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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586269 |
2mlj   |
19823 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# DYANA Upper Limit File for molecule named: cnd512-ssa.upl # based on NOESY 150 ms in H2O/D2O (9:1) at 298 K # Atom names according to the convention of cyana.lib # Upper limit distances produced by calibrating # Germinal protons with a distance of 1.78 Angstrom # After revision on the basis of stereo specific assignment # Manual Input for proper geometry # of side-chain/backbone peptide bond 1 SER N 9 GLU CD 1.33 1 SER N 9 GLU OE1 2.26 1 SER N 9 GLU CG 2.41 1 SER H 9 GLU CD 2.06 1 SER CA 9 GLU CD 2.42 1 SER H 1 GLY CA 2.09 1 SER CA 9 GLU OE1 2.78 1 SER H 9 GLU OE1 3.17 # END Manual Input 1 SER H 1 SER HA 2.68 #peak 42 1 SER H 1 SER HB2 2.96 #peak 44 1 SER H 1 SER HB3 2.86 #peak 43 1 SER H 2 ILE H 2.68 #peak 212 1 SER H 3 GLY H 2.86 #peak 215 1 SER H 9 GLU HB2 3.24 #peak 116 1 SER H 9 GLU QG 3.34 #peak 115 1 SER H 17 TRP HA 2.68 #peak 217 1 SER HA 1 SER HB3 2.40 #peak 191 1 SER HA 2 ILE H 3.17 #peak 227 1 SER HB2 17 TRP HZ3 2.65 #peak 111 1 SER HB3 2 ILE H 2.55 #peak 205 1 SER HB3 2 ILE QD1 4.01 #peak 147 2 ILE H 2 ILE HA 2.71 #peak 8 2 ILE H 2 ILE QG2 3.45 #peak 142 2 ILE H 2 ILE HG12 2.40 #peak 143 2 ILE H 2 ILE HG13 3.02 #peak 61 2 ILE H 3 GLY H 2.40 #peak 225 2 ILE H 18 PRO HD3 3.48 #peak 228 2 ILE HA 2 ILE HB 2.40 #peak 161 2 ILE HA 2 ILE QD1 3.42 #peak 137 2 ILE HA 3 GLY H 2.93 #peak 81 2 ILE HB 2 ILE QG2 3.42 #peak 9 2 ILE HG12 2 ILE HG13 2.40 #peak 148 2 ILE QD1 2 ILE HG12 3.42 #peak 11 2 ILE QD1 2 ILE HG13 3.42 #peak 10 2 ILE QD1 14 GLN QG 4.30 #peak 153 3 GLY H 3 GLY HA2 2.40 #peak 170 3 GLY H 3 GLY HA3 2.52 #peak 22 3 GLY HA2 3 GLY HA3 2.40 #peak 189 3 GLY HA2 4 ASP H 2.49 #peak 66 3 GLY HA2 16 TYR HB2 2.96 #peak 185 3 GLY HA3 4 ASP H 2.40 #peak 65 4 ASP H 4 ASP HA 2.68 #peak 12 4 ASP H 4 ASP QB 3.78 #peak 222 4 ASP H 5 SER H 2.40 #peak 213 4 ASP HA 4 ASP QB 3.28 #peak 124 4 ASP HA 5 SER H 2.99 #peak 106 4 ASP HA 16 TYR QD 4.65 #peak 117 5 SER H 5 SER HA 2.68 #peak 177 5 SER H 5 SER QB 4.09 #peak 178 5 SER H 16 TYR HB2 2.93 #peak 108 5 SER H 16 TYR HB3 3.11 #peak 107 5 SER HA 5 SER QB 3.28 #peak 183 5 SER HA 6 GLY H 2.40 #peak 171 5 SER HA 16 TYR QD 5.83 #peak 182 5 SER QB 6 GLY H 3.56 #peak 173 6 GLY H 6 GLY HA2 2.40 #peak 172 6 GLY H 6 GLY HA3 2.68 #peak 25 6 GLY H 16 TYR QD 6.57 #peak 86 6 GLY HA3 6 GLY HA2 2.40 #peak 126 6 GLY HA2 7 LEU H 2.90 #peak 53 6 GLY HA3 7 LEU H 2.40 #peak 52 7 LEU H 7 LEU HA 2.71 #peak 2 7 LEU H 7 LEU QB 3.37 #peak 3 7 LEU H 16 TYR QD 6.36 #peak 226 7 LEU HA 7 LEU QB 3.53 #peak 146 7 LEU HA 8 ARG H 2.40 #peak 75 7 LEU QB 8 ARG H 4.40 #peak 219 7 LEU QB 17 TRP HD1 3.44 #peak 113 8 ARG H 8 ARG HA 2.68 #peak 18 8 ARG H 8 ARG HB2 2.49 #peak 77 8 ARG H 8 ARG HB3 2.86 #peak 76 8 ARG H 8 ARG HG2 3.05 #peak 79 8 ARG H 8 ARG HG3 2.93 #peak 20 8 ARG H 16 TYR QD 6.30 #peak 74 8 ARG HA 8 ARG HB3 2.46 #peak 186 8 ARG HA 9 GLU H 2.40 #peak 174 8 ARG HA 16 TYR HA 2.40 #peak 123 8 ARG HA 16 TYR QD 5.33 #peak 181 8 ARG HB2 8 ARG HB3 2.40 #peak 150 8 ARG HB3 8 ARG HG2 2.74 #peak 152 8 ARG HB3 9 GLU H 2.99 #peak 96 8 ARG HB3 10 SER H 2.77 #peak 103 8 ARG HG2 8 ARG HG3 2.40 #peak 149 8 ARG HD2 8 ARG HE 2.65 #peak 21 9 GLU H 9 GLU HA 2.55 #peak 29 9 GLU H 9 GLU HB2 2.40 #peak 31 9 GLU H 9 GLU HB3 2.99 #peak 30 9 GLU H 9 GLU QG 3.41 #peak 32 9 GLU H 16 TYR HA 2.40 #peak 94 9 GLU HA 9 GLU HB3 2.40 #peak 187 9 GLU HA 10 SER H 3.08 #peak 102 9 GLU HA 17 TRP HD1 3.70 #peak 112 9 GLU HA 17 TRP HE1 2.46 #peak 51 9 GLU HB2 10 SER H 2.74 #peak 105 9 GLU HB3 10 SER H 2.96 #peak 104 10 SER H 10 SER HA 2.59 #peak 33 10 SER H 10 SER HB3 2.83 #peak 34 10 SER H 13 SER HB3 3.33 #peak 101 10 SER HA 11 MET H 2.40 #peak 71 10 SER HB3 11 MET H 2.49 #peak 169 10 SER HB3 14 GLN H 2.77 #peak 223 10 SER HB2 11 MET H 2.52 #peak 204 10 SER HB2 16 TYR H 2.40 #peak 203 11 MET H 11 MET HA 2.74 #peak 16 11 MET H 11 MET QB 3.47 #peak 73 11 MET H 11 MET HG2 3.83 #peak 221 11 MET H 12 SER H 2.43 #peak 224 11 MET HA 11 MET QB 3.59 #peak 49 11 MET HA 12 SER H 3.08 #peak 83 11 MET HG3 11 MET HG2 2.40 #peak 157 12 SER H 12 SER HA 2.68 #peak 24 12 SER H 12 SER HB2 2.93 #peak 85 12 SER H 12 SER HB3 3.02 #peak 84 12 SER H 13 SER H 2.40 #peak 216 13 SER H 13 SER HA 2.49 #peak 35 13 SER H 13 SER HB3 2.77 #peak 37 13 SER H 13 SER HB2 2.77 #peak 36 13 SER HA 14 GLN H 2.40 #peak 68 13 SER HB2 15 THR H 2.96 #peak 110 14 GLN H 14 GLN HA 2.52 #peak 14 14 GLN H 14 GLN QB 3.78 #peak 69 14 GLN H 14 GLN QG 4.55 #peak 220 14 GLN H 15 THR H 2.40 #peak 214 14 GLN HA 15 THR H 2.62 #peak 109 14 GLN QB 14 GLN QG 4.16 #peak 154 14 GLN HE22 14 GLN HE21 2.40 #peak 208 15 THR H 15 THR HA 2.59 #peak 40 15 THR H 15 THR QG2 3.76 #peak 139 15 THR HA 15 THR QG2 3.51 #peak 136 15 THR HA 16 TYR H 2.40 #peak 90 15 THR HB 15 THR QG2 3.48 #peak 135 15 THR HB 16 TYR H 2.40 #peak 91 15 THR QG2 16 TYR H 4.41 #peak 93 16 TYR H 16 TYR HA 2.80 #peak 27 16 TYR H 16 TYR HB2 2.40 #peak 92 16 TYR H 16 TYR QD 5.18 #peak 89 16 TYR HA 16 TYR HB2 2.71 #peak 162 16 TYR HA 16 TYR HB3 2.40 #peak 125 16 TYR HA 17 TRP H 2.40 #peak 56 16 TYR HB2 16 TYR HB3 2.40 #peak 155 16 TYR QD 16 TYR HB2 4.84 #peak 145 16 TYR HB3 16 TYR QD 4.53 #peak 118 16 TYR HB3 17 TRP H 2.40 #peak 165 17 TRP H 17 TRP HA 2.68 #peak 4 17 TRP H 17 TRP HB2 2.40 #peak 167 17 TRP H 17 TRP HB3 3.08 #peak 229 17 TRP H 17 TRP HD1 2.83 #peak 211 17 TRP HA 17 TRP HE3 2.40 #peak 218 17 TRP HA 18 PRO HD3 2.40 #peak 192 17 TRP HA 18 PRO HD2 2.40 #peak 193 17 TRP HB2 17 TRP HB3 2.40 #peak 184 17 TRP HB2 17 TRP HD1 2.40 #peak 46 17 TRP HB3 17 TRP HD1 3.70 #peak 45 17 TRP HB3 17 TRP HE3 2.93 #peak 100 17 TRP HB3 18 PRO HD2 2.40 #peak 188 17 TRP HE1 17 TRP HD1 2.40 #peak 210 17 TRP HZ3 17 TRP HE3 2.40 #peak 97 17 TRP HH2 17 TRP HE3 5.50 #peak 7 17 TRP HE3 18 PRO HD3 2.65 #peak 98 17 TRP HE3 18 PRO HD2 2.40 #peak 200 17 TRP HE1 17 TRP HZ2 2.68 #peak 209 17 TRP HZ3 17 TRP HZ2 5.50 #peak 6 18 PRO HA 18 PRO HB3 2.49 #peak 47 18 PRO HA 18 PRO HB2 2.55 #peak 48 18 PRO HD3 18 PRO HB3 2.46 #peak 160 18 PRO HD3 18 PRO HG3 2.40 #peak 159 18 PRO HD2 18 PRO HG3 2.68 #peak 158
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