NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
557091 | 2lya | 18715 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
10 GLY H 11 GLY H 2.9 1.00E+00 11 GLY H 12 GLU H 2.9 1.00E+00 12 GLU H 13 LEU H 2.9 1.00E+00 13 LEU H 14 ASP H 2.9 1.00E+00 14 ASP H 15 LYS H 2.9 1.00E+00 15 LYS H 16 TRP H 2.9 1.00E+00 16 TRP H 17 GLU H 2.9 1.00E+00 17 GLU H 18 LYS H 2.9 1.00E+00 18 LYS H 19 ILE H 2.9 1.00E+00 10 GLY H 12 GLU H 5.0 1.00E+00 11 GLY H 13 LEU H 5.0 1.00E+00 12 GLU H 14 ASP H 5.0 1.00E+00 13 LEU H 15 LYS H 5.0 1.00E+00 14 ASP H 16 TRP H 5.0 1.00E+00 15 LYS H 17 GLU H 5.0 1.00E+00 13 LEU H 16 TRP H 5.0 1.00E+00 14 ASP H 17 GLU H 5.0 1.00E+00 9 SER HA 10 GLY H 2.7 1.00E+00 10 GLY HA3 11 GLY H 2.7 1.00E+00 12 GLU HA 14 ASP H 5.0 1.00E+00 13 LEU HA 15 LYS H 5.0 1.00E+00 14 ASP HA 16 TRP H 5.0 1.00E+00 15 LYS HA 17 GLU H 5.0 1.00E+00 16 TRP HA 18 LYS H 5.0 1.00E+00 17 GLU HA 19 ILE H 5.0 1.00E+00 10 GLY HA2 13 LEU H 5.0 1.00E+00 11 GLY HA2 14 ASP H 5.0 1.00E+00 12 GLU HA 15 LYS H 5.0 1.00E+00 13 LEU HA 16 TRP H 5.0 1.00E+00 14 ASP HA 17 GLU H 5.0 1.00E+00 15 LYS HA 18 LYS H 5.0 1.00E+00 16 TRP HA 19 ILE H 5.0 1.00E+00 9 SER HA 13 LEU H 5.0 1.00E+00 10 GLY HA2 14 ASP H 5.0 1.00E+00 12 GLU HA 16 TRP H 5.0 1.00E+00 13 LEU HA 17 GLU H 5.0 1.00E+00 10 GLY HA2 13 LEU HB2 3.3 1.00E+00 10 GLY HA2 13 LEU HB3 3.3 1.00E+00 11 GLY HA2 14 ASP QB 3.3 1.00E+00 12 GLU HA 15 LYS QB 3.3 1.00E+00 13 LEU HA 16 TRP HB2 3.3 1.00E+00 13 LEU HA 16 TRP HB3 2.7 1.00E+00 14 ASP HA 17 GLU QB 3.3 1.00E+00 19 ILE HA 20 ARG H 2.7 1.00E+00 20 ARG HA 21 LEU H 2.7 1.00E+00 21 LEU H 22 ARG H 2.7 1.00E+00 22 ARG HA 23 PRO HD2 2.9 1.00E+00 22 ARG HA 23 PRO HD3 2.9 1.00E+00 24 GLY H 25 GLY H 3.3 1.00E+00 25 GLY HA2 26 LYS H 2.7 1.00E+00 25 GLY HA3 26 LYS H 2.7 1.00E+00 26 LYS H 27 LYS H 2.7 1.00E+00 27 LYS HA 28 GLN H 2.7 1.00E+00 28 GLN HA 29 TYR H 2.7 1.00E+00 29 TYR HA 30 LYS H 2.7 1.00E+00 17 GLU HA 29 TYR HA 5.0 1.00E+00 17 GLU HA 30 LYS HA 5.0 1.00E+00 20 ARG HA 28 GLN HA 2.7 1.00E+00 17 GLU HA 29 TYR H 5.0 1.00E+00 18 LYS HA 29 TYR H 5.0 1.00E+00 20 ARG HA 29 TYR H 5.0 1.00E+00 21 LEU H 28 GLN HA 3.3 1.00E+00 22 ARG H 25 GLY HA3 5.0 1.00E+00 23 PRO HA 25 GLY H 5.0 1.00E+00 19 ILE H 29 TYR H 5.0 1.00E+00 20 ARG H 97 THR H 5.0 1.00E+00 21 LEU H 27 LYS H 5.0 1.00E+00 22 ARG H 25 GLY H 5.0 1.00E+00 31 LEU H 32 LYS H 2.9 1.00E+00 32 LYS H 33 HISB H 2.9 1.00E+00 33 HISB H 34 ILE H 2.9 1.00E+00 34 ILE H 35 VAL H 2.9 1.00E+00 35 VAL H 36 TRP H 2.9 1.00E+00 36 TRP H 37 ALA H 2.9 1.00E+00 37 ALA H 38 SER H 2.9 1.00E+00 38 SER H 39 ARG H 2.9 1.00E+00 39 ARG H 40 GLU H 2.9 1.00E+00 40 GLU H 41 LEU H 2.9 1.00E+00 41 LEU H 42 GLU H 2.9 1.00E+00 42 GLU H 43 ARG H 2.9 1.00E+00 43 ARG H 44 PHE H 2.9 1.00E+00 44 PHE H 45 ALA H 2.9 1.00E+00 31 LEU H 33 HISB H 5.0 1.00E+00 32 LYS H 34 ILE H 5.0 1.00E+00 33 HISB H 35 VAL H 5.0 1.00E+00 34 ILE H 36 TRP H 5.0 1.00E+00 35 VAL H 37 ALA H 5.0 1.00E+00 36 TRP H 38 SER H 5.0 1.00E+00 37 ALA H 39 ARG H 5.0 1.00E+00 38 SER H 40 GLU H 5.0 1.00E+00 39 ARG H 41 LEU H 5.0 1.00E+00 40 GLU H 42 GLU H 5.0 1.00E+00 41 LEU H 43 ARG H 5.0 1.00E+00 42 GLU H 44 PHE H 5.0 1.00E+00 43 ARG H 45 ALA H 5.0 1.00E+00 44 PHE H 46 VAL H 5.0 1.00E+00 30 LYS H 33 HISB H 5.0 1.00E+00 31 LEU H 34 ILE H 5.0 1.00E+00 32 LYS H 35 VAL H 5.0 1.00E+00 35 VAL H 38 SER H 5.0 1.00E+00 36 TRP H 39 ARG H 5.0 1.00E+00 37 ALA H 40 GLU H 5.0 1.00E+00 38 SER H 41 LEU H 5.0 1.00E+00 40 GLU H 43 ARG H 5.0 1.00E+00 41 LEU H 44 PHE H 5.0 1.00E+00 30 LYS HA 31 LEU H 2.7 1.00E+00 43 ARG HA 45 ALA H 5.0 1.00E+00 31 LEU HA 34 ILE H 5.0 1.00E+00 32 LYS HA 35 VAL H 5.0 1.00E+00 33 HISB HA 36 TRP H 5.0 1.00E+00 34 ILE HA 37 ALA H 5.0 1.00E+00 35 VAL HA 38 SER H 5.0 1.00E+00 36 TRP HA 39 ARG H 5.0 1.00E+00 37 ALA HA 40 GLU H 5.0 1.00E+00 38 SER HA 41 LEU H 5.0 1.00E+00 39 ARG HA 42 GLU H 5.0 1.00E+00 40 GLU HA 43 ARG H 5.0 1.00E+00 41 LEU HA 44 PHE H 5.0 1.00E+00 42 GLU HA 45 ALA H 5.0 1.00E+00 32 LYS HA 36 TRP H 5.0 1.00E+00 33 HISB HA 37 ALA H 5.0 1.00E+00 31 LEU HA 34 ILE HB 3.3 1.00E+00 32 LYS HA 35 VAL HB 3.3 1.00E+00 33 HISB HA 36 TRP QB 3.3 1.00E+00 34 ILE HA 37 ALA QB 3.3 1.00E+00 35 VAL HA 38 SER QB 3.3 1.00E+00 36 TRP HA 39 ARG QB 3.3 1.00E+00 37 ALA HA 40 GLU HB2 3.3 1.00E+00 37 ALA HA 40 GLU HB3 3.3 1.00E+00 38 SER HA 41 LEU QB 3.3 1.00E+00 39 ARG HA 42 GLU QB 3.3 1.00E+00 40 GLU HA 43 ARG QB 3.3 1.00E+00 41 LEU HA 44 PHE HB2 5.0 1.00E+00 45 ALA HA 46 VAL H 3.3 1.00E+00 46 VAL HA 47 ASN H 2.7 1.00E+00 47 ASN HA 48 PRO HD3 2.7 1.00E+00 47 ASN HA 48 PRO HD2 2.7 1.00E+00 49 GLY H 50 LEU H 2.7 1.00E+00 50 LEU H 51 LEU H 2.7 1.00E+00 51 LEU H 52 GLU H 2.7 1.00E+00 52 GLU H 53 THR H 2.7 1.00E+00 49 GLY H 51 LEU H 5.0 1.00E+00 50 LEU H 52 GLU H 5.0 1.00E+00 51 LEU H 53 THR H 5.0 1.00E+00 52 GLU HA 53 THR H 3.3 1.00E+00 48 PRO HA 50 LEU H 5.0 1.00E+00 50 LEU HA 53 THR H 5.0 1.00E+00 48 PRO HA 51 LEU QB 5.0 1.00E+00 54 SER H 55 GLU H 2.9 1.00E+00 55 GLU H 56 GLY H 2.9 1.00E+00 56 GLY H 57 CYS H 2.9 1.00E+00 57 CYS H 58 ARG H 2.9 1.00E+00 58 ARG H 59 GLN H 2.9 1.00E+00 59 GLN H 60 ILE H 2.9 1.00E+00 60 ILE H 61 LEU H 2.9 1.00E+00 61 LEU H 62 GLY H 2.9 1.00E+00 62 GLY H 63 GLN H 2.9 1.00E+00 63 GLN H 64 LEU H 2.9 1.00E+00 64 LEU H 65 GLN H 2.9 1.00E+00 53 THR H 55 GLU H 5.0 1.00E+00 54 SER H 56 GLY H 5.0 1.00E+00 55 GLU H 57 CYS H 5.0 1.00E+00 56 GLY H 58 ARG H 5.0 1.00E+00 57 CYS H 59 GLN H 5.0 1.00E+00 58 ARG H 60 ILE H 5.0 1.00E+00 59 GLN H 61 LEU H 5.0 1.00E+00 60 ILE H 62 GLY H 5.0 1.00E+00 61 LEU H 63 GLN H 5.0 1.00E+00 62 GLY H 64 LEU H 5.0 1.00E+00 63 GLN H 65 GLN H 5.0 1.00E+00 53 THR H 56 GLY H 5.0 1.00E+00 53 THR H 57 CYS H 5.0 1.00E+00 53 THR HA 54 SER H 2.7 1.00E+00 54 SER HA 57 CYS H 5.0 1.00E+00 55 GLU HA 58 ARG H 5.0 1.00E+00 56 GLY HA2 59 GLN H 5.0 1.00E+00 57 CYS HA 60 ILE H 5.0 1.00E+00 58 ARG HA 61 LEU H 5.0 1.00E+00 59 GLN HA 62 GLY H 5.0 1.00E+00 60 ILE HA 63 GLN H 5.0 1.00E+00 61 LEU HA 64 LEU H 5.0 1.00E+00 62 GLY QA 65 GLN H 5.0 1.00E+00 58 ARG HA 62 GLY H 5.0 1.00E+00 55 GLU HA 58 ARG QB 3.3 1.00E+00 56 GLY HA2 59 GLN QB 3.3 1.00E+00 57 CYS HA 60 ILE HB 5.0 1.00E+00 58 ARG HA 61 LEU HB3 5.0 1.00E+00 60 ILE HA 63 GLN QB 3.3 1.00E+00 61 LEU HA 64 LEU HB3 5.0 1.00E+00 62 GLY QA 65 GLN HB2 5.0 1.00E+00 67 SER H 68 LEU H 2.9 1.00E+00 68 LEU H 69 GLN H 2.9 1.00E+00 69 GLN H 70 THR H 2.9 1.00E+00 70 THR H 71 GLY H 2.9 1.00E+00 67 SER H 69 GLN H 5.0 1.00E+00 68 LEU H 70 THR H 5.0 1.00E+00 69 GLN H 71 GLY H 5.0 1.00E+00 71 GLY HA2 72 SER H 2.7 1.00E+00 71 GLY HA3 72 SER H 3.3 1.00E+00 65 GLN HA 67 SER H 5.0 1.00E+00 66 PRO HA 68 LEU H 5.0 1.00E+00 67 SER HA 69 GLN H 5.0 1.00E+00 68 LEU HA 70 THR H 5.0 1.00E+00 69 GLN HA 71 GLY H 5.0 1.00E+00 64 LEU HA 67 SER H 5.0 1.00E+00 65 GLN HA 68 LEU H 5.0 1.00E+00 66 PRO HA 69 GLN H 5.0 1.00E+00 67 SER HA 70 THR H 5.0 1.00E+00 68 LEU HA 71 GLY H 5.0 1.00E+00 73 GLU H 74 GLU H 2.9 1.00E+00 74 GLU H 75 LEU H 2.9 1.00E+00 75 LEU H 76 ARG H 2.9 1.00E+00 76 ARG H 77 SER H 2.9 1.00E+00 77 SER H 78 LEU H 2.9 1.00E+00 78 LEU H 79 TYR H 2.9 1.00E+00 79 TYR H 80 ASN H 2.9 1.00E+00 80 ASN H 81 THR H 2.9 1.00E+00 81 THR H 82 ILE H 2.9 1.00E+00 82 ILE H 83 ALA H 2.9 1.00E+00 83 ALA H 84 VAL H 2.9 1.00E+00 84 VAL H 85 LEU H 2.9 1.00E+00 85 LEU H 86 TYR H 2.9 1.00E+00 86 TYR H 87 CYS H 2.9 1.00E+00 87 CYS H 88 VAL H 2.9 1.00E+00 88 VAL H 89 HIS+ H 2.9 1.00E+00 89 HIS+ H 90 GLN H 2.9 1.00E+00 90 GLN H 91 ARG H 2.9 1.00E+00 91 ARG H 92 ILE H 2.9 1.00E+00 73 GLU H 75 LEU H 5.0 1.00E+00 74 GLU H 76 ARG H 5.0 1.00E+00 75 LEU H 77 SER H 5.0 1.00E+00 76 ARG H 78 LEU H 5.0 1.00E+00 77 SER H 79 TYR H 5.0 1.00E+00 78 LEU H 80 ASN H 5.0 1.00E+00 79 TYR H 81 THR H 5.0 1.00E+00 80 ASN H 82 ILE H 5.0 1.00E+00 81 THR H 83 ALA H 5.0 1.00E+00 83 ALA H 85 LEU H 5.0 1.00E+00 84 VAL H 86 TYR H 5.0 1.00E+00 85 LEU H 87 CYS H 5.0 1.00E+00 86 TYR H 88 VAL H 5.0 1.00E+00 87 CYS H 89 HIS+ H 5.0 1.00E+00 88 VAL H 90 GLN H 5.0 1.00E+00 89 HIS+ H 91 ARG H 5.0 1.00E+00 90 GLN H 92 ILE H 5.0 1.00E+00 72 SER H 75 LEU H 5.0 1.00E+00 73 GLU H 76 ARG H 5.0 1.00E+00 75 LEU H 78 LEU H 5.0 1.00E+00 76 ARG H 79 TYR H 5.0 1.00E+00 77 SER H 80 ASN H 5.0 1.00E+00 72 SER HA 73 GLU H 2.7 1.00E+00 72 SER HB2 74 GLU H 5.0 1.00E+00 73 GLU HA 76 ARG H 5.0 1.00E+00 74 GLU HA 77 SER H 5.0 1.00E+00 75 LEU HA 78 LEU H 5.0 1.00E+00 76 ARG HA 79 TYR H 5.0 1.00E+00 77 SER HA 80 ASN H 5.0 1.00E+00 78 LEU HA 81 THR H 5.0 1.00E+00 79 TYR HA 82 ILE H 5.0 1.00E+00 80 ASN HA 83 ALA H 5.0 1.00E+00 81 THR HA 84 VAL H 5.0 1.00E+00 82 ILE HA 85 LEU H 5.0 1.00E+00 83 ALA HA 86 TYR H 5.0 1.00E+00 84 VAL HA 87 CYS H 5.0 1.00E+00 85 LEU HA 88 VAL H 5.0 1.00E+00 86 TYR HA 89 HIS+ H 5.0 1.00E+00 87 CYS HA 90 GLN H 5.0 1.00E+00 88 VAL HA 91 ARG H 5.0 1.00E+00 75 LEU HA 79 TYR H 5.0 1.00E+00 76 ARG HA 80 ASN H 5.0 1.00E+00 80 ASN HA 84 VAL H 5.0 1.00E+00 82 ILE HA 86 TYR H 5.0 1.00E+00 85 LEU HA 89 HIS+ H 5.0 1.00E+00 86 TYR HA 90 GLN H 5.0 1.00E+00 73 GLU HA 76 ARG QB 3.3 1.00E+00 74 GLU HA 77 SER QB 5.0 1.00E+00 75 LEU HA 78 LEU QB 3.3 1.00E+00 76 ARG HA 79 TYR QB 3.3 1.00E+00 77 SER HA 80 ASN QB 3.3 1.00E+00 78 LEU HA 81 THR HB 3.3 1.00E+00 79 TYR HA 82 ILE HB 5.0 1.00E+00 80 ASN HA 83 ALA QB 3.3 1.00E+00 81 THR HA 84 VAL HB 3.3 1.00E+00 82 ILE HA 85 LEU QB 3.3 1.00E+00 83 ALA HA 86 TYR QB 3.3 1.00E+00 84 VAL HA 87 CYS QB 3.3 1.00E+00 85 LEU HA 88 VAL HB 3.3 1.00E+00 86 TYR HA 89 HIS+ QB 3.3 1.00E+00 87 CYS HA 90 GLN QB 3.3 1.00E+00 91 ARG H 92 ILE H 2.7 1.00E+00 92 ILE HA 93 ASP H 2.7 1.00E+00 93 ASP HA 94 VAL H 2.7 1.00E+00 94 VAL HA 95 LYS H 2.7 1.00E+00 95 LYS H 96 ASP H 2.7 1.00E+00 19 ILE HA 95 LYS HA 5.0 1.00E+00 20 ARG HA 96 ASP HA 5.0 1.00E+00 95 LYS H 96 ASP H 2.9 1.00E+00 97 THR H 98 LYS H 2.9 1.00E+00 94 VAL HA 95 LYS H 2.7 1.00E+00 94 VAL HA 96 ASP H 5.0 1.00E+00 96 ASP HA 97 THR H 2.7 1.00E+00 20 ARG H 96 ASP HA 2.7 1.00E+00 97 THR H 21 LEU HA 5.0 1.00E+00 97 THR H 22 ARG HA 5.0 1.00E+00 97 THR H 23 PRO HD3 5.0 1.00E+00 20 ARG H 97 THR H 5.0 1.00E+00 20 ARG H 96 ASP H 5.0 1.00E+00 97 THR H 98 LYS H 2.9 1.00E+00 98 LYS H 99 GLU H 2.9 1.00E+00 99 GLU H 100 ALA H 2.9 1.00E+00 100 ALA H 101 LEU H 2.9 1.00E+00 101 LEU H 102 ASP H 2.9 1.00E+00 102 ASP H 103 LYS H 2.9 1.00E+00 103 LYS H 104 ILE H 2.9 1.00E+00 104 ILE H 105 GLU H 2.9 1.00E+00 105 GLU H 106 GLU H 2.9 1.00E+00 106 GLU H 107 GLU H 2.9 1.00E+00 107 GLU H 108 GLN H 2.9 1.00E+00 108 GLN H 109 ASN H 2.9 1.00E+00 109 ASN H 110 LYS H 2.9 1.00E+00 110 LYS H 111 SER H 2.9 1.00E+01 111 SER H 112 LYS H 2.9 1.00E+00 112 LYS H 113 LYS H 2.9 1.00E+00 113 LYS H 114 LYS H 2.9 1.00E+00 114 LYS H 115 ALA H 2.9 1.00E+00 115 ALA H 116 GLN H 2.9 1.00E+00 116 GLN H 117 GLN H 2.9 1.00E+00 117 GLN H 118 ALA H 2.9 1.00E+00 118 ALA H 119 ALA H 2.9 1.00E+00 97 THR H 99 GLU H 5.0 1.00E+00 98 LYS H 100 ALA H 5.0 1.00E+00 99 GLU H 101 LEU H 5.0 1.00E+00 100 ALA H 102 ASP H 5.0 1.00E+00 101 LEU H 103 LYS H 5.0 1.00E+00 102 ASP H 104 ILE H 5.0 1.00E+00 103 LYS H 105 GLU H 5.0 1.00E+00 104 ILE H 106 GLU H 5.0 1.00E+00 105 GLU H 107 GLU H 5.0 1.00E+00 106 GLU H 108 GLN H 5.0 1.00E+00 107 GLU H 109 ASN H 5.0 1.00E+00 108 GLN H 110 LYS H 5.0 1.00E+00 109 ASN H 111 SER H 5.0 1.00E+00 110 LYS H 112 LYS H 5.0 1.00E+00 111 SER H 113 LYS H 5.0 1.00E+00 112 LYS H 114 LYS H 5.0 1.00E+00 113 LYS H 115 ALA H 5.0 1.00E+00 114 LYS H 116 GLN H 5.0 1.00E+00 115 ALA H 117 GLN H 5.0 1.00E+00 116 GLN H 118 ALA H 5.0 1.00E+00 117 GLN H 119 ALA H 5.0 1.00E+00 120 ALA H 122 THR H 5.0 1.00E+00 98 LYS H 101 LEU H 5.0 1.00E+00 99 GLU H 102 ASP H 5.0 1.00E+00 100 ALA H 103 LYS H 5.0 1.00E+00 102 ASP H 105 GLU H 5.0 1.00E+00 103 LYS H 106 GLU H 5.0 1.00E+00 104 ILE H 107 GLU H 5.0 1.00E+00 105 GLU H 108 GLN H 5.0 1.00E+00 106 GLU H 109 ASN H 5.0 1.00E+00 96 ASP H 100 ALA H 5.0 1.00E+00 97 THR HA 100 ALA H 5.0 1.00E+00 98 LYS HA 101 LEU H 5.0 1.00E+00 99 GLU HA 102 ASP H 5.0 1.00E+00 100 ALA HA 103 LYS H 5.0 1.00E+00 101 LEU HA 104 ILE H 5.0 1.00E+00 102 ASP HA 105 GLU H 5.0 1.00E+00 103 LYS HA 106 GLU H 5.0 1.00E+00 104 ILE HA 107 GLU H 5.0 1.00E+00 105 GLU HA 108 GLN H 5.0 1.00E+00 106 GLU HA 109 ASN H 5.0 1.00E+00 98 LYS HA 102 ASP H 5.0 1.00E+00 101 LEU HA 105 GLU H 5.0 1.00E+00 97 THR HA 100 ALA QB 3.3 1.00E+00 98 LYS HA 101 LEU QB 3.3 1.00E+00 99 GLU HA 102 ASP QB 3.3 1.00E+00 100 ALA HA 103 LYS QB 3.3 1.00E+00 101 LEU HA 104 ILE HB 3.3 1.00E+00 102 ASP HA 105 GLU QB 3.3 1.00E+00 103 LYS HA 106 GLU QB 3.3 1.00E+00 104 ILE HA 107 GLU QB 3.3 1.00E+00 105 GLU HA 108 GLN QB 3.3 1.00E+00 106 GLU HA 109 ASN QB 3.3 1.00E+00 108 GLN HA 111 SER QB 3.3 1.00E+00 109 ASN HA 112 LYS QB 3.3 1.00E+00 111 SER HA 114 LYS QB 3.3 1.00E-01 112 LYS HA 115 ALA QB 3.3 1.00E-01 116 GLN HA 119 ALA QB 3.8 1.00E-01 117 GLN HA 120 ALA QB 3.8 1.00E-01 118 ALA HA 121 ASP QB 5.0 1.00E-01 119 ALA HA 122 THR QG2 5.0 1.00E-01 7 VAL H 7 VAL HB 2.7 1.00E+00 7 VAL H 8 LEU H 2.7 1.00E+00 7 VAL HB 8 LEU H 2.7 1.00E+00 7 VAL HB 34 ILE QG2 3.3 1.00E+00 7 VAL HB 34 ILE QD1 5.0 1.00E+00 7 VAL QG2 34 ILE QG2 3.3 1.00E+00 7 VAL QG1 34 ILE QG2 3.3 1.00E+00 7 VAL QG1 51 LEU QD1 5.0 1.00E+00 7 VAL QG2 51 LEU QD1 5.0 1.00E+00 7 VAL HA 52 GLU HA 2.7 1.00E+00 7 VAL QG1 85 LEU QD2 3.3 1.00E+00 7 VAL QG1 85 LEU QD1 5.0 1.00E+00 7 VAL QG1 89 HIS+ HE1 3.3 1.00E+00 8 LEU HA 8 LEU QD2 2.7 1.00E+00 8 LEU HG 8 LEU H 3.3 1.00E+00 8 LEU HA 9 SER H 2.7 1.00E+00 8 LEU QD2 9 SER H 5.0 1.00E+00 8 LEU QD1 12 GLU QB 5.0 1.00E+00 8 LEU QD2 12 GLU QB 5.0 1.00E+00 8 LEU HB3 13 LEU H 3.3 1.00E+00 8 LEU QD1 13 LEU H 5.0 1.00E+00 8 LEU QD1 13 LEU HA 2.7 1.00E+00 8 LEU QB 13 LEU QQD 5.0 1.00E+00 8 LEU QD1 16 TRP H 5.0 1.00E+00 8 LEU QD1 16 TRP HD1 5.0 1.00E+00 8 LEU QD1 16 TRP HB2 2.7 1.00E+00 8 LEU QD1 16 TRP HB3 2.7 1.00E+00 8 LEU H 34 ILE QD1 5.0 1.00E+00 8 LEU HG 34 ILE QD1 3.3 1.00E+00 8 LEU QD1 34 ILE QD1 3.3 1.00E+00 8 LEU QD2 85 LEU QD1 5.0 1.00E+00 8 LEU QD2 85 LEU QD2 5.0 1.00E+00 8 LEU QD2 88 VAL QG1 5.0 1.00E+00 8 LEU QD2 89 HIS+ HE1 2.7 1.00E+00 8 LEU HG 89 HIS+ HE1 5.0 1.00E+00 8 LEU H 89 HIS+ HE1 5.0 1.00E+00 9 SER HA 9 SER HB2 2.7 1.00E+00 9 SER HA 9 SER HB3 2.7 1.00E+00 9 SER H 9 SER HB3 3.3 1.00E+00 9 SER HB2 10 GLY H 3.3 1.00E+00 9 SER H 12 GLU HB2 2.7 1.00E+00 9 SER H 12 GLU HG3 2.7 1.00E+00 9 SER H 12 GLU H 5.0 1.00E+00 9 SER H 13 LEU H 5.0 1.00E+00 9 SER HB2 12 GLU H 5.0 1.00E+00 9 SER HB3 12 GLU H 5.0 1.00E+00 9 SER H 89 HIS+ HE1 5.0 1.00E+00 10 GLY H 13 LEU QQD 5.5 1.00E+00 10 GLY H 13 LEU HB2 5.5 1.00E+00 10 GLY H 13 LEU HB3 5.5 1.00E+00 12 GLU H 12 GLU HB2 2.7 1.00E+00 12 GLU H 12 GLU HG3 2.7 1.00E+00 12 GLU HA 88 VAL QG1 3.3 1.00E+00 13 LEU HG 14 ASP H 5.0 1.00E+00 13 LEU HA 16 TRP HD1 5.0 1.00E+00 13 LEU QQD 16 TRP HD1 3.3 1.00E+00 13 LEU QQD 17 GLU H 5.0 1.00E+00 13 LEU QQD 34 ILE QD1 5.0 1.00E+00 16 TRP HD1 16 TRP HB3 3.3 1.00E+00 16 TRP HE3 16 TRP HA 3.3 1.00E+00 16 TRP HE3 16 TRP HB2 3.3 1.00E+00 16 TRP HB3 17 GLU H 2.7 1.00E+00 16 TRP HD1 17 GLU HA 5.0 1.00E+00 16 TRP HD1 17 GLU HG2 3.3 1.00E+00 16 TRP HD1 17 GLU HG3 3.3 1.00E+00 16 TRP HA 19 ILE QD1 3.3 1.00E+00 16 TRP HE3 19 ILE QD1 5.0 1.00E+00 16 TRP HD1 30 LYS H 5.0 1.00E+00 16 TRP HE1 30 LYS H 5.0 1.00E+00 16 TRP HE1 30 LYS HA 5.0 1.00E+00 16 TRP HD1 30 LYS HA 3.3 1.00E+00 16 TRP HE1 31 LEU H 5.0 1.00E+00 16 TRP HE1 31 LEU HA 3.3 1.00E+00 16 TRP HZ2 34 ILE H 3.3 1.00E+00 16 TRP HE1 34 ILE QD1 3.3 1.00E+00 16 TRP HD1 34 ILE QD1 5.0 1.00E+00 16 TRP HZ2 34 ILE QD1 5.0 1.00E+00 16 TRP HE1 34 ILE HG13 3.3 1.00E+00 16 TRP HE1 34 ILE HG12 5.0 1.00E+00 16 TRP HE1 34 ILE H 5.0 1.00E+00 16 TRP HH2 81 THR QG2 2.7 1.00E+00 16 TRP HH2 81 THR HA 5.0 1.00E+00 16 TRP HZ3 84 VAL QG1 2.7 1.00E+00 16 TRP HZ3 84 VAL HB 2.7 1.00E+00 16 TRP HE3 85 LEU HA 5.0 1.00E+00 16 TRP HZ3 85 LEU HA 3.3 1.00E+00 16 TRP HZ3 85 LEU QD1 3.3 1.00E+00 16 TRP H 88 VAL QG1 5.0 1.00E+00 16 TRP H 88 VAL QG2 5.0 1.00E+00 16 TRP HA 88 VAL QG1 5.0 1.00E+00 16 TRP HA 88 VAL QG2 5.0 1.00E+00 16 TRP HE3 88 VAL QG2 3.3 1.00E+00 16 TRP HE3 88 VAL QG1 5.0 1.00E+00 17 GLU QB 18 LYS H 3.3 1.00E+00 17 GLU HA 29 TYR HB2 5.0 1.00E+00 17 GLU HA 29 TYR HB3 5.0 1.00E+00 18 LYS HA 28 GLN HB3 5.0 1.00E+00 18 LYS HA 28 GLN HG2 5.0 1.00E+00 19 ILE H 28 GLN QB 5.0 1.00E+00 19 ILE H 29 TYR HD2 5.0 1.00E+00 19 ILE HB 29 TYR HD2 2.7 1.00E+00 19 ILE QG2 29 TYR HD2 2.7 1.00E+00 19 ILE QG2 29 TYR HE2 3.3 1.00E+00 19 ILE QG2 84 VAL QG2 5.0 1.00E+00 19 ILE QG2 84 VAL QG1 5.0 1.00E+00 19 ILE QD1 84 VAL QG1 3.3 1.00E+00 19 ILE HG12 94 VAL QG2 3.3 1.00E+00 19 ILE QD1 94 VAL QQG 5.0 1.00E+00 19 ILE QG2 96 ASP HA 2.7 1.00E+00 19 ILE QG2 96 ASP H 5.0 1.00E+00 19 ILE QG2 97 THR H 5.0 1.00E+00 20 ARG QB 22 ARG H 3.3 1.00E+00 21 LEU HA 21 LEU QD2 2.7 1.00E+00 21 LEU HG 21 LEU H 2.7 1.00E+00 21 LEU HG 28 GLN HA 5.0 1.00E+00 21 LEU QD2 29 TYR QE 3.3 1.00E+00 21 LEU QD2 29 TYR QD 3.3 1.00E+00 21 LEU QD2 29 TYR HA 3.3 1.00E+00 21 LEU QD2 29 TYR H 5.0 1.00E+00 21 LEU QD2 33 HISB HE1 5.0 1.00E+00 21 LEU QD1 33 HISB HE1 5.0 1.00E+00 21 LEU HA 97 THR H 5.0 1.00E+00 22 ARG H 96 ASP HB2 5.0 1.00E+00 22 ARG H 96 ASP HB3 5.0 1.00E+00 22 ARG H 97 THR H 5.0 1.00E+00 22 ARG HA 97 THR H 5.0 1.00E+00 22 ARG HA 97 THR HB 5.0 1.00E+00 22 ARG HA 98 LYS H 5.0 1.00E+00 23 PRO HB2 24 GLY H 3.3 1.00E+00 23 PRO HD2 24 GLY H 5.0 1.00E+00 23 PRO HA 96 ASP HB2 3.3 1.00E+00 23 PRO HA 96 ASP HB3 3.3 1.00E+00 23 PRO HA 96 ASP HB2 3.3 1.00E+00 23 PRO HA 96 ASP HB3 3.3 1.00E+00 23 PRO HA 97 THR H 5.0 1.00E+00 23 PRO HD3 97 THR HB 5.0 1.00E+00 23 PRO HA 98 LYS H 5.0 1.00E+00 26 LYS H 26 LYS QB 2.7 1.00E+00 27 LYS H 27 LYS QB 2.7 1.00E+00 29 TYR H 29 TYR HD2 3.3 1.00E+00 29 TYR HD1 33 HISB HE1 5.0 1.00E+00 29 TYR HA 33 HISB HE1 3.3 1.00E+00 29 TYR HD1 33 HISB QB 2.7 1.00E+00 29 TYR HA 33 HISB QB 5.0 1.00E+00 29 TYR HE1 81 THR HA 3.3 1.00E+00 29 TYR HE1 81 THR QG2 3.3 1.00E+00 29 TYR HD1 81 THR QG2 5.0 1.00E+00 29 TYR HE2 84 VAL QG1 5.0 1.00E+00 29 TYR HE2 84 VAL QG2 5.0 1.00E+00 29 TYR HE2 84 VAL HB 5.0 1.00E+00 29 TYR HD2 84 VAL HB 5.0 1.00E+00 29 TYR HE2 97 THR H 5.0 1.00E+00 29 TYR HE2 97 THR HA 5.0 1.00E+00 29 TYR HE2 97 THR QG2 5.0 1.00E+00 30 LYS H 33 HISB HE1 2.7 1.00E+00 30 LYS QB 33 HISB HE1 3.3 1.00E+00 31 LEU HA 31 LEU QQD 2.7 1.00E+00 31 LEU H 31 LEU QQD 3.3 1.00E+00 31 LEU HA 34 ILE QD1 3.3 1.00E+00 31 LEU QQD 34 ILE QD1 5.0 1.00E+00 33 HISB HD2 33 HISB H 5.0 1.00E+00 33 HISB HD2 33 HISB HA 2.9 1.00E+00 33 HISB HA 36 TRP HE3 5.0 1.00E+00 34 ILE H 34 ILE HB 2.7 1.00E+00 34 ILE HB 35 VAL H 2.7 1.00E+00 34 ILE QG2 35 VAL QG2 5.0 1.00E+00 34 ILE HA 81 THR QG2 5.0 1.00E+00 34 ILE QD1 85 LEU QD1 5.0 1.00E+00 34 ILE QG2 85 LEU QD1 5.0 1.00E+00 35 VAL HA 35 VAL QG1 2.7 1.00E+00 35 VAL HA 35 VAL QG2 2.7 1.00E+00 35 VAL H 35 VAL QG2 2.7 1.00E+00 35 VAL H 35 VAL HB 2.7 1.00E+00 35 VAL HB 36 TRP H 2.7 1.00E+00 36 TRP HE3 37 ALA H 3.3 1.00E+00 36 TRP HZ2 74 GLU HA 5.0 1.00E+00 36 TRP HZ2 74 GLU QG 5.0 1.00E+00 36 TRP HH2 78 LEU H 3.3 1.00E+00 36 TRP HZ3 78 LEU HA 2.7 1.00E+00 36 TRP HZ3 78 LEU QD1 5.0 1.00E+00 36 TRP HZ3 81 THR H 5.0 1.00E+00 37 ALA QB 38 SER H 3.3 1.00E+00 37 ALA HA 78 LEU QD1 2.7 1.00E+00 37 ALA QB 78 LEU QD1 3.3 1.00E+00 37 ALA QB 81 THR QG2 3.3 1.00E+00 37 ALA QB 81 THR HB 5.0 1.00E+00 38 SER HA 51 LEU QD1 2.7 1.00E+00 38 SER H 51 LEU QD1 3.3 1.00E+00 40 GLU QB 78 LEU QD1 3.3 1.00E+00 41 LEU HA 46 VAL HB 3.3 1.00E+00 41 LEU QD2 46 VAL HB 2.7 1.00E+00 41 LEU HA 46 VAL QG2 5.0 1.00E+00 41 LEU QD1 48 PRO HA 2.7 1.00E+00 41 LEU QD1 48 PRO HB3 5.0 1.00E+00 41 LEU QD1 51 LEU HG 2.7 1.00E+00 41 LEU QD1 51 LEU QD2 3.3 1.00E+00 41 LEU QD1 60 ILE QD1 3.3 1.00E+00 41 LEU QD1 60 ILE QG2 5.0 1.00E+00 41 LEU QD2 64 LEU QD1 5.0 1.00E+00 41 LEU H 78 LEU QD1 5.0 1.00E+00 41 LEU QD2 78 LEU QD1 5.0 1.00E+00 41 LEU QD2 78 LEU QD2 5.0 1.00E+00 42 GLU H 48 PRO HB3 5.0 1.00E+00 42 GLU H 48 PRO HG3 5.0 1.00E+00 42 GLU H 48 PRO HD3 5.0 1.00E+00 44 PHE HB2 44 PHE H 2.7 1.00E+00 44 PHE HB3 46 VAL QG2 5.0 1.00E+00 44 PHE HB2 46 VAL QG2 5.0 1.00E+00 44 PHE HZ 75 LEU HA 5.0 1.00E+00 44 PHE HZ 75 LEU QD1 5.0 1.00E+00 46 VAL HB 46 VAL H 2.7 1.00E+00 46 VAL HA 46 VAL QG1 2.7 1.00E+00 46 VAL HA 46 VAL QG2 2.7 1.00E+00 46 VAL H 46 VAL QG2 2.7 1.00E+00 46 VAL QG1 47 ASN H 2.7 1.00E+00 46 VAL QG2 50 LEU QD1 3.3 1.00E+00 46 VAL QG1 60 ILE HA 5.0 1.00E+00 46 VAL QG1 60 ILE QG2 5.0 1.00E+00 46 VAL QG2 63 GLN QB 5.0 1.00E+00 47 ASN HA 49 GLY H 5.0 1.00E+00 47 ASN QB 49 GLY H 5.0 1.00E+00 47 ASN QB 50 LEU QD1 5.0 1.00E+00 47 ASN H 50 LEU QD1 5.0 1.00E+00 47 ASN QB 50 LEU H 5.0 1.00E+00 48 PRO HD2 49 GLY H 2.9 1.00E+00 50 LEU H 50 LEU HG 2.7 1.00E+00 50 LEU HA 50 LEU HG 3.3 1.00E+00 50 LEU HA 50 LEU QD2 2.7 1.00E+00 50 LEU H 50 LEU HB2 2.7 1.00E+00 50 LEU HA 56 GLY HA3 3.3 1.00E+00 50 LEU QD2 56 GLY HA3 3.3 1.00E+00 50 LEU QD2 56 GLY HA2 3.3 1.00E+00 51 LEU HA 51 LEU QD2 2.7 1.00E+00 51 LEU HG 51 LEU H 2.7 1.00E+00 51 LEU HG 51 LEU HA 3.3 1.00E+00 51 LEU QD2 57 CYS HA 5.0 1.00E+00 51 LEU HA 57 CYS HA 5.0 1.00E+00 51 LEU HA 60 ILE QD1 3.3 1.00E+00 51 LEU HG 60 ILE QD1 5.0 1.00E+00 51 LEU QD2 60 ILE QD1 3.3 1.00E+00 51 LEU QD2 85 LEU QD2 3.3 1.00E+00 51 LEU QD1 85 LEU QD2 5.0 1.00E+00 52 GLU QG 53 THR QG2 3.3 1.00E+00 53 THR H 53 THR QG2 2.7 1.00E+00 53 THR QG2 56 GLY H 5.0 1.00E+00 53 THR HA 89 HIS+ HD2 5.0 1.00E+00 54 SER HA 86 TYR HD2 3.3 1.00E+00 54 SER HA 86 TYR HE2 5.0 1.00E+00 54 SER QB 86 TYR HD2 5.0 1.00E+00 54 SER QB 86 TYR HE2 5.0 1.00E+00 54 SER HA 89 HIS+ HB2 3.3 1.00E+00 54 SER HA 89 HIS+ HB3 5.0 1.00E+00 54 SER HA 89 HIS+ HD2 3.3 1.00E+00 54 SER H 89 HIS+ HD2 5.0 1.00E+00 54 SER H 89 HIS+ HB3 3.3 1.00E+00 57 CYS HB2 86 TYR HD2 2.7 1.00E+00 57 CYS HB3 86 TYR H 5.0 1.00E+00 57 CYS HB2 89 HIS+ HD2 5.0 1.00E+00 58 ARG H 86 TYR HD2 3.3 1.00E+00 58 ARG H 86 TYR HE2 5.0 1.00E+00 58 ARG HA 86 TYR HD2 5.0 1.00E+00 58 ARG HA 86 TYR HE2 5.0 1.00E+00 60 ILE H 60 ILE QD1 5.0 1.00E+00 60 ILE H 60 ILE HB 2.7 1.00E+00 60 ILE QG2 61 LEU H 5.0 1.00E+00 60 ILE HB 61 LEU H 2.7 1.00E+00 60 ILE QG2 64 LEU QD1 3.3 1.00E+00 60 ILE QG2 64 LEU HG 3.3 1.00E+00 61 LEU HA 61 LEU QD2 2.7 1.00E+00 61 LEU H 61 LEU HG 2.7 1.00E+00 61 LEU HB2 62 GLY H 3.3 1.00E+00 61 LEU HA 64 LEU QD1 3.3 1.00E+00 61 LEU HA 79 TYR HE1 3.3 1.00E+00 61 LEU HA 79 TYR HD1 3.3 1.00E+00 61 LEU QD2 79 TYR HE1 5.0 1.00E+00 61 LEU QD2 79 TYR HD1 5.0 1.00E+00 61 LEU QD2 79 TYR HA 5.0 1.00E+00 61 LEU QD2 82 ILE QG2 3.3 1.00E+00 61 LEU QD2 82 ILE HB 3.3 1.00E+00 61 LEU H 82 ILE QG2 5.0 1.00E+00 61 LEU QD2 83 ALA HA 5.0 1.00E+00 61 LEU QD1 83 ALA HA 3.3 1.00E+00 61 LEU QD2 83 ALA H 3.3 1.00E+00 61 LEU QD2 83 ALA QB 5.0 1.00E+00 61 LEU QD1 83 ALA QB 5.0 1.00E+00 61 LEU QD1 86 TYR HB2 5.0 1.00E+00 61 LEU QD1 86 TYR HB3 5.0 1.00E+00 61 LEU QD1 104 ILE QD1 5.0 1.00E+00 64 LEU HA 64 LEU HG 3.3 1.00E+00 64 LEU HA 64 LEU QD2 2.7 1.00E+00 64 LEU HA 75 LEU QD1 5.0 1.00E+00 64 LEU QD2 75 LEU QD1 5.0 1.00E+00 64 LEU QD1 78 LEU QD2 5.0 1.00E+00 64 LEU QD2 78 LEU QD2 5.0 1.00E+00 64 LEU QD1 78 LEU HG 3.3 1.00E+00 64 LEU QD1 79 TYR H 5.0 1.00E+00 64 LEU QD1 79 TYR HA 3.3 1.00E+00 64 LEU QD1 79 TYR HD1 3.3 1.00E+00 64 LEU QD1 82 ILE QD1 3.3 1.00E+00 65 GLN H 66 PRO HD2 3.3 1.00E+00 65 GLN H 66 PRO HD3 3.3 1.00E+00 65 GLN QG 79 TYR HE1 5.0 1.00E+00 65 GLN QB 79 TYR HE1 5.0 1.00E+00 65 GLN H 79 TYR HE1 5.0 1.00E+00 65 GLN H 79 TYR HD1 5.0 1.00E+00 65 GLN HA 79 TYR HE1 3.3 1.00E+00 65 GLN HA 79 TYR HD1 5.0 1.00E+00 66 PRO HD2 67 SER H 3.3 1.00E+00 67 SER QB 75 LEU QD1 5.0 1.00E+00 67 SER QB 75 LEU QD2 5.0 1.00E+00 68 LEU H 68 LEU HG 3.3 1.00E+00 68 LEU H 68 LEU HB2 2.7 1.00E+00 68 LEU HA 68 LEU QD2 2.7 1.00E+00 68 LEU HB2 69 GLN H 3.3 1.00E+00 68 LEU HA 75 LEU QD2 2.7 1.00E+00 68 LEU QD2 75 LEU QD2 3.3 1.00E+00 68 LEU QD2 76 ARG HA 3.3 1.00E+00 68 LEU QD2 76 ARG QG 3.3 1.00E+00 68 LEU HG 79 TYR HD1 5.0 1.00E+00 68 LEU HG 79 TYR HE1 5.0 1.00E+00 68 LEU QD1 79 TYR QE 2.7 1.00E+00 68 LEU QD2 79 TYR QD 2.7 1.00E+00 68 LEU QD2 79 TYR HB2 3.3 1.00E+00 68 LEU QD2 79 TYR HB3 3.3 1.00E+00 69 GLN HB3 70 THR H 2.7 1.00E+00 71 GLY HA3 75 LEU QD2 3.3 1.00E+00 71 GLY HA2 75 LEU QD2 5.0 1.00E+00 72 SER H 72 SER HB3 3.3 1.00E+00 72 SER HB2 73 GLU H 2.7 1.00E+00 72 SER H 75 LEU QD2 5.0 1.00E+00 72 SER H 75 LEU QB 5.0 1.00E+00 75 LEU H 75 LEU QB 2.7 1.00E+00 75 LEU HG 79 TYR H 5.0 1.00E+00 78 LEU HA 78 LEU QD1 2.7 1.00E+00 78 LEU HB2 79 TYR H 2.7 1.00E+00 78 LEU HB3 79 TYR H 2.7 1.00E+00 78 LEU HG 82 ILE QD1 3.3 1.00E+00 78 LEU QD1 82 ILE QD1 3.3 1.00E+00 79 TYR HD2 83 ALA QB 5.0 1.00E+00 79 TYR HE2 83 ALA QB 5.0 1.00E+00 79 TYR HE2 101 LEU QD2 3.3 1.00E+00 79 TYR HD2 101 LEU QD2 3.3 1.00E+00 80 ASN HA 97 THR QG2 5.0 1.00E+00 80 ASN QB 97 THR QG2 3.3 1.00E+00 80 ASN HA 101 LEU QD2 3.3 1.00E+00 81 THR HA 81 THR QG2 2.7 1.00E+00 81 THR HB 81 THR H 2.7 1.00E+00 81 THR HB 82 ILE H 2.7 1.00E+00 82 ILE HA 82 ILE QG2 2.7 1.00E+00 82 ILE H 82 ILE HB 2.7 1.00E+00 82 ILE HB 83 ALA H 3.3 1.00E+00 83 ALA QB 100 ALA QB 5.0 1.00E+00 83 ALA QB 101 LEU HA 5.0 1.00E+00 83 ALA QB 101 LEU QD2 2.7 1.00E+00 83 ALA HA 104 ILE QD1 2.7 1.00E+00 83 ALA QB 104 ILE QD1 3.3 1.00E+00 84 VAL H 84 VAL HB 2.7 1.00E+00 84 VAL H 84 VAL QG2 3.3 1.00E+00 84 VAL HA 84 VAL QG2 2.7 1.00E+00 84 VAL HA 84 VAL QG1 2.7 1.00E+00 84 VAL HB 85 LEU H 2.7 1.00E+00 84 VAL QG1 88 VAL QG2 5.0 1.00E+00 84 VAL QG1 94 VAL QG2 5.0 1.00E+00 84 VAL HA 94 VAL QG2 5.0 1.00E+00 84 VAL QG2 97 THR HA 2.7 1.00E+00 84 VAL QG2 100 ALA QB 3.3 1.00E+00 84 VAL H 100 ALA QB 5.0 1.00E+00 84 VAL HA 100 ALA QB 2.7 1.00E+00 85 LEU QD1 85 LEU HA 3.3 1.00E+00 85 LEU HB2 85 LEU H 2.7 1.00E+00 85 LEU HB3 86 TYR H 3.3 1.00E+00 85 LEU HA 88 VAL HB 3.3 1.00E+00 85 LEU HG 88 VAL QG1 5.0 1.00E+00 85 LEU HG 89 HIS+ HD2 5.0 1.00E+00 85 LEU QD2 89 HIS+ HD2 5.0 1.00E+00 85 LEU QD2 89 HIS+ HE1 5.0 1.00E+00 86 TYR H 86 TYR HB2 2.7 1.00E+00 86 TYR H 86 TYR HB3 2.7 1.00E+00 86 TYR HB3 87 CYS H 2.7 1.00E+00 86 TYR HD1 87 CYS H 3.3 1.00E+00 86 TYR HA 89 HIS+ HD2 3.3 1.00E+00 86 TYR QD 90 GLN H 5.0 1.00E+00 86 TYR HD1 104 ILE QD1 2.7 1.00E+00 87 CYS HB3 92 ILE HB 2.7 1.00E+00 87 CYS HA 92 ILE HB 2.7 1.00E+00 87 CYS HB3 92 ILE H 5.0 1.00E+00 87 CYS HA 92 ILE H 5.0 1.00E+00 87 CYS HB3 92 ILE QD1 5.0 1.00E+00 87 CYS HA 92 ILE QD1 3.3 1.00E+00 87 CYS HB3 92 ILE QG2 5.0 1.00E+00 87 CYS HB3 94 VAL QG1 3.3 1.00E+00 87 CYS HB2 100 ALA QB 5.0 1.00E+00 87 CYS HA 104 ILE QD1 5.0 1.00E+00 87 CYS H 104 ILE QD1 5.0 1.00E+00 88 VAL HA 88 VAL QG1 2.7 1.00E+00 88 VAL HA 88 VAL QG2 2.7 1.00E+00 88 VAL H 88 VAL QG2 2.7 1.00E+00 88 VAL H 88 VAL HB 2.7 1.00E+00 88 VAL HB 89 HIS+ H 2.7 1.00E+00 89 HIS+ HD2 89 HIS+ HB2 3.3 1.00E+00 90 GLN HB3 92 ILE QD1 3.3 1.00E+00 92 ILE H 92 ILE HB 2.7 1.00E+00 92 ILE H 92 ILE QD1 5.0 1.00E+00 92 ILE QG2 93 ASP H 2.7 1.00E+00 92 ILE QG2 94 VAL QQG 5.0 1.00E+00 92 ILE QG2 103 LYS QB 5.0 1.00E+00 94 VAL H 94 VAL QG1 3.3 1.00E+00 94 VAL H 94 VAL QG2 3.3 1.00E+00 94 VAL HA 94 VAL HB 2.7 1.00E+00 94 VAL HB 95 LYS H 3.3 1.00E+00 94 VAL HB 96 ASP H 3.3 1.00E+00 94 VAL HB 100 ALA QB 5.0 1.00E+00 94 VAL HB 100 ALA H 3.3 1.00E+00 94 VAL HB 100 ALA HA 5.0 1.00E+00 94 VAL QG1 100 ALA HA 2.7 1.00E+00 96 ASP HA 96 ASP HB2 2.7 1.00E+00 96 ASP HA 96 ASP HB3 2.7 1.00E+00 96 ASP HB2 98 LYS H 3.3 1.00E+00 96 ASP HB2 99 GLU H 5.0 1.00E+00 97 THR HB 97 THR H 3.3 1.00E+00 97 THR HB 98 LYS H 3.3 1.00E+00 101 LEU HA 101 LEU QD2 2.7 1.00E+00 9 SER H 12 GLU OE1 2.0 1.00E+00 9 SER N 12 GLU OE1 3.0 1.00E+00 29 TYR OH 97 THR HG1 2.0 1.00E+00 29 TYR OH 97 THR OG1 3.0 1.00E+00 30 LYS H 33 HISB ND1 2.0 1.00E+00 30 LYS N 33 HISB ND1 3.0 1.00E+00 99 GLU H 96 ASP OD1 2.0 1.00E+00 99 GLU N 96 ASP OD1 3.0 1.00E+00 56 GLY H 53 THR OG1 2.0 1.00E+00 56 GLY N 53 THR OG1 3.0 1.00E+00 89 HIS+ HD1 12 GLU OE2 2.0 1.00E+00 89 HIS+ ND1 12 GLU OE2 3.0 1.00E+00 89 HIS+ HE2 51 LEU O 2.0 1.00E+00 89 HIS+ NE2 51 LEU O 3.0 1.00E+00 300 PC8 Q8b 41 LEU HA 4.0 1.00E+00 300 PC8 Q8b 41 LEU HG 4.0 1.00E+00 300 PC8 Q7b 41 LEU QD2 5.0 1.00E+00 300 PC8 Q6b 41 LEU QD2 5.0 1.00E+00 300 PC8 Q8b 44 PHE HB3 4.5 1.00E+00 300 PC8 Q6b 44 PHE HB3 4.5 1.00E+00 300 PC8 Q5b 44 PHE HB3 4.5 1.00E+00 300 PC8 Q8b 44 PHE HB2 4.5 1.00E+00 300 PC8 Q7b 44 PHE HB2 4.5 1.00E+00 300 PC8 Q6b 44 PHE HB2 4.5 1.00E+00 300 PC8 Q8b 44 PHE QD 5.0 1.00E+00 300 PC8 Q7b 44 PHE QD 5.0 1.00E+00 300 PC8 Q6b 44 PHE QD 5.0 1.00E+00 300 PC8 Q5b 44 PHE QD 5.0 1.00E+00 300 PC8 Q4b 44 PHE QD 5.0 1.00E+00 300 PC8 Q7b 46 VAL QG2 4.5 1.00E+00 300 PC8 Q6b 46 VAL QG2 4.5 1.00E+00 300 PC8 Q7b 60 ILE HA 5.0 1.00E+00 300 PC8 Q6b 60 ILE HA 5.0 1.00E+00 300 PC8 Q8b 60 ILE QG2 5.0 1.00E+00 300 PC8 Q7b 60 ILE QG2 5.0 1.00E+00 300 PC8 Q6b 60 ILE QG2 5.0 1.00E+00 300 PC8 Q8b 63 GLN QB 5.0 1.00E+00 300 PC8 Q7b 63 GLN QB 5.0 1.00E+00 300 PC8 Q6b 63 GLN QB 5.0 1.00E+00 300 PC8 Q8b 64 LEU QD2 3.0 1.00E+00 300 PC8 Q7b 64 LEU QD2 4.5 1.00E+00 300 PC8 Q6b 64 LEU QD2 4.5 1.00E+00 300 PC8 Q5b 64 LEU QD2 4.5 1.00E+00 300 PC8 Q4b 64 LEU QD2 4.5 1.00E+00 300 PC8 Q7b 64 LEU QD1 5.0 1.00E+00 300 PC8 Q6b 64 LEU QD1 5.0 1.00E+00 300 PC8 Q5b 75 LEU HA 5.0 1.00E+00 300 PC8 Q4b 75 LEU HA 5.0 1.00E+00 300 PC8 Q5b 75 LEU QD1 5.0 1.00E+00 300 PC8 Q4b 75 LEU QD1 5.0 1.00E+00 300 PC8 Q3b 75 LEU QD1 5.0 1.00E+00 300 PC8 Q8b 78 LEU HG 4.0 1.00E+00 300 PC8 Q7b 78 LEU HG 5.0 1.00E+00 300 PC8 Q6b 78 LEU HG 5.0 1.00E+00
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