NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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9572 |
1oca   |
cing | recoord | 1-original | 2 | DYANA/DIANA | coupling constant |
# coupling constants for human cyclophilin A (DIANA format) # --------------------------------------------------------- # derived from HNHB: 7 PHE N HB2 -4.0 2.0 7 PHE N HB3 -1.0 2.0 8 PHE N HB2 -1.0 2.0 8 PHE N HB3 -4.0 2.0 9 ASP- N HB2 -4.0 2.0 9 ASP- N HB3 -1.0 2.0 13 ASP- N HB2 -4.0 2.0 13 ASP- N HB3 -1.0 2.0 17 LEU N HB3 -1.0 2.0 # cco only for weaker proton 22 PHE N HB2 -1.0 2.0 22 PHE N HB3 -4.0 2.0 24 LEU N HB2 -1.0 2.0 24 LEU N HB3 -4.0 2.0 25 PHE N HB2 -1.0 2.0 25 PHE N HB3 -4.0 2.0 27 ASP- N HB2 -1.0 2.0 27 ASP- N HB3 -4.0 2.0 31 LYS+ N HB2 -1.0 2.0 # cco only for weaker proton 39 LEU N HB2 -1.0 2.0 39 LEU N HB3 -4.0 2.0 40 SER N HB2 -1.0 2.0 40 SER N HB3 -4.0 2.0 43 GLU- N HB2 -1.0 2.0 43 GLU- N HB3 -4.0 2.0 44 LYS+ N HB2 -4.0 2.0 44 LYS+ N HB3 -1.0 2.0 46 PHE N HB2 -1.0 2.0 46 PHE N HB3 -4.0 2.0 48 TYR N HB3 -4.0 2.0 48 TYR N HB2 -1.0 2.0 49 LYS+ N HB3 -1.0 2.0 # cco only for weaker proton 51 SER N HB2 -4.0 2.0 51 SER N HB3 -1.0 2.0 53 PHE N HB2 -1.0 2.0 53 PHE N HB3 -4.0 2.0 54 HIS N HB2 -4.0 2.0 54 HIS N HB3 -1.0 2.0 61 MET N HB2 -4.0 2.0 61 MET N HB3 -1.0 2.0 62 CYS N HB2 -1.0 2.0 62 CYS N HB3 -4.0 2.0 67 PHE N HB3 -1.0 2.0 # cco only for weaker proton 69 ARG+ N HB2 -1.0 2.0 69 ARG+ N HB3 -4.0 2.0 76 LYS+ N HB2 -4.0 2.0 76 LYS+ N HB3 -1.0 2.0 79 TYR N HB2 -1.0 2.0 79 TYR N HB3 -4.0 2.0 84 GLU- N HB2 -1.0 2.0 84 GLU- N HB3 -4.0 2.0 85 ASP- N HB2 -1.0 2.0 85 ASP- N HB3 -4.0 2.0 87 ASN N HB2 -4.0 2.0 87 ASN N HB3 -1.0 2.0 88 PHE N HB2 -4.0 2.0 88 PHE N HB3 -1.0 2.0 90 LEU N HB2 -1.0 2.0 90 LEU N HB3 -4.0 2.0 91 LYS+ N HB2 -1.0 2.0 91 LYS+ N HB3 -4.0 2.0 92 HIS N HB2 -1.0 2.0 92 HIS N HB3 -4.0 2.0 100 MET N HB2 -4.0 2.0 100 MET N HB3 -1.0 2.0 102 ASN N HB2 -4.0 2.0 102 ASN N HB3 -1.0 2.0 106 ASN N HB2 -1.0 2.0 106 ASN N HB3 -4.0 2.0 108 ASN N HB2 -4.0 2.0 108 ASN N HB3 -1.0 2.0 110 SER N HB3 -1.0 2.0 # cco only for weaker proton 111 GLN N HB2 -4.0 2.0 111 GLN N HB3 -1.0 2.0 115 CYS N HB2 -1.0 2.0 115 CYS N HB3 -4.0 2.0 122 LEU N HB2 -1.0 2.0 122 LEU N HB3 -4.0 2.0 123 ASP- N HB2 -1.0 2.0 123 ASP- N HB3 -4.0 2.0 125 LYS+ N HB2 -4.0 2.0 125 LYS+ N HB3 -1.0 2.0 126 HIS N HB2 -1.0 2.0 126 HIS N HB3 -4.0 2.0 129 PHE N HB3 -1.0 2.0 # cco only for weaker proton 140 GLU- N HB2 -1.0 2.0 140 GLU- N HB3 -4.0 2.0 145 PHE N HB2 -1.0 2.0 145 PHE N HB3 -4.0 2.0 149 ASN N HB2 -4.0 2.0 149 ASN N HB3 -1.0 2.0 153 SER N HB2 -4.0 2.0 153 SER N HB3 -1.0 2.0 154 LYS+ N HB2 -4.0 2.0 154 LYS+ N HB3 -1.0 2.0 160 ASP- N HB2 -1.0 2.0 # cco only for weaker proton 161 CYS N HB2 -4.0 2.0 161 CYS N HB3 -1.0 2.0 163 GLN N HB3 -1.0 2.0 # cco only for weaker proton # derived from [15N,1H]-HSQC: 3 ASN HN HA 4.6 2.0 5 THR HN HA 9.2 2.0 6 VAL HN HA 8.4 2.0 7 PHE HN HA 8.5 2.0 8 PHE HN HA 8.0 2.0 9 ASP- HN HA 8.5 2.0 10 ILE HN HA 8.2 2.0 11 ALA HN HA 8.4 2.0 12 VAL HN HA 8.8 2.0 13 ASP- HN HA 6.5 2.0 15 GLU- HN HA 7.7 2.0 17 LEU HN HA 9.0 2.0 19 ARG+ HN HA 7.5 2.0 20 VAL HN HA 8.5 2.0 21 SER HN HA 8.6 2.0 22 PHE HN HA 9.1 2.0 23 GLU- HN HA 8.0 2.0 24 LEU HN HA 8.6 2.0 25 PHE HN HA 4.5 2.0 26 ALA HN HA 3.7 2.0 27 ASP- HN HA 4.9 2.0 28 LYS+ HN HA 9.6 2.0 29 VAL HN HA 8.4 2.0 31 LYS+ HN HA 6.5 2.0 32 THR HN HA 4.0 4.0 33 ALA HN HA 4.7 2.0 34 GLU- HN HA 4.5 2.0 35 ASN HN HA 5.3 2.0 36 PHE HN HA 2.0 2.0 37 ARG+ HN HA 3.5 2.0 38 ALA HN HA 4.7 2.0 39 LEU HN HA 5.2 2.0 40 SER HN HA 6.0 2.0 41 THR HN HA 6.8 2.0 43 GLU- HN HA 3.0 2.0 # flat minimum 44 LYS+ HN HA 7.8 2.0 46 PHE HN HA 6.0 2.0 48 TYR HN HA 4.8 2.0 49 LYS+ HN HA 2.0 3.0 # flat minimum 51 SER HN HA 7.4 2.0 53 PHE HN HA 8.4 2.0 54 HIS HN HA 8.1 2.0 55 ARG+ HN HA 8.0 2.0 56 ILE HN HA 8.0 2.0 57 ILE HN HA 8.6 2.0 60 PHE HN HA 9.4 2.0 61 MET HN HA 4.2 2.0 62 CYS HN HA 8.5 2.0 63 GLN HN HA 8.4 2.0 66 ASP- HN HA 10.0 2.0 69 ARG+ HN HA 9.7 2.0 73 THR HN HA 9.3 2.0 76 LYS+ HN HA 5.0 2.0 # flat minimum 77 SER HN HA 7.1 2.0 78 ILE HN HA 5.5 2.0 79 TYR HN HA 8.2 2.0 82 LYS+ HN HA 7.3 2.0 83 PHE HN HA 7.7 2.0 84 GLU- HN HA 2.9 3.0 # flat minimum 85 ASP- HN HA 4.9 2.0 87 ASN HN HA 4.0 2.0 88 PHE HN HA 8.7 2.0 89 ILE HN HA 3.0 3.0 # flat minimum 90 LEU HN HA 7.1 2.0 91 LYS+ HN HA 8.6 2.0 92 HIS HN HA 8.4 2.0 93 THR HN HA 6.2 2.0 97 ILE HN HA 4.3 2.0 98 LEU HN HA 8.4 2.0 99 SER HN HA 8.4 2.0 100 MET HN HA 6.9 2.0 101 ALA HN HA 7.4 2.0 # flat minimum 102 ASN HN HA 5.2 2.0 106 ASN HN HA 5.5 2.0 107 THR HN HA 8.9 2.0 108 ASN HN HA 5.2 2.0 110 SER HN HA 9.5 2.0 111 GLN HN HA 4.5 2.0 # flat minimum 113 PHE HN HA 7.2 2.0 114 ILE HN HA 10.0 2.0 115 CYS HN HA 4.8 2.0 116 THR HN HA 9.1 2.0 118 LYS+ HN HA 5.4 2.0 119 THR HN HA 9.1 2.0 120 GLU- HN HA 4.0 2.0 # flat minimum 121 TRP HN HA 5.7 2.0 122 LEU HN HA 7.8 2.0 123 ASP- HN HA 5.1 2.0 125 LYS+ HN HA 11.0 2.0 126 HIS HN HA 8.5 2.0 128 VAL HN HA 5.0 3.0 # flat minimum 131 LYS+ HN HA 7.2 2.0 132 VAL HN HA 2.0 3.0 # flat minimum 134 GLU- HN HA 7.8 2.0 136 MET HN HA 4.0 2.0 137 ASN HN HA 4.0 2.0 138 ILE HN HA 6.7 2.0 139 VAL HN HA 4.8 2.0 140 GLU- HN HA 4.0 2.0 141 ALA HN HA 4.7 2.0 142 MET HN HA 4.1 2.0 143 GLU- HN HA 3.0 2.0 144 ARG+ HN HA 4.5 2.0 145 PHE HN HA 8.0 2.0 147 SER HN HA 6.0 2.0 149 ASN HN HA 8.2 2.0 151 LYS+ HN HA 4.7 2.0 152 THR HN HA 7.6 2.0 153 SER HN HA 6.3 2.0 154 LYS+ HN HA 7.5 2.0 155 LYS+ HN HA 6.2 2.0 156 ILE HN HA 8.5 2.0 157 THR HN HA 8.2 2.0 158 ILE HN HA 8.4 2.0 159 ALA HN HA 5.4 2.0 160 ASP- HN HA 5.5 2.0 161 CYS HN HA 4.7 2.0 163 GLN HN HA 7.5 2.0 # flat minimum 164 LEU HN HA 9.0 2.0 # 165 GLU- HN HA 7.0 2.0 # last residue, not used
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