============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 -9.128 11.617 -9.750 -99.200 -91.000 HIS 11 0.900 -19.570 9.624 -7.327 -99.200 -91.000 HIS 13 0.900 -14.273 4.493 -3.354 -99.200 -91.000 TYR 34 0.840 -1.610 18.539 -12.465 -99.200 -91.000 TYR 43 0.840 -24.812 20.056 -0.557 -99.200 -91.000 TYR 57 0.840 -21.486 18.335 -20.311 -99.200 -91.000 PHE 67 1.000 -4.386 30.356 -21.949 -99.200 -91.000 TRP 73 1.040 -20.021 28.302 -19.418 -99.200 -91.000 TRP6 73 1.020 -22.350 28.595 -19.812 -99.200 -91.000 PHE 77 1.000 -26.833 27.725 -23.121 -99.200 -91.000 PHE 81 1.000 -32.063 18.404 -28.393 -99.200 -91.000 TRP 82 1.040 -29.990 15.925 -23.682 -99.200 -91.000 TRP6 82 1.020 -32.328 15.975 -24.025 -99.200 -91.000 PHE 91 1.000 -26.725 25.672 -16.983 -99.200 -91.000 PHE 97 1.000 -14.917 18.396 -18.131 -99.200 -91.000 PHE 101 1.000 -11.841 23.552 -19.831 -99.200 -91.000 TRP 102 1.040 -11.682 30.509 -16.038 -99.200 -91.000 TRP6 102 1.020 -10.921 32.678 -16.594 -99.200 -91.000 TYR 114 0.840 -5.399 37.412 -6.926 -99.200 -91.000 TYR 128 0.840 -21.810 32.473 6.172 -99.200 -91.000 PHE 134 1.000 -25.901 19.582 9.968 -99.200 -91.000 TRP 136 1.040 -16.614 26.761 14.428 -99.200 -91.000 TRP6 136 1.020 -17.022 26.900 12.140 -99.200 -91.000 TYR 149 0.840 -29.383 24.700 17.586 -99.200 -91.000 TYR 161 0.840 -14.862 31.697 11.905 -99.200 -91.000 HIS 171 0.900 -30.865 19.143 12.708 -99.200 -91.000 PHE 181 1.000 -44.521 18.679 5.541 -99.200 -91.000 HIS 216 0.900 -29.646 23.409 5.116 -99.200 -91.000 HIS 218 0.900 -34.743 21.328 5.535 -99.200 -91.000 PHE 227 1.000 -37.929 30.804 12.502 -99.200 -91.000 PHE 234 1.000 -34.942 37.081 18.897 -99.200 -91.000 PHE 237 1.000 -24.851 40.352 7.485 -99.200 -91.000 PHE 238 1.000 -26.824 36.244 4.098 -99.200 -91.000 TYR 239 0.840 -36.018 33.640 6.738 -99.200 -91.000 TYR 269 0.840 -28.680 24.662 -10.347 -99.200 -91.000 TRP 272 1.040 -30.301 31.740 -20.314 -99.200 -91.000 TRP6 272 1.020 -27.966 31.573 -20.720 -99.200 -91.000 PHE 274 1.000 -28.064 32.917 -9.298 -99.200 -91.000 PHE 277 1.000 -35.000 33.254 -8.092 -99.200 -91.000 PHE 296 1.000 -12.448 30.108 -10.995 -99.200 -91.000 PHE 299 1.000 -19.075 33.667 -8.166 -99.200 -91.000 HIS 307 0.900 -21.817 46.442 -8.654 -99.200 -91.000 PHE 309 1.000 -31.203 43.767 -12.169 -99.200 -91.000 HIS 316 0.900 -23.504 25.899 -1.526 -99.200 -91.000 HIS 329 0.900 -7.563 32.058 -6.871 -99.200 -91.000 PHE 337 1.000 -16.768 38.603 -0.140 -99.200 -91.000 HIS 340 0.900 -15.324 31.820 1.553 -99.200 -91.000 HIS 342 0.900 -13.752 27.649 6.729 -99.200 -91.000 HIS 343 0.900 -19.478 23.953 5.244 -99.200 -91.000 TYR 351 0.840 -15.406 16.823 2.505 -99.200 -91.000 HIS 357 0.900 -1.189 23.595 -1.704 -99.200 -91.000 TYR 359 0.840 -5.108 27.544 0.052 -99.200 -91.000 TYR 366 0.840 -10.848 31.064 3.853 -99.200 -91.000 TYR 383 0.840 -4.747 9.396 -9.546 -99.200 -91.000 TYR 388 0.840 -8.571 7.103 -12.711 -99.200 -91.000