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 |
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650206 |
6wa3   |
30738 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# Restraints file 1: FIV-MA.upl # MYR(+) FIV MATRIX 119 RESTRAINT FILE # STRONG MEDIUM WEAK # NOES 2.7 (2.8) 3.3 5.0 # THE FOLLOWING ADJUSTMENTS ARE MADE AUTOMATICALLY TO Q-CONTAINING # PSEQUDOATOM NAMES WITH CYANA: # # METHYL(CH3) ADD 0.5/METHYL 3.2 3.8 5.5 # METHYLENE(CH2) ADD 0.8/ 3.5 4.1 5.8 # PSEDUOMETHYLS (2 -CH3) ADD 1.5/ 4.2 4.8 6.5 # AROMATIC QR ADD 2.3/ 5 5.6 7.3 # DEGENERATE NOES ARE ADDITIVE. #===================================================== # HELIX I: RESIDUES 7-18, including C-cap #===================================================== # NH(i)-NH(i+1) 6 GLY HA 7 ARG H 2.7 1.00E+00 7 ARG H 8 ASP H 2.8 1.00E+00 8 ASP H 9 TRP H 2.8 1.00E+00 9 TRP H 10 LYS H 2.8 1.00E+00 10 LYS H 11 MET H 2.8 1.00E+00 11 MET H 12 ALA H 2.8 1.00E+00 12 ALA H 13 ILE H 2.8 1.00E+00 13 ILE H 14 LYS H 2.8 1.00E+00 14 LYS H 15 ARG H 2.8 1.00E+00 15 ARG H 16 CYS H 2.8 1.00E+00 16 CYS H 17 SER H 2.8 1.00E+00 17 SER H 18 ASN H 2.8 1.00E+00 18 ASN H 19 VAL H 2.8 1.00E+00 # NH(i)-NH(i+2) 7 ARG H 9 TRP H 5.0 1.00E+00 8 ASP H 10 LYS H 5.0 1.00E+00 9 TRP H 11 MET H 5.0 1.00E+00 10 LYS H 12 ALA H 5.0 1.00E+00 11 MET H 13 ILE H 5.0 1.00E+00 12 ALA H 14 LYS H 5.0 1.00E+00 13 ILE H 15 ARG H 5.0 1.00E+00 # NH(i)-NH(i+3) 7 ARG H 10 LYS H 5.0 1.00E+00 8 ASP H 11 MET H 5.0 1.00E+00 9 TRP H 12 ALA H 5.0 1.00E+00 10 LYS H 13 ILE H 5.0 1.00E+00 11 MET H 14 LYS H 5.0 1.00E+00 12 ALA H 15 ARG H 5.0 1.00E+00 # AH(i)-NH(i+4) 7 ARG HA 11 MET H 5.0 1.00E+00 8 ASP HA 12 ALA H 5.0 1.00E+00 9 TRP HA 13 ILE H 5.0 1.00E+00 10 LYS HA 14 LYS H 5.0 1.00E+00 11 MET HA 15 ARG H 5.0 1.00E+00 #AH(i)-BH(i+3) 7 ARG HA 10 LYS QB 5.8 1.00E+00 8 ASP HA 11 MET QB 5.8 1.00E+00 9 TRP HA 12 ALA QB 5.5 1.00E+00 10 LYS HA 13 ILE QB 5.8 1.00E+00 11 MET HA 14 LYS QB 5.8 1.00E+00 12 ALA HA 15 ARG QB 5.8 1.00E+00 13 ILE HA 16 CYS QB 5.8 1.00E+00 14 LYS HA 17 SER QB 5.8 1.00E+00 #===================================================== # LINKER - HELIX I-II (includes B-Sheet strand 1) #===================================================== 19 VAL HA 20 ALA H 2.7 1.00E+00 # b-strand 1 20 ALA HA 21 VAL H 2.7 1.00E+00 # b-strand 1 21 VAL H 22 GLY H 2.7 1.00E+00 # b-strand 1 28 LYS HA 29 LYS H 2.7 1.00E+00 # b-strand 2 29 LYS HA 30 PHE H 2.7 1.00E+00 # b-strand 2 30 PHE HA 31 GLY H 2.7 1.00E+00 #===================================================== # HELIX II: RESIDUES 32-46 #===================================================== # NH(i)-NH(i+1) 31 GLY HA2 32 GLU H 2.7 1.00E+00 31 GLY HA3 32 GLU H 2.7 1.00E+00 32 GLU H 33 GLY H 2.8 1.00E+00 33 GLY H 34 ASN H 2.8 1.00E+00 34 ASN H 35 PHE H 2.8 1.00E+00 35 PHE H 36 ARG H 2.8 1.00E+00 36 ARG H 37 TRP H 2.8 1.00E+00 37 TRP H 38 ALA H 2.8 1.00E+00 38 ALA H 39 ILE H 2.8 1.00E+00 39 ILE H 40 ARG H 2.8 1.00E+00 40 ARG H 41 MET H 2.8 1.00E+00 41 MET H 42 ALA H 2.8 1.00E+00 42 ALA H 43 ASN H 2.8 1.00E+00 43 ASN H 44 VAL H 2.8 1.00E+00 44 VAL H 45 SER H 2.8 1.00E+00 45 SER H 46 THR H 2.8 1.00E+00 46 THR H 47 GLY H 3.3 1.00E+00 47 GLY H 48 ARG H 3.3 1.00E+00 # NH(i)-NH(i+2) 32 GLU H 34 ASN H 5.0 1.00E+00 34 ASN H 36 ARG H 5.0 1.00E+00 35 PHE H 37 TRP H 5.0 1.00E+00 36 ARG H 38 ALA H 5.0 1.00E+00 37 TRP H 39 ILE H 5.0 1.00E+00 38 ALA H 40 ARG H 5.0 1.00E+00 39 ILE H 41 MET H 5.0 1.00E+00 40 ARG H 42 ALA H 5.0 1.00E+00 41 MET H 43 ASN H 5.0 1.00E+00 42 ALA H 44 VAL H 5.0 1.00E+00 43 ASN H 45 SER H 5.0 1.00E+00 44 VAL H 46 THR H 5.0 1.00E+00 # NH(i)-NH(i+3) 32 GLU H 35 PHE H 5.0 1.00E+00 34 ASN H 37 TRP H 5.0 1.00E+00 35 PHE H 38 ALA H 5.0 1.00E+00 36 ARG H 39 ILE H 5.0 1.00E+00 37 TRP H 40 ARG H 5.0 1.00E+00 38 ALA H 41 MET H 5.0 1.00E+00 39 ILE H 42 ALA H 5.0 1.00E+00 40 ARG H 43 ASN H 5.0 1.00E+00 41 MET H 44 VAL H 5.0 1.00E+00 42 ALA H 45 SER H 5.0 1.00E+00 43 ASN H 46 THR H 5.0 1.00E+00 # AH(i)-NH(i+4) 32 GLU HA 36 ARG H 5.0 1.00E+00 34 ASN HA 38 ALA H 5.0 1.00E+00 35 PHE HA 39 ILE H 5.0 1.00E+00 36 ARG HB 40 ARG H 5.0 1.00E+00 37 TRP HA 41 MET H 5.0 1.00E+00 38 ALA HA 42 ALA H 5.0 1.00E+00 39 ILE HA 43 ASN H 5.0 1.00E+00 40 ARG HA 44 VAL H 5.0 1.00E+00 41 MET HA 45 SER H 5.0 1.00E+00 42 ALA HA 46 THR H 5.0 1.00E+00 # HA(i)-HB(i+3) 32 GLU HA 35 PHE QB 5.8 1.00E+00 34 ASN HA 37 TRP QB 5.8 1.00E+00 35 PHE HA 38 ALA QB 5.5 1.00E+00 36 ARG HA 39 ILE QB 5.8 1.00E+00 37 TRP HA 40 ARG QB 5.8 1.00E+00 38 ALA HA 41 MET QB 5.8 1.00E+00 39 ILE HA 42 ALA QB 5.5 1.00E+00 40 ARG HA 43 ASN QB 5.8 1.00E+00 41 MET HA 44 VAL QB 5.0 1.00E+00 42 ALA HA 45 SER QB 5.8 1.00E+00 43 ASN HA 48 ARG QB 5.8 1.00E+00 #===================================================== # LINKER HELIX II-HELIX III (RESIDUES 49-55) #===================================================== 48 ARG HA 49 GLU H 2.7 1.00E+00 49 GLU HA 50 PRO HD2 2.7 1.00E+00 50 PRO QD 51 GLY H 4.1 1.00E+00 50 PRO QB 51 GLY H 4.1 1.00E+00 51 GLY H 52 ASP H 5.0 1.00E+00 52 ASP H 53 ILE H 5.0 1.00E+00 53 ILE HA 54 PRO HD2 5.0 1.00E+00 53 ILE HA 54 PRO HD3 5.0 1.00E+00 55 GLU H 56 THR H 5.0 1.00E+00 #===================================================== # HELIX III (RESIDUES 56-74) #===================================================== # NH(i)-NH(i+1) 56 THR H 60 LEU H 5.0 1.00E+00 # N-Cap 58 ASP H 59 GLN H 2.8 1.00E+00 59 GLN H 60 LEU H 2.8 1.00E+00 60 LEU H 61 ARG H 2.8 1.00E+00 61 ARG H 62 LEU H 2.8 1.00E+00 62 LEU H 63 VAL H 2.8 1.00E+00 63 VAL H 64 ILE H 2.8 1.00E+00 64 ILE H 65 CYS H 2.8 1.00E+00 65 CYS H 66 ASP H 2.8 1.00E+00 66 ASP H 67 LEU H 2.8 1.00E+00 67 LEU H 68 GLN H 2.8 1.00E+00 68 GLN H 69 GLU H 2.8 1.00E+00 69 GLU H 70 ARG H 2.8 1.00E+00 70 ARG H 71 ARG H 2.8 1.00E+00 71 ARG H 72 GLU H 2.8 1.00E+00 72 GLU H 73 LYS H 2.8 1.00E+00 73 LYS H 74 PHE H 2.8 1.00E+00 # NH(i)-NH(i+2) 56 THR H 58 ASP H 5.0 1.00E+00 58 ASP H 60 LEU H 5.0 1.00E+00 59 GLN H 61 ARG H 5.0 1.00E+00 60 LEU H 62 LEU H 5.0 1.00E+00 61 ARG H 63 VAL H 5.0 1.00E+00 62 LEU H 64 ILE H 5.0 1.00E+00 63 VAL H 65 CYS H 5.0 1.00E+00 64 ILE H 66 ASP H 5.0 1.00E+00 65 CYS H 67 LEU H 5.0 1.00E+00 66 ASP H 68 GLN H 5.0 1.00E+00 67 LEU H 69 GLU H 5.0 1.00E+00 68 GLN H 70 ARG H 5.0 1.00E+00 69 GLU H 71 ARG H 5.0 1.00E+00 70 ARG H 72 GLU H 5.0 1.00E+00 71 ARG H 73 LYS H 5.0 1.00E+00 72 GLU H 74 PHE H 5.0 1.00E+00 73 LYS H 75 GLY H 5.0 1.00E+00 # NH(i)-NH(i+3) 56 THR H 59 GLN H 5.0 1.00E+00 #57 LEU H 60 LEU H 5.0 1.00E+00 58 ASP H 61 ARG H 5.0 1.00E+00 59 GLN H 62 LEU H 5.0 1.00E+00 60 LEU H 63 VAL H 5.0 1.00E+00 61 ARG H 64 ILE H 5.0 1.00E+00 62 LEU H 65 CYS H 5.0 1.00E+00 63 VAL H 66 ASP H 5.0 1.00E+00 64 ILE H 67 LEU H 5.0 1.00E+00 65 CYS H 68 GLN H 5.0 1.00E+00 66 ASP H 69 GLU H 5.0 1.00E+00 67 LEU H 70 ARG H 5.0 1.00E+00 68 GLN H 71 ARG H 5.0 1.00E+00 69 GLU H 72 GLU H 5.0 1.00E+00 70 ARG H 73 LYS H 5.0 1.00E+00 # AH(i)-NH(i+4) 57 LEU HA 61 ARG H 5.0 1.00E+00 58 ASP HA 62 LEU H 5.0 1.00E+00 59 GLN HA 63 VAL H 5.0 1.00E+00 60 LEU HA 64 ILE H 5.0 1.00E+00 61 ARG HA 65 CYS H 5.0 1.00E+00 62 LEU HA 66 ASP H 5.0 1.00E+00 63 VAL HA 67 LEU H 5.0 1.00E+00 64 ILE HA 68 GLN H 5.0 1.00E+00 65 CYS HA 69 GLU H 5.0 1.00E+00 66 ASP HA 70 ARG H 5.0 1.00E+00 67 LEU HA 71 ARG H 5.0 1.00E+00 68 GLN HA 72 GLU H 5.5 1.00E+00 69 GLU HA 73 LYS H 5.0 1.00E+00 # HA(i)-HB(i+3) 57 LEU HA 60 LEU QB 5.8 1.00E+00 58 ASP HA 61 ARG QB 5.8 1.00E+00 59 GLN HA 62 LEU QB 5.8 1.00E+00 60 LEU HA 63 VAL HB 5.0 1.00E+00 61 ARG HA 64 ILE QB 5.8 1.00E+00 62 LEU HA 65 CYS QB 5.8 1.00E+00 63 VAL HA 66 ASP QB 5.8 1.00E+00 65 CYS HA 68 GLN QB 5.8 1.00E+00 66 ASP HA 69 GLU QB 5.8 1.00E+00 67 LEU HA 70 ARG QB 5.8 1.00E+00 68 GLN HA 71 ARG QB 5.8 1.00E+00 69 GLU HA 72 GLU QB 5.8 1.00E+00 70 ARG HA 73 LYS QB 5.8 1.00E+00 #===================================================== # HELIX IV (RESIDUES 77-96) #===================================================== # NH(i)-NH(i+1) 77 SER H 81 ASP H 5.0 1.00E+00 80 ILE H 81 ASP H 2.8 1.00E+00 81 ASP H 82 MET H 2.8 1.00E+00 82 MET H 83 ALA H 2.8 1.00E+00 83 ALA H 84 ILE H 2.8 1.00E+00 84 ILE H 85 VAL H 2.8 1.00E+00 85 VAL H 86 THR H 2.8 1.00E+00 86 THR H 87 LEU H 2.8 1.00E+00 87 LEU H 88 LYS H 2.8 1.00E+00 88 LYS H 89 VAL H 2.8 1.00E+00 89 VAL H 90 PHE H 2.8 1.00E+00 90 PHE H 91 ALA H 2.8 1.00E+00 91 ALA H 92 VAL H 2.8 1.00E+00 92 VAL H 93 ALA H 2.8 1.00E+00 93 ALA H 94 GLY H 2.8 1.00E+00 94 GLY H 95 LEU H 2.8 1.00E+00 95 LEU H 96 LEU H 2.8 1.00E+00 96 LEU H 97 ASN H 2.8 1.00E+00 # C-Cap 97 ASN H 98 MET H 2.8 1.00E+00 # C-Cap # NH(i)-NH(i+2) 79 GLU H 81 ASP H 5.0 1.00E+00 80 ILE H 82 MET H 5.0 1.00E+00 81 ASP H 83 ALA H 5.0 1.00E+00 82 MET H 84 ILE H 5.0 1.00E+00 83 ALA H 85 VAL H 5.0 1.00E+00 84 ILE H 86 THR H 5.0 1.00E+00 85 VAL H 87 LEU H 5.0 1.00E+00 86 THR H 88 LYS H 5.0 1.00E+00 87 LEU H 89 VAL H 5.0 1.00E+00 88 LYS H 90 PHE H 5.0 1.00E+00 89 VAL H 91 ALA H 5.0 1.00E+00 90 PHE H 92 VAL H 5.0 1.00E+00 91 ALA H 93 ALA H 5.0 1.00E+00 92 VAL H 94 GLY H 5.0 1.00E+00 93 ALA H 95 LEU H 5.0 1.00E+00 # NH(i)-NH(i+3) 80 ILE H 83 ALA H 5.0 1.00E+00 81 ASP H 84 ILE H 5.0 1.00E+00 82 MET H 85 VAL H 5.0 1.00E+00 83 ALA H 86 THR H 5.0 1.00E+00 84 ILE H 87 LEU H 5.0 1.00E+00 85 VAL H 88 LYS H 5.0 1.00E+00 86 THR H 89 VAL H 5.0 1.00E+00 87 LEU H 90 PHE H 5.0 1.00E+00 88 LYS H 91 ALA H 5.0 1.00E+00 89 VAL H 92 VAL H 5.0 1.00E+00 90 PHE H 93 ALA H 5.0 1.00E+00 91 ALA H 94 GLY H 5.0 1.00E+00 #AH(i)-NH(i+4) 77 SER HA 81 ASP H 5.0 1.00E+00 78 LYS HA 82 MET H 5.0 1.00E+00 79 GLU HA 83 ALA H 5.0 1.00E+00 80 ILE HA 84 ILE H 5.0 1.00E+00 81 ASP HA 85 VAL H 5.0 1.00E+00 82 MET HA 86 THR H 5.0 1.00E+00 83 ALA HA 87 LEU H 5.0 1.00E+00 84 ILE HA 88 LYS H 5.0 1.00E+00 85 VAL HA 89 VAL H 5.0 1.00E+00 86 THR HA 90 PHE H 5.0 1.00E+00 87 LEU HA 91 ALA H 5.0 1.00E+00 88 LYS HA 92 VAL H 5.0 1.00E+00 89 VAL HA 93 ALA H 5.0 1.00E+00 90 PHE HA 94 GLY H 5.0 1.00E+00 91 ALA HA 95 LEU H 5.0 1.00E+00 #HA(i)-HB(i+3) 77 SER HA 80 ILE QB 5.8 1.00E+00 78 LYS HA 81 ASP QB 5.8 1.00E+00 79 GLU HA 82 MET QB 5.8 1.00E+00 80 ILE HA 83 ALA QB 5.5 1.00E+00 81 ASP HA 84 ILE QB 5.8 1.00E+00 82 MET HA 85 VAL HB 5.0 1.00E+00 83 ALA HA 86 THR QB 5.8 1.00E+00 85 VAL HA 88 LYS QB 5.8 1.00E+00 86 THR HA 89 VAL HB 5.0 1.00E+00 87 LEU HA 90 PHE QB 5.8 1.00E+00 88 LYS HA 91 ALA QB 5.5 1.00E+00 89 VAL HA 92 VAL HB 5.0 1.00E+00 90 PHE HA 93 ALA QB 5.5 1.00E+00 #91 ALA HA 94 GLY #GLYCINE DOES NOT HAVE BETA PROTONS 92 VAL HA 95 LEU QB 5.8 1.00E+00 #===================================================== #LINKER HELIX IV-V (RESIDUES 98-101 -- includes b-strand 3) #===================================================== 99 THR HA 100 VAL H 2.7 1.00E+00 #===================================================== # HELIX V (RESIDUES 102-115) #===================================================== # NH(i)-NH(i+1) 102 THR H 106 ALA H 5.0 1.00E+00 # N-Cap 102 THR HA 103 ALA H 2.7 1.00E+00 # N-Cap 103 ALA H 104 ALA H 2.8 1.00E+00 104 ALA H 105 ALA H 2.8 1.00E+00 105 ALA H 106 ALA H 2.8 1.00E+00 106 ALA H 107 GLU H 2.8 1.00E+00 107 GLU H 108 ASN H 2.8 1.00E+00 108 ASN H 109 MET H 2.8 1.00E+00 109 MET H 110 TYR H 2.8 1.00E+00 110 TYR H 111 SER H 2.8 1.00E+00 111 SER H 112 GLN H 2.8 1.00E+00 112 GLN H 113 MET H 2.8 1.00E+00 113 MET H 114 GLY H 2.8 1.00E+00 114 GLY H 115 LEU H 2.8 1.00E+00 115 LEU H 116 ASP H 2.8 1.00E+00 #HN(i)-NH(i+2) 102 THR H 104 ALA H 5.0 1.00E+00 103 ALA H 105 ALA H 5.0 1.00E+00 104 ALA H 106 ALA H 5.0 1.00E+00 105 ALA H 107 GLU H 5.0 1.00E+00 106 ALA H 108 ASN H 5.0 1.00E+00 107 GLU H 109 MET H 5.0 1.00E+00 108 ASN H 110 TYR H 5.0 1.00E+00 109 MET H 111 SER H 5.0 1.00E+00 110 TYR H 112 GLN H 5.0 1.00E+00 111 SER H 113 MET H 5.0 1.00E+00 112 GLN H 114 GLY H 5.0 1.00E+00 113 MET H 115 LEU H 5.0 1.00E+00 114 GLY H 116 ASP H 5.0 1.00E+00 #HN(i)-NH(i+3) 102 THR H 105 ALA H 5.0 1.00E+00 103 ALA H 106 ALA H 5.0 1.00E+00 104 ALA H 107 GLU H 5.0 1.00E+00 105 ALA H 108 ASN H 5.0 1.00E+00 106 ALA H 109 MET H 5.0 1.00E+00 107 GLU H 110 TYR H 5.0 1.00E+00 108 ASN H 111 SER H 5.0 1.00E+00 109 MET H 112 GLN H 5.0 1.00E+00 110 TYR H 113 MET H 5.0 1.00E+00 111 SER H 114 GLY H 5.0 1.00E+00 112 GLN H 115 LEU H 5.0 1.00E+00 113 MET H 116 ASP H 5.0 1.00E+00 #AH(i)-NH(i+4) 103 ALA HA 107 GLU H 5.0 1.00E+00 104 ALA HA 108 ASN H 5.0 1.00E+00 #104 ALA QB 108 ASN H 5.0 1.00E+00 105 ALA HA 109 MET H 5.0 1.00E+00 106 ALA HA 110 TYR H 5.0 1.00E+00 107 GLU HA 111 SER H 5.0 1.00E+00 108 ASN HA 112 GLN H 5.0 1.00E+00 109 MET HA 113 MET H 5.0 1.00E+00 #HA(i)-QB(i+3) 103 ALA HA 106 ALA QB 5.5 1.00E+00 104 ALA HA 107 GLU QB 5.8 1.00E+00 105 ALA HA 108 ASN QB 5.8 1.00E+00 106 ALA HA 109 MET QB 5.8 1.00E+00 107 GLU HA 110 TYR QB 5.8 1.00E+00 108 ASN HA 111 SER QB 5.8 1.00E+00 109 MET HA 112 GLN QB 5.8 1.00E+00 110 TYR HA 113 MET QB 5.8 1.00E+00 ################################################### ### LONG RANGE NOES ################################################## #===================================================== # HELIX I #===================================================== 9 TRP HD1 10 LYS H 3.3 1.00E+00 9 TRP HH2 35 PHE QE 5.0 1.00E+00 9 TRP HZ3 39 ILE QD1 5.5 1.00E+00 9 TRP HZ3 53 ILE QG2 5.5 1.00E+00 9 TRP HZ3 90 PHE HZ 5.0 1.00E+00 9 TRP HE3 90 PHE HZ 5.0 1.00E+00 9 TRP HZ3 90 PHE QE 5.0 1.00E+00 12 ALA QB 90 PHE QD 5.5 1.00E+00 12 ALA QB 90 PHE QE 5.5 1.00E+00 12 ALA QB 90 PHE HZ 5.5 1.00E+00 12 ALA HA 94 GLY QA 5.0 1.00E+00 12 ALA QB 95 LEU QQD 7.0 1.00E+00 13 ILE QG2 32 GLU HA 3.3 1.00E+00 13 ILE QD1 32 GLU HA 3.3 1.00E+00 13 ILE QD1 90 PHE QE 6.5 1.00E+00 15 ARG QD 97 ASN HA 5.0 1.00E+00 16 CYS HA 89 VAL QQG 6.5 1.00E+00 16 CYS HA 93 ALA QB 5.5 1.00E+00 #===================================================== # LINKER HELIX I-II #===================================================== # CHANGED HEADER FROM HI-H2 18 ASN HA 29 LYS QG 5.8 1.00E+00 18 ASN HA 29 LYS QD 5.8 1.00E+00 19 VAL QQG 30 PHE QD 8.8 1.00E+00 19 VAL QQG 89 VAL QQG 8.0 1.00E+00 19 VAL QQG 93 ALA QB 7.0 1.00E+00 19 VAL QQG 100 VAL QQG 8.0 1.00E+00 19 VAL HA 101 SER HA 5.0 1.00E+00 19 VAL QQG 102 THR CA 6.5 1.00E+00 19 VAL QQG 103 ALA CB 6.0 1.00E+00 20 ALA HA 29 LYS HA 2.7 1.00E+00 20 ALA H 102 THR HA 2.7 1.00E+00 20 ALA QB 102 THR HA 3.8 1.00E+00 20 ALA QB 102 THR QG2 3.8 1.00E+00 21 VAL H 21 VAL QQG 3.2 1.00E+00 21 VAL H 29 LYS HA 3.2 1.00E+00 21 VAL HA 30 PHE QR 5.8 1.00E+00 21 VAL QQG 30 PHE QR 6.1 1.00E+00 21 VAL QQG 103 ALA QB 4.3 1.00E+00 23 VAL HA 102 THR QG2 3.2 1.00E+00 30 PHE QD 35 PHE QD 6.9 1.00E+00 30 PHE QD 86 THR QG2 6.1 1.00E+00 30 PHE QE 103 ALA QB 5.6 1.00E+00 30 PHE QD 103 ALA QB 7.8 1.00E+00 #===================================================== # HELIX II #===================================================== 34 ASN QB 86 THR QG2 5.0 1.00E+00 35 PHE H 86 THR QG2 5.5 1.00E+00 35 PHE HA 86 THR QG2 3.8 1.00E+00 35 PHE QD 90 PHE QD 5.0 1.00E+00 35 PHE QD 90 PHE QE 5.0 1.00E+00 35 PHE HZ 90 PHE QD 5.0 1.00E+00 37 TRP HE3 38 ALA H 3.3 1.00E+00 37 TRP HZ3 38 ALA H 5.0 1.00E+00 37 TRP HZ3 83 ALA H 3.3 1.00E+00 37 TRP HH2 83 ALA H 3.3 1.00E+00 37 TRP HZ3 83 ALA HA 3.3 1.00E+00 37 TRP HH2 79 GLU HA 5.0 1.00E+00 37 TRP HH2 82 MET QB 5.0 1.00E+00 38 ALA HA 83 ALA HA 5.0 1.00E+00 38 ALA HA 83 ALA QB 5.5 1.00E+00 38 ALA QB 83 ALA HA 5.5 1.00E+00 38 ALA QB 86 THR HA 5.5 1.00E+00 38 ALA QB 86 THR QB 5.5 1.00E+00 38 ALA QB 86 THR QG2 4.3 1.00E+00 38 ALA QB 87 LEU H 5.5 1.00E+00 39 ILE H 86 THR HG2 5.0 1.00E+00 39 ILE H 87 LEU QQD 5.5 1.00E+00 39 ILE HA 87 LEU QQD 5.5 1.00E+00 43 ASN HD2 52 ASP H 3.3 1.00E+00 46 THR QG2 63 VAL QQG 7.0 1.00E+00 46 THR HA 66 ASP QB 5.0 1.00E+00 46 THR QG2 66 ASP QB 6.3 1.00E+00 46 THR QG2 67 LEU HA 3.8 1.00E+00 #===================================================== #LINKER HELIX II-III #===================================================== 48 ARG QD 63 VAL QQG 6.3 1.00E+00 54 PRO QB 60 LEU H 5.8 1.00E+00 55 GLU H 59 GLN QB 5.8 1.00E+00 55 GLU QB 59 GLN NE2 5.8 1.00E+00 #===================================================== # HELIX III #===================================================== 56 THR H 59 GLN QB 5.0 1.00E+00 56 THR QB 60 LEU H 5.8 1.00E+00 56 THR QB 59 GLN NE2 5.8 1.00E+00 56 THR QG2 59 GLN NE2 5.5 1.00E+00 57 LEU QQD 91 ALA HA 6.5 1.00E+00 57 LEU QQD 91 ALA QB 7.0 1.00E+00 57 LEU QQD 115 LEU QD2 8.0 1.00E+00 60 LEU QQD 90 PHE QD 6.5 1.00E+00 60 LEU QQD 91 ALA H 6.5 1.00E+00 60 LEU QQD 91 ALA HA 6.5 1.00E+00 60 LEU QQD 91 ALA QB 7.0 1.00E+00 60 LEU H 91 ALA QB 5.5 1.00E+00 63 VAL HA 66 ASP H 5.0 1.00E+00 63 VAL QB 87 LEU QD1 5.5 1.00E+00 64 ILE H 87 LEU QD1 5.5 1.00E+00 64 ILE HA 87 LEU QD1 5.5 1.00E+00 64 ILE QD1 88 LYS HA 5.5 1.00E+00 64 ILE QD1 88 LYS H 5.5 1.00E+00 65 CYS HA 68 GLN H 5.0 1.00E+00 68 GLN HA 84 ILE QD1 3.8 1.00E+00 70 ARG HA 74 PHE H 5.0 1.00E+00 70 ARG QB 80 ILE QD1 6.3 1.00E+00 71 ARG H 80 ILE QD1 5.5 1.00E+00 71 ARG HA 80 ILE QD1 5.5 1.00E+00 71 ARG HA 80 ILE QG2 5.5 1.00E+00 71 ARG QB 80 ILE QG2 5.8 1.00E+00 71 ARG QB 80 ILE QD1 6.3 1.00E+00 71 ARG QG 80 ILE QD1 6.3 1.00E+00 #===================================================== # HELIX IV #===================================================== 79 GLU HA 82 MET H 5.0 1.00E+00 80 ILE HA 83 ALA H 5.0 1.00E+00 80 ILE HA 83 ALA QB 5.5 1.00E+00 85 VAL QB 103 ALA QB 5.5 1.00E+00 85 VAL QQG 103 ALA QB 5.5 1.00E+00 85 VAL QQG 104 ALA H 5.5 1.00E+00 89 VAL QQG 103 ALA H 6.5 1.00E+00 89 VAL QQG 103 ALA HA 4.8 1.00E+00 89 VAL QQG 103 ALA QB 4.8 1.00E+00 89 VAL HA 106 ALA QB 3.8 1.00E+00 89 VAL H 106 ALA QB 3.8 1.00E+00 90 PHE QE 95 LEU QQD 6.5 1.00E+00 90 PHE QD 95 LEU QQD 7.1 1.00E+00 91 ALA QB 110 TYR QD 5.5 1.00E+00 91 ALA QB 110 TYR QE 5.5 1.00E+00 92 VAL QQG 106 ALA QB 5.3 1.00E+00 92 VAL QQG 106 ALA HA 4.8 1.00E+00 92 VAL QQG 110 TYR H 6.5 1.00E+00 92 VAL QQG 110 TYR QD 7.5 1.00E+00 #===================================================== # LINKER HELIX IV-V #===================================================== 96 LEU QQD 113 MET QE 6.0 1.00E+00 100 VAL HA 105 ALA QB 5.5 1.00E+00 100 VAL QQG 106 ALA HA 3.8 1.00E+00 100 VAL QQG 106 ALA QB 4.3 1.00E+00 100 VAL QQG 106 ALA H 5.5 1.00E+00 101 SER QB 102 THR QG2 4.0 1.00E+00 #===================================================== # HELIX V #===================================================== 110 TYR QD 115 LEU QD1 5.6 1.00E+00 110 TYR QE 115 LEU QD1 5.6 1.00E+00 110 TYR HA 115 LEU QQD 3.8 1.00E+00 110 TYR QD 116 ASP H 7.3 1.00E+00 #===================================================== # MYRN NOEs #===================================================== 1 MYRN Q14 35 PHE HZ 5.5 1.00E+00 1 MYRN Q14 39 ILE QD1 5.5 1.00E+00 1 MYRN Q14 60 LEU QQD 5.5 1.00E+00 1 MYRN Q14 87 LEU QQD 5.5 1.00E+00 1 MYRN Q14 90 PHE QD 5.5 1.00E+00 1 MYRN Q14 90 PHE QE 5.5 1.00E+00 1 MYRN Q7 9 TRP HE3 4.1 1.00E+00 1 MYRN Q7 53 ILE QD1 6.3 1.00E+00 1 MYRN Q7 9 TRP HZ2 4.1 1.00E+00 1 MYRN Q7 55 GLU QG 5.0 1.00E+00
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