NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
21217 | 2hbp | cing | 1-original | 4 | XPLOR/CNS | chemical shift |
loop_ _Atom_chem_shift.ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Details 1 3 LYS C 13C . 176.579 0.000 . . . . 2 3 LYS CA 13C . 56.550 0.000 . . . . 3 3 LYS CB 13C . 32.989 0.121 . . . . 4 3 LYS CD 13C . 29.556 0.080 . . . . 5 3 LYS CE 13C . 42.351 0.042 . . . . 6 3 LYS CG 13C . 25.316 0.000 . . . . 7 3 LYS HA 1H . 4.399 0.003 . . . . 8 3 LYS HB3 1H . 1.863 0.007 . . . . 9 3 LYS HD2 1H . 1.727 0.002 . . . . 10 3 LYS HE2 1H . 2.998 0.008 . . . . 11 3 LYS HG3 1H . 1.490 0.006 . . . . 12 4 LYS C 13C . 176.462 0.000 . . . . 13 4 LYS CA 13C . 56.470 0.081 . . . . 14 4 LYS CB 13C . 33.205 0.046 . . . . 15 4 LYS CD 13C . 29.171 0.016 . . . . 16 4 LYS CE 13C . 42.529 0.000 . . . . 17 4 LYS CG 13C . 25.343 0.044 . . . . 18 4 LYS H 1H . 8.413 0.005 . . . . 19 4 LYS HA 1H . 4.464 0.005 . . . . 20 4 LYS HB2 1H . 1.974 0.007 . . . . 21 4 LYS HB3 1H . 1.764 0.007 . . . . 22 4 LYS HD2 1H . 1.599 0.001 . . . . 23 4 LYS HE2 1H . 2.954 0.000 . . . . 24 4 LYS HG2 1H . 1.487 0.006 . . . . 25 4 LYS N 15N . 121.210 0.017 . . . . 26 5 SER C 13C . 172.894 0.000 . . . . 27 5 SER CA 13C . 58.455 0.066 . . . . 28 5 SER CB 13C . 63.616 0.041 . . . . 29 5 SER H 1H . 7.963 0.002 . . . . 30 5 SER HA 1H . 4.251 0.007 . . . . 31 5 SER HB2 1H . 3.722 0.005 . . . . 32 5 SER N 15N . 116.441 0.033 . . . . 33 6 ARG C 13C . 172.142 0.000 . . . . 34 6 ARG CA 13C . 54.648 0.048 . . . . 35 6 ARG CB 13C . 33.265 0.024 . . . . 36 6 ARG CD 13C . 43.165 0.049 . . . . 37 6 ARG CG 13C . 26.003 0.042 . . . . 38 6 ARG H 1H . 8.448 0.004 . . . . 39 6 ARG HA 1H . 4.542 0.003 . . . . 40 6 ARG HB2 1H . 1.408 0.013 . . . . 41 6 ARG HB3 1H . 1.344 0.012 . . . . 42 6 ARG HD2 1H . 1.916 0.006 . . . . 43 6 ARG HD3 1H . 1.568 0.006 . . . . 44 6 ARG HE 1H . 6.428 0.002 . . . . 45 6 ARG HG2 1H . 1.050 0.007 . . . . 46 6 ARG HG3 1H . 0.375 0.004 . . . . 47 6 ARG N 15N . 122.499 0.062 . . . . 48 6 ARG NE 15N . 134.305 0.028 . . . . 49 7 LEU C 13C . 175.867 0.000 . . . . 50 7 LEU CA 13C . 54.449 0.084 . . . . 51 7 LEU CB 13C . 42.831 0.020 . . . . 52 7 LEU CD1 13C . 25.472 0.067 . . . . 53 7 LEU CD2 13C . 24.591 0.039 . . . . 54 7 LEU CG 13C . 27.301 0.008 . . . . 55 7 LEU H 1H . 7.645 0.002 . . . . 56 7 LEU HA 1H . 4.873 0.003 . . . . 57 7 LEU HB2 1H . 1.458 0.007 . . . . 58 7 LEU HB3 1H . 1.322 0.005 . . . . 59 7 LEU HD1 1H . 0.736 0.003 . . . . 60 7 LEU HD2 1H . 0.744 0.004 . . . . 61 7 LEU HG 1H . 1.382 0.012 . . . . 62 7 LEU N 15N . 121.810 0.022 . . . . 63 8 TRP C 13C . 174.938 0.000 . . . . 64 8 TRP CA 13C . 55.699 0.090 . . . . 65 8 TRP CB 13C . 29.915 0.088 . . . . 66 8 TRP CD1 13C . 129.843 0.082 . . . . 67 8 TRP CE3 13C . 120.816 0.165 . . . . 68 8 TRP CH2 13C . 122.879 0.061 . . . . 69 8 TRP CZ2 13C . 113.368 0.122 . . . . 70 8 TRP CZ3 13C . 120.240 0.082 . . . . 71 8 TRP H 1H . 9.069 0.005 . . . . 72 8 TRP HA 1H . 4.748 0.003 . . . . 73 8 TRP HB2 1H . 2.917 0.005 . . . . 74 8 TRP HB3 1H . 2.495 0.006 . . . . 75 8 TRP HD1 1H . 7.641 0.003 . . . . 76 8 TRP HE1 1H . 9.755 0.014 . . . . 77 8 TRP HE3 1H . 7.550 0.006 . . . . 78 8 TRP HH2 1H . 7.049 0.006 . . . . 79 8 TRP HZ2 1H . 7.441 0.004 . . . . 80 8 TRP HZ3 1H . 6.951 0.014 . . . . 81 8 TRP N 15N . 128.700 0.062 . . . . 82 8 TRP NE1 15N . 130.967 0.051 . . . . 83 9 VAL C 13C . 176.003 0.000 . . . . 84 9 VAL CA 13C . 60.638 0.066 . . . . 85 9 VAL CB 13C . 35.465 0.042 . . . . 86 9 VAL CG1 13C . 21.572 0.028 . . . . 87 9 VAL CG2 13C . 22.065 0.039 . . . . 88 9 VAL H 1H . 9.936 0.004 . . . . 89 9 VAL HA 1H . 5.340 0.005 . . . . 90 9 VAL HB 1H . 1.992 0.006 . . . . 91 9 VAL HG1 1H . 1.348 0.005 . . . . 92 9 VAL HG2 1H . 0.994 0.004 . . . . 93 9 VAL N 15N . 122.598 0.054 . . . . 94 10 ASP C 13C . 176.534 0.000 . . . . 95 10 ASP CA 13C . 54.431 0.080 . . . . 96 10 ASP CB 13C . 42.954 0.046 . . . . 97 10 ASP H 1H . 9.105 0.005 . . . . 98 10 ASP HA 1H . 5.308 0.007 . . . . 99 10 ASP HB2 1H . 3.361 0.002 . . . . 100 10 ASP HB3 1H . 2.544 0.004 . . . . 101 10 ASP N 15N . 124.692 0.061 . . . . 102 11 ARG C 13C . 176.282 0.000 . . . . 103 11 ARG CA 13C . 57.838 0.047 . . . . 104 11 ARG CB 13C . 29.563 0.038 . . . . 105 11 ARG CD 13C . 41.437 0.026 . . . . 106 11 ARG CG 13C . 26.305 0.025 . . . . 107 11 ARG H 1H . 8.224 0.005 . . . . 108 11 ARG HA 1H . 3.694 0.004 . . . . 109 11 ARG HB2 1H . 1.938 0.010 . . . . 110 11 ARG HB3 1H . 1.643 0.008 . . . . 111 11 ARG HD2 1H . 3.385 0.004 . . . . 112 11 ARG HE 1H . 6.722 0.005 . . . . 113 11 ARG HG2 1H . 1.901 0.008 . . . . 114 11 ARG HG3 1H . 1.538 0.006 . . . . 115 11 ARG N 15N . 122.040 0.041 . . . . 116 11 ARG NE 15N . 132.599 0.102 . . . . 117 12 SER C 13C . 175.548 0.000 . . . . 118 12 SER CA 13C . 60.103 0.029 . . . . 119 12 SER CB 13C . 64.801 0.035 . . . . 120 12 SER H 1H . 8.045 0.007 . . . . 121 12 SER HA 1H . 4.358 0.003 . . . . 122 12 SER HB2 1H . 4.081 0.007 . . . . 123 12 SER HB3 1H . 3.926 0.003 . . . . 124 12 SER N 15N . 112.074 0.039 . . . . 125 13 GLY C 13C . 173.976 0.000 . . . . 126 13 GLY CA 13C . 45.713 0.050 . . . . 127 13 GLY H 1H . 7.843 0.005 . . . . 128 13 GLY HA2 1H . 4.166 0.003 . . . . 129 13 GLY HA3 1H . 3.612 0.005 . . . . 130 13 GLY N 15N . 112.016 0.043 . . . . 131 14 THR C 13C . 173.578 0.000 . . . . 132 14 THR CA 13C . 64.256 0.082 . . . . 133 14 THR CB 13C . 70.133 0.045 . . . . 134 14 THR CG2 13C . 21.386 0.017 . . . . 135 14 THR H 1H . 8.499 0.004 . . . . 136 14 THR HA 1H . 3.918 0.006 . . . . 137 14 THR HB 1H . 3.303 0.002 . . . . 138 14 THR HG2 1H . 0.454 0.003 . . . . 139 14 THR N 15N . 116.688 0.043 . . . . 140 15 PHE C 13C . 173.973 0.000 . . . . 141 15 PHE CA 13C . 57.059 0.102 . . . . 142 15 PHE CB 13C . 42.297 0.054 . . . . 143 15 PHE CD1 13C . 131.493 0.149 . . . . 144 15 PHE H 1H . 8.881 0.005 . . . . 145 15 PHE HA 1H . 5.056 0.005 . . . . 146 15 PHE HB2 1H . 3.275 0.004 . . . . 147 15 PHE HB3 1H . 2.535 0.008 . . . . 148 15 PHE HD1 1H . 7.235 0.009 . . . . 149 15 PHE HZ 1H . 7.346 0.000 . . . . 150 15 PHE N 15N . 122.857 0.078 . . . . 151 16 LYS C 13C . 176.402 0.000 . . . . 152 16 LYS CA 13C . 54.683 0.053 . . . . 153 16 LYS CB 13C . 36.638 0.032 . . . . 154 16 LYS CD 13C . 30.306 0.017 . . . . 155 16 LYS CE 13C . 42.392 0.013 . . . . 156 16 LYS CG 13C . 25.246 0.047 . . . . 157 16 LYS H 1H . 8.476 0.003 . . . . 158 16 LYS HA 1H . 6.016 0.005 . . . . 159 16 LYS HB2 1H . 1.813 0.007 . . . . 160 16 LYS HB3 1H . 1.704 0.004 . . . . 161 16 LYS HD2 1H . 1.598 0.005 . . . . 162 16 LYS HE2 1H . 2.870 0.004 . . . . 163 16 LYS HG2 1H . 1.494 0.008 . . . . 164 16 LYS HG3 1H . 1.354 0.005 . . . . 165 16 LYS N 15N . 118.951 0.073 . . . . 166 17 VAL C 13C . 171.225 0.000 . . . . 167 17 VAL CA 13C . 60.144 0.031 . . . . 168 17 VAL CB 13C . 35.696 0.021 . . . . 169 17 VAL CG1 13C . 22.791 0.033 . . . . 170 17 VAL CG2 13C . 19.311 0.042 . . . . 171 17 VAL H 1H . 8.738 0.005 . . . . 172 17 VAL HA 1H . 4.433 0.004 . . . . 173 17 VAL HB 1H . 1.527 0.003 . . . . 174 17 VAL HG1 1H . 0.826 0.004 . . . . 175 17 VAL HG2 1H . -0.057 0.003 . . . . 176 17 VAL N 15N . 120.365 0.047 . . . . 177 18 ASP C 13C . 175.709 0.000 . . . . 178 18 ASP CA 13C . 53.486 0.053 . . . . 179 18 ASP CB 13C . 42.073 0.018 . . . . 180 18 ASP H 1H . 8.336 0.004 . . . . 181 18 ASP HA 1H . 5.371 0.005 . . . . 182 18 ASP HB2 1H . 2.550 0.004 . . . . 183 18 ASP HB3 1H . 2.388 0.005 . . . . 184 18 ASP N 15N . 127.524 0.043 . . . . 185 19 ALA C 13C . 177.156 0.000 . . . . 186 19 ALA CA 13C . 52.192 0.079 . . . . 187 19 ALA CB 13C . 24.681 0.069 . . . . 188 19 ALA H 1H . 9.589 0.006 . . . . 189 19 ALA HA 1H . 4.917 0.007 . . . . 190 19 ALA HB 1H . 1.070 0.005 . . . . 191 19 ALA N 15N . 124.099 0.036 . . . . 192 20 GLU C 13C . 176.245 0.000 . . . . 193 20 GLU CA 13C . 54.958 0.033 . . . . 194 20 GLU CB 13C . 32.816 0.051 . . . . 195 20 GLU CG 13C . 36.357 0.036 . . . . 196 20 GLU H 1H . 8.726 0.005 . . . . 197 20 GLU HA 1H . 4.939 0.006 . . . . 198 20 GLU HB2 1H . 2.077 0.008 . . . . 199 20 GLU HB3 1H . 1.996 0.006 . . . . 200 20 GLU HG2 1H . 2.362 0.006 . . . . 201 20 GLU HG3 1H . 2.168 0.007 . . . . 202 20 GLU N 15N . 122.675 0.071 . . . . 203 21 PHE C 13C . 174.792 0.000 . . . . 204 21 PHE CA 13C . 59.225 0.047 . . . . 205 21 PHE CB 13C . 40.204 0.051 . . . . 206 21 PHE CD1 13C . 131.312 0.056 . . . . 207 21 PHE H 1H . 9.571 0.004 . . . . 208 21 PHE HA 1H . 4.510 0.006 . . . . 209 21 PHE HB2 1H . 3.665 0.004 . . . . 210 21 PHE HB3 1H . 3.382 0.004 . . . . 211 21 PHE HD1 1H . 7.261 0.008 . . . . 212 21 PHE HE1 1H . 7.135 0.011 . . . . 213 21 PHE HZ 1H . 7.050 0.000 . . . . 214 21 PHE N 15N . 125.395 0.055 . . . . 215 22 ILE C 13C . 175.625 0.000 . . . . 216 22 ILE CA 13C . 61.284 0.086 . . . . 217 22 ILE CB 13C . 38.971 0.042 . . . . 218 22 ILE CD1 13C . 13.449 0.052 . . . . 219 22 ILE CG1 13C . 27.355 0.041 . . . . 220 22 ILE CG2 13C . 17.804 0.039 . . . . 221 22 ILE H 1H . 8.238 0.003 . . . . 222 22 ILE HA 1H . 4.205 0.003 . . . . 223 22 ILE HB 1H . 1.646 0.005 . . . . 224 22 ILE HD1 1H . 0.641 0.005 . . . . 225 22 ILE HG12 1H . 1.118 0.005 . . . . 226 22 ILE HG13 1H . 0.826 0.007 . . . . 227 22 ILE HG2 1H . 0.731 0.007 . . . . 228 22 ILE N 15N . 123.593 0.066 . . . . 229 23 GLY C 13C . 170.724 0.000 . . . . 230 23 GLY CA 13C . 46.126 0.052 . . . . 231 23 GLY H 1H . 5.914 0.003 . . . . 232 23 GLY HA2 1H . 3.999 0.003 . . . . 233 23 GLY HA3 1H . 3.515 0.005 . . . . 234 23 GLY N 15N . 104.746 0.075 . . . . 235 24 CYS C 13C . 172.682 0.000 . . . . 236 24 CYS CA 13C . 56.656 0.067 . . . . 237 24 CYS CB 13C . 29.703 0.059 . . . . 238 24 CYS H 1H . 8.875 0.005 . . . . 239 24 CYS HA 1H . 5.479 0.008 . . . . 240 24 CYS HB2 1H . 3.055 0.006 . . . . 241 24 CYS HB3 1H . 2.926 0.004 . . . . 242 24 CYS N 15N . 120.550 0.064 . . . . 243 25 ALA CA 13C . 52.935 0.071 . . . . 244 25 ALA CB 13C . 22.010 0.072 . . . . 245 25 ALA H 1H . 8.768 0.002 . . . . 246 25 ALA HA 1H . 4.602 0.004 . . . . 247 25 ALA HB 1H . 1.378 0.004 . . . . 248 25 ALA N 15N . 127.773 0.042 . . . . 249 26 LYS C 13C . 176.111 0.000 . . . . 250 26 LYS CA 13C . 56.648 0.100 . . . . 251 26 LYS CB 13C . 30.718 0.025 . . . . 252 26 LYS CD 13C . 25.683 0.007 . . . . 253 26 LYS CE 13C . 42.340 0.070 . . . . 254 26 LYS HA 1H . 3.947 0.002 . . . . 255 26 LYS HB2 1H . 2.010 0.003 . . . . 256 26 LYS HB3 1H . 1.819 0.005 . . . . 257 26 LYS HD2 1H . 1.406 0.002 . . . . 258 26 LYS HD3 1H . 1.313 0.001 . . . . 259 26 LYS HE2 1H . 2.990 0.000 . . . . 260 26 LYS HG2 1H . 1.699 0.014 . . . . 261 27 GLY C 13C . 173.591 0.000 . . . . 262 27 GLY CA 13C . 46.220 0.025 . . . . 263 27 GLY H 1H . 8.734 0.007 . . . . 264 27 GLY HA2 1H . 3.956 0.005 . . . . 265 27 GLY HA3 1H . 3.131 0.007 . . . . 266 27 GLY N 15N . 104.376 0.058 . . . . 267 28 LYS C 13C . 174.006 0.000 . . . . 268 28 LYS CA 13C . 54.119 0.039 . . . . 269 28 LYS CB 13C . 35.311 0.028 . . . . 270 28 LYS CD 13C . 29.574 0.092 . . . . 271 28 LYS CE 13C . 42.419 0.027 . . . . 272 28 LYS CG 13C . 25.366 0.052 . . . . 273 28 LYS H 1H . 7.911 0.003 . . . . 274 28 LYS HA 1H . 4.767 0.004 . . . . 275 28 LYS HB2 1H . 1.770 0.004 . . . . 276 28 LYS HB3 1H . 1.045 0.003 . . . . 277 28 LYS HD2 1H . 1.372 0.006 . . . . 278 28 LYS HE2 1H . 2.889 0.005 . . . . 279 28 LYS HG2 1H . 1.340 0.013 . . . . 280 28 LYS HG3 1H . 1.066 0.003 . . . . 281 28 LYS N 15N . 119.129 0.048 . . . . 282 29 ILE C 13C . 174.252 0.000 . . . . 283 29 ILE CA 13C . 59.994 0.061 . . . . 284 29 ILE CB 13C . 38.687 0.031 . . . . 285 29 ILE CG2 13C . 19.116 0.048 . . . . 286 29 ILE CG1 13C . 31.544 0.059 . . . . 287 29 ILE CD1 13C . 14.265 0.034 . . . . 288 29 ILE H 1H . 9.170 0.003 . . . . 289 29 ILE HA 1H . 4.434 0.005 . . . . 290 29 ILE HB 1H . 1.748 0.006 . . . . 291 29 ILE HG2 1H . 0.796 0.004 . . . . 292 29 ILE HG12 1H . 1.465 0.006 . . . . 293 29 ILE HD1 1H . 0.903 0.005 . . . . 294 29 ILE N 15N . 123.435 0.075 . . . . 295 30 HIS C 13C . 174.233 0.000 . . . . 296 30 HIS CA 13C . 55.636 0.049 . . . . 297 30 HIS CB 13C . 32.066 0.072 . . . . 298 30 HIS CD2 13C . 118.454 0.084 . . . . 299 30 HIS H 1H . 9.100 0.007 . . . . 300 30 HIS HA 1H . 5.089 0.009 . . . . 301 30 HIS HB2 1H . 2.621 0.010 . . . . 302 30 HIS HD2 1H . 6.514 0.006 . . . . 303 30 HIS N 15N . 128.342 0.038 . . . . 304 31 LEU C 13C . 174.582 0.000 . . . . 305 31 LEU CA 13C . 52.938 0.030 . . . . 306 31 LEU CB 13C . 45.921 0.043 . . . . 307 31 LEU CD1 13C . 24.527 0.064 . . . . 308 31 LEU CD2 13C . 22.637 0.036 . . . . 309 31 LEU CG 13C . 25.887 0.060 . . . . 310 31 LEU H 1H . 8.717 0.004 . . . . 311 31 LEU HA 1H . 4.936 0.006 . . . . 312 31 LEU HB2 1H . 1.278 0.007 . . . . 313 31 LEU HB3 1H . 0.623 0.005 . . . . 314 31 LEU HD1 1H . -0.139 0.004 . . . . 315 31 LEU HD2 1H . -0.540 0.006 . . . . 316 31 LEU HG 1H . 0.987 0.004 . . . . 317 31 LEU N 15N . 123.269 0.053 . . . . 318 32 HIS C 13C . 175.859 0.000 . . . . 319 32 HIS CA 13C . 53.904 0.052 . . . . 320 32 HIS CB 13C . 31.865 0.088 . . . . 321 32 HIS CD2 13C . 118.170 0.081 . . . . 322 32 HIS H 1H . 9.331 0.004 . . . . 323 32 HIS HA 1H . 4.961 0.007 . . . . 324 32 HIS HB2 1H . 3.331 0.006 . . . . 325 32 HIS HB3 1H . 2.701 0.004 . . . . 326 32 HIS HD2 1H . 6.675 0.007 . . . . 327 32 HIS N 15N . 122.769 0.050 . . . . 328 33 LYS C 13C . 177.618 0.000 . . . . 329 33 LYS CA 13C . 57.931 0.063 . . . . 330 33 LYS CB 13C . 33.642 0.051 . . . . 331 33 LYS CD 13C . 25.806 0.112 . . . . 332 33 LYS CE 13C . 41.584 0.043 . . . . 333 33 LYS CG 13C . 26.283 0.035 . . . . 334 33 LYS H 1H . 8.846 0.006 . . . . 335 33 LYS HA 1H . 4.359 0.004 . . . . 336 33 LYS HB2 1H . 2.506 0.006 . . . . 337 33 LYS HB3 1H . 2.011 0.005 . . . . 338 33 LYS HD2 1H . 1.865 0.002 . . . . 339 33 LYS HE2 1H . 3.158 0.005 . . . . 340 33 LYS HE3 1H . 2.797 0.008 . . . . 341 33 LYS HG2 1H . 1.636 0.005 . . . . 342 33 LYS HG3 1H . 1.161 0.007 . . . . 343 33 LYS N 15N . 126.527 0.062 . . . . 344 34 ALA C 13C . 178.018 0.000 . . . . 345 34 ALA CA 13C . 54.931 0.081 . . . . 346 34 ALA CB 13C . 18.814 0.047 . . . . 347 34 ALA H 1H . 8.242 0.002 . . . . 348 34 ALA HA 1H . 4.068 0.005 . . . . 349 34 ALA HB 1H . 1.415 0.004 . . . . 350 34 ALA N 15N . 123.414 0.049 . . . . 351 35 ASN C 13C . 176.315 0.000 . . . . 352 35 ASN CA 13C . 53.030 0.028 . . . . 353 35 ASN CB 13C . 37.158 0.025 . . . . 354 35 ASN H 1H . 7.691 0.004 . . . . 355 35 ASN HA 1H . 4.542 0.007 . . . . 356 35 ASN HB2 1H . 3.262 0.004 . . . . 357 35 ASN HB3 1H . 2.829 0.004 . . . . 358 35 ASN HD21 1H . 7.544 0.004 . . . . 359 35 ASN HD22 1H . 7.117 0.002 . . . . 360 35 ASN N 15N . 114.280 0.066 . . . . 361 35 ASN ND2 15N . 109.834 0.023 . . . . 362 36 GLY C 13C . 173.837 0.000 . . . . 363 36 GLY CA 13C . 45.270 0.026 . . . . 364 36 GLY H 1H . 8.314 0.005 . . . . 365 36 GLY HA2 1H . 4.295 0.013 . . . . 366 36 GLY HA3 1H . 3.683 0.009 . . . . 367 36 GLY N 15N . 108.795 0.065 . . . . 368 37 VAL C 13C . 175.360 0.000 . . . . 369 37 VAL CA 13C . 63.019 0.054 . . . . 370 37 VAL CB 13C . 32.710 0.017 . . . . 371 37 VAL CG1 13C . 21.910 0.064 . . . . 372 37 VAL CG2 13C . 22.542 0.051 . . . . 373 37 VAL H 1H . 7.496 0.005 . . . . 374 37 VAL HA 1H . 3.916 0.005 . . . . 375 37 VAL HB 1H . 2.128 0.003 . . . . 376 37 VAL HG1 1H . 0.874 0.004 . . . . 377 37 VAL HG2 1H . 0.793 0.006 . . . . 378 37 VAL N 15N . 122.871 0.056 . . . . 379 38 LYS C 13C . 176.198 0.000 . . . . 380 38 LYS CA 13C . 55.846 0.052 . . . . 381 38 LYS CB 13C . 33.128 0.026 . . . . 382 38 LYS CD 13C . 29.796 0.019 . . . . 383 38 LYS CE 13C . 42.031 0.055 . . . . 384 38 LYS CG 13C . 26.396 0.049 . . . . 385 38 LYS H 1H . 8.341 0.003 . . . . 386 38 LYS HA 1H . 5.179 0.006 . . . . 387 38 LYS HB2 1H . 1.618 0.004 . . . . 388 38 LYS HD2 1H . 1.451 0.004 . . . . 389 38 LYS HE2 1H . 2.530 0.004 . . . . 390 38 LYS HG2 1H . 1.222 0.006 . . . . 391 38 LYS HG3 1H . 0.839 0.003 . . . . 392 38 LYS N 15N . 127.579 0.082 . . . . 393 39 ILE C 13C . 174.063 0.000 . . . . 394 39 ILE CA 13C . 59.341 0.053 . . . . 395 39 ILE CB 13C . 42.607 0.049 . . . . 396 39 ILE CD1 13C . 15.006 0.050 . . . . 397 39 ILE CG1 13C . 26.831 0.037 . . . . 398 39 ILE CG2 13C . 19.370 0.072 . . . . 399 39 ILE H 1H . 8.811 0.005 . . . . 400 39 ILE HA 1H . 4.755 0.003 . . . . 401 39 ILE HB 1H . 1.842 0.005 . . . . 402 39 ILE HD1 1H . 0.866 0.006 . . . . 403 39 ILE HG12 1H . 1.273 0.006 . . . . 404 39 ILE HG13 1H . 0.868 0.004 . . . . 405 39 ILE HG2 1H . 0.808 0.007 . . . . 406 39 ILE N 15N . 115.382 0.051 . . . . 407 40 ALA C 13C . 176.013 0.000 . . . . 408 40 ALA CA 13C . 50.667 0.000 . . . . 409 40 ALA CB 13C . 20.894 0.029 . . . . 410 40 ALA H 1H . 8.553 0.003 . . . . 411 40 ALA HA 1H . 4.758 0.005 . . . . 412 40 ALA HB 1H . 0.797 0.005 . . . . 413 40 ALA N 15N . 125.879 0.049 . . . . 414 41 VAL C 13C . 174.830 0.000 . . . . 415 41 VAL CA 13C . 59.821 0.025 . . . . 416 41 VAL CB 13C . 34.944 0.070 . . . . 417 41 VAL CG1 13C . 21.536 0.046 . . . . 418 41 VAL CG2 13C . 21.751 0.042 . . . . 419 41 VAL H 1H . 9.041 0.005 . . . . 420 41 VAL HA 1H . 4.225 0.004 . . . . 421 41 VAL HB 1H . 1.778 0.004 . . . . 422 41 VAL HG1 1H . 0.850 0.005 . . . . 423 41 VAL HG2 1H . 0.803 0.004 . . . . 424 41 VAL N 15N . 123.329 0.092 . . . . 425 42 ALA C 13C . 179.102 0.000 . . . . 426 42 ALA CA 13C . 53.439 0.059 . . . . 427 42 ALA CB 13C . 19.249 0.049 . . . . 428 42 ALA H 1H . 8.944 0.004 . . . . 429 42 ALA HA 1H . 4.174 0.004 . . . . 430 42 ALA HB 1H . 1.444 0.006 . . . . 431 42 ALA N 15N . 131.026 0.079 . . . . 432 43 ALA C 13C . 177.249 0.000 . . . . 433 43 ALA CA 13C . 56.056 0.000 . . . . 434 43 ALA CB 13C . 17.857 0.015 . . . . 435 43 ALA H 1H . 8.075 0.005 . . . . 436 43 ALA HA 1H . 3.723 0.006 . . . . 437 43 ALA HB 1H . 0.582 0.007 . . . . 438 43 ALA N 15N . 123.563 0.059 . . . . 439 44 ASP C 13C . 176.125 0.000 . . . . 440 44 ASP CA 13C . 54.758 0.000 . . . . 441 44 ASP CB 13C . 39.632 0.030 . . . . 442 44 ASP H 1H . 8.237 0.004 . . . . 443 44 ASP HA 1H . 4.796 0.007 . . . . 444 44 ASP HB2 1H . 3.121 0.006 . . . . 445 44 ASP HB3 1H . 2.847 0.007 . . . . 446 44 ASP N 15N . 108.757 0.037 . . . . 447 45 LYS C 13C . 177.534 0.000 . . . . 448 45 LYS CA 13C . 55.812 0.051 . . . . 449 45 LYS CB 13C . 32.382 0.000 . . . . 450 45 LYS CD 13C . 29.162 0.057 . . . . 451 45 LYS CE 13C . 42.300 0.000 . . . . 452 45 LYS CG 13C . 25.634 0.088 . . . . 453 45 LYS H 1H . 7.937 0.004 . . . . 454 45 LYS HA 1H . 4.461 0.006 . . . . 455 45 LYS HB2 1H . 1.969 0.014 . . . . 456 45 LYS HB3 1H . 1.775 0.005 . . . . 457 45 LYS HD2 1H . 1.603 0.006 . . . . 458 45 LYS HE2 1H . 2.929 0.004 . . . . 459 45 LYS HG2 1H . 1.485 0.002 . . . . 460 45 LYS HG3 1H . 1.393 0.006 . . . . 461 45 LYS N 15N . 115.295 0.035 . . . . 462 46 LEU C 13C . 177.190 0.000 . . . . 463 46 LEU CA 13C . 54.109 0.084 . . . . 464 46 LEU CB 13C . 45.312 0.058 . . . . 465 46 LEU CD1 13C . 24.942 0.037 . . . . 466 46 LEU CD2 13C . 26.974 0.047 . . . . 467 46 LEU CG 13C . 27.988 0.082 . . . . 468 46 LEU H 1H . 7.661 0.003 . . . . 469 46 LEU HA 1H . 4.972 0.006 . . . . 470 46 LEU HB2 1H . 2.189 0.006 . . . . 471 46 LEU HB3 1H . 2.013 0.003 . . . . 472 46 LEU HD1 1H . 1.255 0.005 . . . . 473 46 LEU HD2 1H . 1.075 0.004 . . . . 474 46 LEU HG 1H . 1.838 0.005 . . . . 475 46 LEU N 15N . 120.619 0.024 . . . . 476 47 SER C 13C . 174.519 0.000 . . . . 477 47 SER CA 13C . 59.179 0.018 . . . . 478 47 SER CB 13C . 64.710 0.033 . . . . 479 47 SER H 1H . 8.765 0.005 . . . . 480 47 SER HA 1H . 4.271 0.005 . . . . 481 47 SER HB2 1H . 4.287 0.004 . . . . 482 47 SER HB3 1H . 4.069 0.004 . . . . 483 47 SER N 15N . 115.390 0.041 . . . . 484 48 ASN C 13C . 178.936 0.000 . . . . 485 48 ASN CA 13C . 56.242 0.000 . . . . 486 48 ASN CB 13C . 37.365 0.010 . . . . 487 48 ASN H 1H . 9.146 0.004 . . . . 488 48 ASN HA 1H . 4.433 0.004 . . . . 489 48 ASN HB2 1H . 2.872 0.004 . . . . 490 48 ASN HD21 1H . 7.507 0.004 . . . . 491 48 ASN HD22 1H . 7.262 0.003 . . . . 492 48 ASN N 15N . 121.587 0.043 . . . . 493 48 ASN ND2 15N . 108.941 0.214 . . . . 494 49 GLU C 13C . 179.590 0.000 . . . . 495 49 GLU CA 13C . 60.292 0.042 . . . . 496 49 GLU CB 13C . 29.273 0.040 . . . . 497 49 GLU CG 13C . 36.984 0.024 . . . . 498 49 GLU H 1H . 9.141 0.004 . . . . 499 49 GLU HA 1H . 4.054 0.002 . . . . 500 49 GLU HB2 1H . 2.107 0.005 . . . . 501 49 GLU HB3 1H . 1.876 0.004 . . . . 502 49 GLU HG2 1H . 2.410 0.004 . . . . 503 49 GLU HG3 1H . 2.257 0.005 . . . . 504 49 GLU N 15N . 120.624 0.053 . . . . 505 50 ASP C 13C . 178.666 0.000 . . . . 506 50 ASP CA 13C . 58.263 0.053 . . . . 507 50 ASP CB 13C . 42.617 0.052 . . . . 508 50 ASP H 1H . 7.854 0.003 . . . . 509 50 ASP HA 1H . 4.453 0.005 . . . . 510 50 ASP HB2 1H . 3.192 0.014 . . . . 511 50 ASP HB3 1H . 3.031 0.005 . . . . 512 50 ASP N 15N . 121.829 0.022 . . . . 513 51 LEU C 13C . 178.754 0.000 . . . . 514 51 LEU CA 13C . 58.048 0.034 . . . . 515 51 LEU CB 13C . 41.186 0.034 . . . . 516 51 LEU CD1 13C . 23.459 0.092 . . . . 517 51 LEU CD2 13C . 26.647 0.068 . . . . 518 51 LEU CG 13C . 27.468 0.111 . . . . 519 51 LEU H 1H . 8.125 0.003 . . . . 520 51 LEU HA 1H . 4.142 0.006 . . . . 521 51 LEU HB2 1H . 2.111 0.005 . . . . 522 51 LEU HB3 1H . 1.200 0.005 . . . . 523 51 LEU HD1 1H . 1.077 0.004 . . . . 524 51 LEU HD2 1H . 0.919 0.004 . . . . 525 51 LEU HG 1H . 2.019 0.010 . . . . 526 51 LEU N 15N . 119.819 0.059 . . . . 527 52 ALA C 13C . 180.589 0.000 . . . . 528 52 ALA CA 13C . 54.836 0.068 . . . . 529 52 ALA CB 13C . 17.919 0.058 . . . . 530 52 ALA H 1H . 8.397 0.006 . . . . 531 52 ALA HA 1H . 4.586 0.005 . . . . 532 52 ALA HB 1H . 1.512 0.005 . . . . 533 52 ALA N 15N . 121.449 0.032 . . . . 534 53 TYR C 13C . 176.610 0.000 . . . . 535 53 TYR CA 13C . 61.599 0.040 . . . . 536 53 TYR CB 13C . 37.335 0.048 . . . . 537 53 TYR CD1 13C . 132.260 0.079 . . . . 538 53 TYR CE1 13C . 117.816 0.072 . . . . 539 53 TYR H 1H . 7.687 0.003 . . . . 540 53 TYR HA 1H . 4.113 0.006 . . . . 541 53 TYR HB2 1H . 3.254 0.007 . . . . 542 53 TYR HB3 1H . 2.994 0.004 . . . . 543 53 TYR HD1 1H . 6.875 0.009 . . . . 544 53 TYR HE1 1H . 6.614 0.005 . . . . 545 53 TYR N 15N . 120.917 0.053 . . . . 546 54 VAL C 13C . 180.040 0.000 . . . . 547 54 VAL CA 13C . 66.822 0.037 . . . . 548 54 VAL CB 13C . 32.069 0.074 . . . . 549 54 VAL CG1 13C . 24.145 0.035 . . . . 550 54 VAL CG2 13C . 23.811 0.043 . . . . 551 54 VAL H 1H . 8.085 0.002 . . . . 552 54 VAL HA 1H . 2.964 0.006 . . . . 553 54 VAL HB 1H . 2.296 0.003 . . . . 554 54 VAL HG1 1H . 1.322 0.004 . . . . 555 54 VAL HG2 1H . 0.933 0.006 . . . . 556 54 VAL N 15N . 119.406 0.040 . . . . 557 55 GLU C 13C . 179.387 0.000 . . . . 558 55 GLU CA 13C . 59.795 0.041 . . . . 559 55 GLU CB 13C . 30.630 0.039 . . . . 560 55 GLU CG 13C . 36.929 0.042 . . . . 561 55 GLU H 1H . 8.817 0.003 . . . . 562 55 GLU HA 1H . 4.014 0.005 . . . . 563 55 GLU HB2 1H . 2.456 0.004 . . . . 564 55 GLU HB3 1H . 1.914 0.005 . . . . 565 55 GLU HG2 1H . 2.719 0.005 . . . . 566 55 GLU HG3 1H . 2.589 0.005 . . . . 567 55 GLU N 15N . 123.049 0.025 . . . . 568 56 LYS C 13C . 179.099 0.000 . . . . 569 56 LYS CA 13C . 59.008 0.037 . . . . 570 56 LYS CB 13C . 32.301 0.092 . . . . 571 56 LYS CD 13C . 29.605 0.000 . . . . 572 56 LYS CE 13C . 42.417 0.000 . . . . 573 56 LYS CG 13C . 25.247 0.030 . . . . 574 56 LYS H 1H . 7.744 0.003 . . . . 575 56 LYS HA 1H . 3.933 0.002 . . . . 576 56 LYS HB2 1H . 1.915 0.007 . . . . 577 56 LYS HB3 1H . 1.877 0.009 . . . . 578 56 LYS HD2 1H . 1.626 0.009 . . . . 579 56 LYS HE2 1H . 2.942 0.004 . . . . 580 56 LYS HG2 1H . 1.461 0.003 . . . . 581 56 LYS HG3 1H . 1.319 0.004 . . . . 582 56 LYS N 15N . 120.380 0.036 . . . . 583 57 ILE C 13C . 178.090 0.000 . . . . 584 57 ILE CA 13C . 62.836 0.043 . . . . 585 57 ILE CB 13C . 37.743 0.026 . . . . 586 57 ILE CD1 13C . 12.534 0.033 . . . . 587 57 ILE CG1 13C . 27.229 0.024 . . . . 588 57 ILE CG2 13C . 18.050 0.024 . . . . 589 57 ILE H 1H . 7.493 0.004 . . . . 590 57 ILE HA 1H . 3.938 0.005 . . . . 591 57 ILE HB 1H . 1.605 0.005 . . . . 592 57 ILE HD1 1H . 0.313 0.009 . . . . 593 57 ILE HG12 1H . 0.888 0.004 . . . . 594 57 ILE HG2 1H . 0.652 0.003 . . . . 595 57 ILE N 15N . 114.317 0.041 . . . . 596 58 THR C 13C . 176.325 0.000 . . . . 597 58 THR CA 13C . 62.611 0.055 . . . . 598 58 THR CB 13C . 71.781 0.053 . . . . 599 58 THR CG2 13C . 22.921 0.027 . . . . 600 58 THR H 1H . 7.882 0.003 . . . . 601 58 THR HA 1H . 4.209 0.003 . . . . 602 58 THR HB 1H . 3.373 0.002 . . . . 603 58 THR HG2 1H . 1.313 0.003 . . . . 604 58 THR N 15N . 108.479 0.026 . . . . 605 59 GLY C 13C . 174.099 0.000 . . . . 606 59 GLY CA 13C . 45.834 0.040 . . . . 607 59 GLY H 1H . 8.167 0.003 . . . . 608 59 GLY HA2 1H . 4.088 0.005 . . . . 609 59 GLY HA3 1H . 3.748 0.004 . . . . 610 59 GLY N 15N . 110.931 0.085 . . . . 611 60 PHE C 13C . 175.220 0.000 . . . . 612 60 PHE CA 13C . 55.444 0.069 . . . . 613 60 PHE CB 13C . 39.659 0.038 . . . . 614 60 PHE CD1 13C . 130.565 0.062 . . . . 615 60 PHE CE1 13C . 130.578 0.022 . . . . 616 60 PHE H 1H . 8.048 0.004 . . . . 617 60 PHE HA 1H . 4.898 0.007 . . . . 618 60 PHE HB2 1H . 3.182 0.004 . . . . 619 60 PHE HB3 1H . 2.872 0.006 . . . . 620 60 PHE HD1 1H . 7.172 0.006 . . . . 621 60 PHE HE1 1H . 7.466 0.006 . . . . 622 60 PHE HZ 1H . 7.057 0.000 . . . . 623 60 PHE N 15N . 120.087 0.045 . . . . 624 61 SER CA 13C . 57.205 0.114 . . . . 625 61 SER CB 13C . 63.701 0.033 . . . . 626 61 SER H 1H . 8.411 0.007 . . . . 627 61 SER HA 1H . 4.655 0.012 . . . . 628 61 SER HB2 1H . 3.950 0.005 . . . . 629 61 SER HB3 1H . 3.848 0.011 . . . . 630 61 SER N 15N . 112.899 0.088 . . . . 631 62 LEU C 13C . 176.920 0.000 . . . . 632 62 LEU CA 13C . 53.858 0.117 . . . . 633 62 LEU CB 13C . 42.012 0.046 . . . . 634 62 LEU CD1 13C . 26.950 0.055 . . . . 635 62 LEU CD2 13C . 23.963 0.046 . . . . 636 62 LEU CG 13C . 27.920 0.102 . . . . 637 62 LEU H 1H . 11.032 0.004 . . . . 638 62 LEU HA 1H . 4.883 0.005 . . . . 639 62 LEU HB2 1H . 2.071 0.006 . . . . 640 62 LEU HB3 1H . 1.501 0.007 . . . . 641 62 LEU HD1 1H . 1.068 0.006 . . . . 642 62 LEU HD2 1H . 0.963 0.005 . . . . 643 62 LEU HG 1H . 1.695 0.005 . . . . 644 62 LEU N 15N . 132.417 0.046 . . . . 645 63 GLU C 13C . 178.287 0.000 . . . . 646 63 GLU CA 13C . 59.821 0.044 . . . . 647 63 GLU CB 13C . 30.487 0.034 . . . . 648 63 GLU CG 13C . 35.321 0.033 . . . . 649 63 GLU H 1H . 7.758 0.003 . . . . 650 63 GLU HA 1H . 3.678 0.005 . . . . 651 63 GLU HB2 1H . 2.092 0.003 . . . . 652 63 GLU HB3 1H . 1.911 0.003 . . . . 653 63 GLU HG2 1H . 2.246 0.004 . . . . 654 63 GLU N 15N . 121.863 0.034 . . . . 655 64 LYS C 13C . 176.586 0.000 . . . . 656 64 LYS CA 13C . 57.696 0.045 . . . . 657 64 LYS CB 13C . 31.879 0.027 . . . . 658 64 LYS CD 13C . 29.385 0.046 . . . . 659 64 LYS CE 13C . 42.021 0.020 . . . . 660 64 LYS CG 13C . 24.031 0.033 . . . . 661 64 LYS H 1H . 8.323 0.005 . . . . 662 64 LYS HA 1H . 4.006 0.003 . . . . 663 64 LYS HB2 1H . 1.450 0.006 . . . . 664 64 LYS HB3 1H . 1.282 0.006 . . . . 665 64 LYS HD2 1H . 1.360 0.006 . . . . 666 64 LYS HE2 1H . 2.722 0.001 . . . . 667 64 LYS HG2 1H . 0.903 0.005 . . . . 668 64 LYS HG3 1H . 0.534 0.004 . . . . 669 64 LYS N 15N . 115.653 0.043 . . . . 670 65 PHE C 13C . 175.318 0.000 . . . . 671 65 PHE CA 13C . 57.532 0.035 . . . . 672 65 PHE CB 13C . 40.579 0.070 . . . . 673 65 PHE CD1 13C . 131.095 0.102 . . . . 674 65 PHE CE1 13C . 131.039 0.104 . . . . 675 65 PHE H 1H . 7.751 0.003 . . . . 676 65 PHE HA 1H . 4.682 0.008 . . . . 677 65 PHE HB2 1H . 3.170 0.006 . . . . 678 65 PHE HB3 1H . 2.738 0.007 . . . . 679 65 PHE HD1 1H . 7.180 0.004 . . . . 680 65 PHE HE1 1H . 7.438 0.003 . . . . 681 65 PHE HZ 1H . 7.039 0.000 . . . . 682 65 PHE N 15N . 116.421 0.049 . . . . 683 66 LYS C 13C . 176.208 0.000 . . . . 684 66 LYS CA 13C . 57.072 0.052 . . . . 685 66 LYS CB 13C . 34.064 0.031 . . . . 686 66 LYS CD 13C . 30.617 0.057 . . . . 687 66 LYS CE 13C . 42.197 0.036 . . . . 688 66 LYS CG 13C . 27.502 0.044 . . . . 689 66 LYS H 1H . 7.274 0.003 . . . . 690 66 LYS HA 1H . 4.163 0.003 . . . . 691 66 LYS HB2 1H . 1.816 0.008 . . . . 692 66 LYS HD2 1H . 1.711 0.006 . . . . 693 66 LYS HD3 1H . 1.562 0.004 . . . . 694 66 LYS HE2 1H . 2.634 0.010 . . . . 695 66 LYS HG2 1H . 1.584 0.005 . . . . 696 66 LYS HG3 1H . 1.247 0.008 . . . . 697 66 LYS N 15N . 119.693 0.068 . . . . 698 67 ALA C 13C . 177.011 0.000 . . . . 699 67 ALA CA 13C . 52.586 0.072 . . . . 700 67 ALA CB 13C . 19.440 0.044 . . . . 701 67 ALA H 1H . 9.108 0.005 . . . . 702 67 ALA HA 1H . 4.410 0.005 . . . . 703 67 ALA HB 1H . 1.422 0.005 . . . . 704 67 ALA N 15N . 125.402 0.071 . . . . 705 68 ASN CA 13C . 55.142 0.028 . . . . 706 68 ASN CB 13C . 40.670 0.021 . . . . 707 68 ASN H 1H . 8.206 0.004 . . . . 708 68 ASN HA 1H . 4.479 0.003 . . . . 709 68 ASN HB2 1H . 2.744 0.007 . . . . 710 68 ASN HB3 1H . 2.655 0.004 . . . . 711 68 ASN HD21 1H . 7.437 0.002 . . . . 712 68 ASN HD22 1H . 6.791 0.001 . . . . 713 68 ASN N 15N . 126.147 0.091 . . . . 714 68 ASN ND2 15N . 112.781 0.034 . . . . stop_
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