4.99 # 7 LYS HB2 7 LYS HB3 4.97 # 21 GLU HA 22 ASP H 4.97 # 7 LYS HB2 7 LYS HG 4.97 # 18 ILE HG13 18 ILE HA 4.96 # 5 ILE H 5 ILE HA 4.96 # 6 VAL HG2 7 LYS H 4.93 # 7 LYS HG 7 LYS HE 4.92 # 22 ASP HA 23 GLY H 4.92 # 31 HIS HA 31 HIS HD2 4.92 # 6 VAL HA 8 TRP H 4.91 # 65 VAL H 65 VAL HA 4.91 # 56 GLY H 59 GLY H 4.90 # 18 ILE HD1 29 VAL HB 6.30 # 34 ILE HB 66 VAL H 5.70 # 22 ASP HB3 22 ASP HA 4.90 # 15 PHE H 15 PHE HA 4.90 # 47 GLN HB3 47 GLN HB2 4.89 # 18 ILE HG12 18 ILE HD1 4.88 # 18 ILE HG2 19 THR H 4.88 # 19 THR HA 20 PRO HD2 4.88 # 43 LEU HB2 44 ALA H 4.88 # 19 THR HG2 20 PRO HD2 4.87 # 17 PHE H 17 PHE HA 4.86 # 20 PRO HB2 20 PRO HD3 4.86 # 13 LYS HG3 13 LYS HA 4.86 # 43 LEU HB3 44 ALA H 4.86 # 29 VAL HG1 30 HIS H 4.85 # 31 HIS HB2 31 HIS HB3 4.85 # 2 SER HA 2 SER HB2 4.85 # 43 LEU HD1 43 LEU HB2 4.85 # 13 LYS HA 14 GLY H 4.84 # 64 LYS HB2 65 VAL H 4.38 # 7 LYS HA 8 TRP H 4.84 # 12 ASP HB3 13 LYS H 4.84 # 14 GLY HA3 15 PHE H 4.82 # 10 ASN HB2 13 LYS H 4.81 # 5 ILE H 6 VAL H 4.81 # 20 PRO HD2 27 LEU H 4.80 # 9 PHE HB3 43 LEU H 6.60 # 9 PHE HB2 43 LEU H 6.60 # 20 PRO HB2 20 PRO HD2 4.80 # 5 ILE HG13 19 THR HA 4.80 # 17 PHE H 18 ILE HA 4.80 # 9 PHE HB3 43 LEU HB3 6.60 # 22 ASP HA 22 ASP HB2 4.79 # 5 ILE HG12 19 THR HB 4.79 # 3 LYS HB2 4 GLY H 4.78 # 27 LEU HB3 27 LEU HA 4.78 # 33 GLU HB3 64 LYS H 4.76 # 15 PHE HB2 29 VAL H 4.75 # 6 VAL HG2 46 GLY H 5.40 # 17 PHE HA 29 VAL HB 4.74 # 12 ASP HB2 13 LYS H 4.72 # 13 LYS H 13 LYS HA 4.72 # 61 CYS HB2 62 ALA H 4.70 # 6 VAL HG2 45 ASP HA 6.50 # 7 LYS HA 19 THR H 6.60 # 6 VAL H 48 THR HA 6.80 # 58 LYS HA 59 GLY H 4.69 # 65 VAL HG 66 VAL H 4.68 # 31 HIS H 31 HIS HA 4.68 # 27 LEU HB3 62 ALA H 4.67 # 48 THR HG2 49 VAL H 4.66 # 6 VAL HB 44 ALA H 4.65 # 44 ALA H 47 GLN HG3 4.65 # 8 TRP HB2 45 ASP H 6.60 # 7 LYS H 19 THR H 4.64 # 57 GLN HA 59 GLY H 4.63 # 6 VAL HA 19 THR H 4.62 # 7 LYS H 8 TRP H 4.62 # 54 GLY H 54 GLY HA2 4.62 # 29 VAL HA 62 ALA H 4.62 # 23 GLY H 24 SER H 4.62 # 13 LYS HB3 15 PHE H 4.61 # 57 GLN HB3 57 GLN HA 4.61 # 55 GLN HB2 55 GLN H 4.61 # 21 GLU HB3 22 ASP H 4.60 # 18 ILE HA 20 PRO HD3 5.50 # 6 VAL HG1 45 ASP HA 6.60 # 64 LYS H 65 VAL H 4.58 # 52 GLU HB3 52 GLU HB2 4.57 # 22 ASP HB3 24 SER H 4.57 # 23 GLY HA3 24 SER H 4.57 # 63 ASN HB2 64 LYS H 4.57 # 7 LYS HB3 7 LYS H 4.57 # 15 PHE HA 31 HIS H 4.56 # 15 PHE HB3 16 GLY H 4.55 # 49 VAL HB 66 VAL H 4.55 # 67 ALA HB 68 VAL H 4.55 # 9 PHE HB2 45 ASP H 6.60 # 63 ASN HA 64 LYS H 4.54 # 10 ASN HB2 15 PHE H 4.53 # 68 VAL H 68 VAL HA 4.51 # 7 LYS HB3 17 PHE HB3 4.51 # 7 LYS HA 46 GLY H 6.60 # 21 GLU H 22 ASP H 4.49 # 51 TYR HB2 52 GLU H 4.48 # 17 PHE HA 29 VAL H 4.48 # 56 GLY H 60 PRO HA 4.47 # 24 SER H 24 SER HA 4.44 # 20 PRO HD2 26 ASP HA 4.44 # 4 GLY HA2 5 ILE H 4.43 # 21 GLU HA 23 GLY H 4.43 # 54 GLY H 61 CYS H 4.43 # 6 VAL HG1 46 GLY H 6.60 # 7 LYS HA 7 LYS HG 4.42 # 7 LYS HA 7 LYS HB3 4.42 # 46 GLY H 47 GLN H 4.42 # 11 SER HB3 31 HIS HB2 4.40 # 15 PHE HA 29 VAL HG2 7.40 # 22 ASP H 22 ASP HA 4.40 # 2 SER HB3 3 LYS H 4.40 # 15 PHE HA 16 GLY H 4.40 # 15 PHE HB3 15 PHE HA 4.39 # 50 GLU H 66 VAL H 4.39 # 17 PHE HA 17 PHE HB3 4.39 # 6 VAL HB 46 GLY HA2 6.60 # 7 LYS HB3 8 TRP H 4.37 # 6 VAL H 47 GLN H 4.37 # 51 TYR HA 52 GLU H 4.36 # 16 GLY H 29 VAL H 4.35 # 5 ILE H 19 THR H 4.35 # 24 SER HB3 25 LYS H 4.33 # 3 LYS HG2 3 LYS HG3 4.33 # 25 LYS H 25 LYS HA 4.32 # 5 ILE HA 49 VAL H 4.31 # 64 LYS H 64 LYS HA 4.30 # 52 GLU H 63 ASN H 4.30 # 61 CYS HA 62 ALA H 4.30 # 13 LYS H 14 GLY H 4.30 # 25 LYS HB2 26 ASP H 4.28 # 48 THR HB 48 THR H 4.28 # 45 ASP HA 47 GLN H 4.27 # 6 VAL HB 45 ASP HA 4.27 # 14 GLY H 14 GLY HA3 4.26 # 30 HIS HA 31 HIS H 4.26 # 14 GLY H 15 PHE H 4.26 # 29 VAL HA 30 HIS H 4.24 # 30 HIS H 30 HIS HA 4.24 # 17 PHE HA 28 PHE HA 4.22 # 6 VAL HA 7 LYS H 4.21 # 5 ILE HG13 19 THR HB 6.60 # 6 VAL HB 46 GLY HA3 6.60 # 43 LEU HA 47 GLN HE22 6.60 # 47 GLN H 47 GLN HA 4.20 # 22 ASP H 23 GLY H 4.19 # 20 PRO HB2 22 ASP H 4.19 # 28 PHE H 61 CYS HA 4.18 # 66 VAL H 66 VAL HA 4.18 # 64 LYS HA 65 VAL H 4.16 # 51 TYR HB3 51 TYR HA 4.15 # 6 VAL HA 18 ILE HG13 4.13 # 7 LYS H 18 ILE HG13 4.11 # 43 LEU HA 47 GLN HE21 6.60 # 4 GLY HA3 5 ILE H 4.10 # 18 ILE HA 19 THR H 4.09 # 28 PHE HA 29 VAL H 4.09 # 17 PHE HA 18 ILE H 4.08 # 65 VAL HA 66 VAL H 4.08 # 14 GLY HA2 31 HIS HB2 4.04 # 5 ILE HG2 21 GLU HA 6.80 # 7 LYS H 18 ILE HA 3.96 # 8 TRP H 17 PHE H 3.96 # 24 SER HA 25 LYS H 3.95 # 24 SER HB2 25 LYS H 3.95 # 48 THR HA 49 VAL H 3.91 # 27 LEU HA 28 PHE H 3.90 # 6 VAL HG1 47 GLN HB3 6.60 # 43 LEU HA 44 ALA H 3.88 # 55 GLN HA 56 GLY H 3.85 # 10 ASN HD21 13 LYS HD3 6.60 # 12 ASP H 13 LYS H 3.80 # 47 GLN HA 48 THR H 3.79 # 3 LYS HA 4 GLY H 3.79 # 6 VAL HB 46 GLY H 3.79 # 19 THR HA 20 PRO HD3 3.76 # 49 VAL HA 68 VAL H 3.73 # 15 PHE HB2 30 HIS HA 3.66 # 67 ALA HA 68 VAL H 3.65 # 9 PHE HB2 9 PHE HB3 3.62 # 4 GLY H 50 GLU HA 3.60 # 8 TRP H 17 PHE O 2.20 # 5 ILE HA 47 GLN H 6.60 # 25 LYS HA 26 ASP H 3.47 # 34 ILE HA 65 VAL H 3.47 #
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