============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 3 1.000 -0.718 39.205 154.867 -99.200 -91.000 TYR 19 0.840 -4.724 47.431 168.592 -99.200 -91.000 HIS 53 0.900 -15.406 44.254 171.461 -99.200 -91.000 PHE 55 1.000 -12.107 39.328 174.918 -99.200 -91.000 HIS 62 0.900 -6.851 22.673 188.371 -99.200 -91.000 HIS 64 0.900 -8.373 17.551 187.069 -99.200 -91.000 PHE 65 1.000 -9.832 18.629 178.427 -99.200 -91.000 TRP 73 1.040 -14.507 9.245 184.676 -99.200 -91.000 TRP6 73 1.020 -13.549 9.948 186.729 -99.200 -91.000 PHE 76 1.000 -5.558 14.195 175.905 -99.200 -91.000 TYR 91 0.840 -5.879 20.697 176.187 -99.200 -91.000 PHE 92 1.000 -0.260 25.213 180.780 -99.200 -91.000 TYR 123 0.840 -0.871 18.452 172.464 -99.200 -91.000 PHE 125 1.000 0.361 16.411 177.383 -99.200 -91.000 TRP 126 1.040 -0.746 21.171 185.259 -99.200 -91.000 TRP6 126 1.020 0.686 22.516 186.571 -99.200 -91.000 HIS 136 0.900 9.831 7.088 188.086 -99.200 -91.000 HIS 141 0.900 12.231 20.628 183.328 -99.200 -91.000 PHE 148 1.000 7.724 17.974 187.638 -99.200 -91.000 PHE 151 1.000 -4.981 16.497 194.048 -99.200 -91.000 PHE 160 1.000 -1.717 12.574 191.749 -99.200 -91.000 PHE 162 1.000 -2.446 12.400 201.792 -99.200 -91.000 HIS 164 0.900 4.174 10.759 202.783 -99.200 -91.000 HIS 185 0.900 -7.391 19.997 196.407 -99.200 -91.000 TYR 210 0.840 -18.272 19.201 200.202 -99.200 -91.000 PHE 229 1.000 6.561 21.639 204.025 -99.200 -91.000 HIS 238 0.900 -1.143 28.342 190.035 -99.200 -91.000 HIS 241 0.900 -8.428 23.458 193.118 -99.200 -91.000 HIS 268 0.900 -15.674 25.827 190.094 -99.200 -91.000 TYR 269 0.840 -13.864 27.477 194.281 -99.200 -91.000 PHE 272 1.000 -22.580 28.064 189.921 -99.200 -91.000 PHE 277 1.000 -22.413 22.770 197.357 -99.200 -91.000 TYR 282 0.840 -26.489 14.963 195.820 -99.200 -91.000 TRP 300 1.040 -16.855 38.056 191.785 -99.200 -91.000 TRP6 300 1.020 -16.240 38.443 189.540 -99.200 -91.000 HIS 315 0.900 -14.347 19.955 181.976 -99.200 -91.000 PHE 329 1.000 -20.690 15.308 204.300 -99.200 -91.000 TRP 332 1.040 -14.909 11.507 191.943 -99.200 -91.000 TRP6 332 1.020 -14.345 13.164 190.339 -99.200 -91.000 TYR 350 0.840 -17.485 44.410 179.273 -99.200 -91.000 HIS 351 0.900 -21.819 42.032 179.328 -99.200 -91.000 PHE 372 1.000 1.920 27.490 185.022 -99.200 -91.000 TYR 375 0.840 3.876 38.030 177.642 -99.200 -91.000 PHE 389 1.000 -5.718 35.497 165.998 -99.200 -91.000 TYR 398 0.840 -24.348 32.264 175.592 -99.200 -91.000 TYR 406 0.840 -19.411 21.703 170.711 -99.200 -91.000 TYR 407 0.840 -18.715 20.830 179.539 -99.200 -91.000 HIS 409 0.900 -20.317 11.176 180.209 -99.200 -91.000 TYR 414 0.840 -20.400 27.211 185.246 -99.200 -91.000 PHE 419 1.000 -23.003 31.500 181.036 -99.200 -91.000 HIS 425 0.900 -16.082 33.132 163.124 -99.200 -91.000 HIS 432 0.900 -13.003 29.590 161.156 -99.200 -91.000 TYR 434 0.840 -17.312 27.256 168.402 -99.200 -91.000 HIS 437 0.900 -25.793 29.888 164.875 -99.200 -91.000